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 3nvy_1_C 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 DKFTTLCVTG DATA SEQUENCE APGNCK 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 0.000 176.251 176.300 -0.081 0.000 2.045 571 D CA 0.000 53.951 54.000 -0.082 0.000 0.868 571 D CB 0.000 40.746 40.800 -0.089 0.000 0.688 572 T N -0.669 113.836 114.554 -0.081 0.000 3.086 572 T HA 0.209 4.548 4.350 -0.019 0.000 0.250 572 T C 0.898 175.552 174.700 -0.077 0.000 1.074 572 T CA -0.040 62.021 62.100 -0.065 0.000 0.988 572 T CB 0.036 68.875 68.868 -0.048 0.000 0.988 572 T HN 0.131 nan 8.240 nan 0.000 0.530 573 V N 2.323 122.165 119.914 -0.120 0.000 2.540 573 V HA 0.445 4.553 4.120 -0.019 0.000 0.297 573 V C 1.693 177.728 176.094 -0.099 0.000 1.024 573 V CA 1.242 63.461 62.300 -0.134 0.000 1.105 573 V CB -0.190 31.471 31.823 -0.270 0.000 0.938 573 V HN 0.854 nan 8.190 nan 0.000 0.482 574 G N 4.645 113.408 108.800 -0.062 0.000 2.175 574 G HA2 -0.224 3.725 3.960 -0.019 0.000 0.244 574 G HA3 -0.224 3.725 3.960 -0.019 0.000 0.244 574 G C 0.177 175.057 174.900 -0.034 0.000 0.982 574 G CA -0.001 45.073 45.100 -0.043 0.000 0.641 574 G HN 0.621 nan 8.290 nan 0.000 0.527 575 R N 0.981 121.460 120.500 -0.036 0.000 2.428 575 R HA 0.537 4.865 4.340 -0.019 0.000 0.294 575 R C -2.055 174.234 176.300 -0.018 0.000 1.000 575 R CA -1.853 54.231 56.100 -0.027 0.000 0.960 575 R CB 1.105 31.388 30.300 -0.029 0.000 1.076 575 R HN 0.034 nan 8.270 nan 0.000 0.475 576 P HA -0.000 nan 4.420 nan 0.000 0.225 576 P C -0.759 176.542 177.300 0.001 0.000 1.768 576 P CA -0.195 62.901 63.100 -0.005 0.000 0.943 576 P CB -0.022 31.675 31.700 -0.005 0.000 1.936 577 L N 2.878 124.100 121.223 -0.001 0.000 2.410 577 L HA 0.310 4.638 4.340 -0.019 0.000 0.273 577 L C -2.269 174.613 176.870 0.021 0.000 1.144 577 L CA -1.834 53.009 54.840 0.005 0.000 0.863 577 L CB -0.391 41.664 42.059 -0.006 0.000 1.140 577 L HN -0.007 nan 8.230 nan 0.000 0.463 578 P HA -0.039 nan 4.420 nan 0.000 0.267 578 P C -0.747 176.608 177.300 0.091 0.000 1.200 578 P CA -0.024 63.116 63.100 0.067 0.000 0.772 578 P CB 0.194 31.934 31.700 0.066 0.000 0.855 579 H N 2.843 121.925 119.070 0.021 0.000 3.209 579 H HA -0.096 4.449 4.556 -0.019 0.000 0.297 579 H C 1.065 176.410 175.328 0.028 0.000 0.936 579 H CA 0.820 56.883 56.048 0.024 0.000 1.392 579 H CB 0.371 30.149 29.762 0.027 0.000 1.349 579 H HN 0.386 nan 8.280 nan 0.000 0.568 580 L N 4.418 125.649 121.223 0.013 0.000 2.191 580 L HA -0.139 4.189 4.340 -0.019 0.000 0.212 580 L C 2.365 179.330 176.870 0.159 0.000 1.103 580 L CA 1.278 56.159 54.840 0.067 0.000 0.769 580 L CB -0.235 41.823 42.059 -0.002 0.000 0.908 580 L HN 0.619 nan 8.230 nan 0.000 0.438 581 A N -0.620 122.397 122.820 0.328 0.000 2.307 581 A HA 0.372 4.680 4.320 -0.019 0.000 0.218 581 A C 2.307 179.981 177.584 0.151 0.000 1.228 581 A CA 0.691 52.862 52.037 0.224 0.000 0.857 581 A CB -0.236 18.894 19.000 0.216 0.000 0.897 581 A HN 0.290 nan 8.150 nan 0.000 0.495 582 A N 0.263 123.183 122.820 0.167 0.000 1.902 582 A HA 0.157 4.465 4.320 -0.019 0.000 0.217 582 A C 2.407 180.025 177.584 0.057 0.000 1.181 582 A CA 1.788 53.865 52.037 0.067 0.000 0.623 582 A CB -0.779 18.271 19.000 0.084 0.000 0.818 582 A HN 0.979 nan 8.150 nan 0.000 0.443 583 A N -0.635 122.224 122.820 0.066 0.000 1.933 583 A HA -0.095 4.214 4.320 -0.019 0.000 0.218 583 A C 2.243 179.857 177.584 0.050 0.000 1.175 583 A CA 1.767 53.835 52.037 0.052 0.000 0.628 583 A CB -0.498 18.531 19.000 0.049 0.000 0.814 583 A HN 0.526 nan 8.150 nan 0.000 0.444 584 M N -1.061 118.571 119.600 0.054 0.000 2.254 584 M HA -0.170 4.298 4.480 -0.019 0.000 0.265 584 M C 2.347 178.679 176.300 0.054 0.000 1.066 584 M CA 1.324 56.652 55.300 0.047 0.000 1.123 584 M CB -0.307 32.317 32.600 0.041 0.000 1.388 584 M HN 0.497 nan 8.290 nan 0.000 0.425 585 Q N 0.120 119.955 119.800 0.060 0.000 2.079 585 Q HA -0.097 4.232 4.340 -0.019 0.000 0.200 585 Q C 2.173 178.223 176.000 0.083 0.000 0.974 585 Q CA 1.652 57.510 55.803 0.091 0.000 0.840 585 Q CB -0.278 28.505 28.738 0.076 0.000 0.898 585 Q HN 0.568 nan 8.270 nan 0.000 0.430 586 A N 0.852 123.708 122.820 0.060 0.000 2.066 586 A HA -0.114 4.194 4.320 -0.019 0.000 0.218 586 A C 2.088 179.703 177.584 0.051 0.000 1.157 586 A CA 1.428 53.498 52.037 0.055 0.000 0.670 586 A CB -0.261 18.767 19.000 0.046 0.000 0.804 586 A HN 0.398 nan 8.150 nan 0.000 0.453 587 S N -2.199 113.531 115.700 0.050 0.000 2.548 587 S HA 0.387 4.845 4.470 -0.019 0.000 0.215 587 S C 1.370 175.999 174.600 0.048 0.000 0.976 587 S CA 0.900 59.125 58.200 0.042 0.000 0.908 587 S CB -0.183 63.038 63.200 0.035 0.000 0.781 587 S HN 1.810 nan 8.310 nan 0.000 0.519 588 G N 1.276 110.116 108.800 0.066 0.000 2.153 588 G HA2 -0.275 3.673 3.960 -0.019 0.000 0.252 588 G HA3 -0.275 3.673 3.960 -0.019 0.000 0.252 588 G C 0.413 175.355 174.900 0.070 0.000 0.994 588 G CA 0.518 45.665 45.100 0.079 0.000 0.698 588 G HN 0.585 nan 8.290 nan 0.000 0.521 589 E N -0.266 119.967 120.200 0.054 0.000 2.364 589 E HA 0.411 4.749 4.350 -0.019 0.000 0.196 589 E C 1.731 178.336 176.600 0.009 0.000 0.990 589 E CA 0.328 56.745 56.400 0.030 0.000 0.886 589 E CB 0.276 29.990 29.700 0.022 0.000 0.866 589 E HN 0.742 nan 8.360 nan 0.000 0.493 590 A N 1.643 124.467 122.820 0.005 0.000 2.488 590 A HA 0.198 4.507 4.320 -0.019 0.000 0.249 590 A C 0.124 177.600 177.584 -0.181 0.000 1.083 590 A CA -0.096 51.879 52.037 -0.105 0.000 0.768 590 A CB 0.331 19.247 19.000 -0.141 0.000 1.017 590 A HN -0.005 nan 8.150 nan 0.000 0.496 591 V N 4.196 123.965 119.914 -0.241 0.000 2.407 591 V HA 0.315 4.423 4.120 -0.019 0.000 0.278 591 V C -0.470 175.409 176.094 -0.358 0.000 1.037 591 V CA -0.104 62.091 62.300 -0.176 0.000 0.900 591 V CB 0.085 31.843 31.823 -0.109 0.000 0.983 591 V HN 0.766 nan 8.190 nan 0.000 0.459 592 Y N 1.783 122.078 120.300 -0.009 0.000 2.519 592 Y HA 0.327 4.865 4.550 -0.019 0.000 0.324 592 Y C 1.580 177.471 175.900 -0.016 0.000 1.214 592 Y CA -0.316 57.778 58.100 -0.010 0.000 1.260 592 Y CB 0.656 39.110 38.460 -0.010 0.000 1.311 592 Y HN 0.653 nan 8.280 nan 0.000 0.505 593 C N 0.576 119.966 119.300 0.150 0.000 2.376 593 C HA -0.256 4.193 4.460 -0.019 0.000 0.275 593 C C 2.415 177.438 174.990 0.056 0.000 1.200 593 C CA 2.449 61.517 59.018 0.083 0.000 1.756 593 C CB -0.879 26.917 27.740 0.093 0.000 2.050 593 C HN 1.065 nan 8.230 nan 0.000 0.460 594 D N -0.321 120.128 120.400 0.083 0.000 2.347 594 D HA -0.048 4.580 4.640 -0.019 0.000 0.215 594 D C 1.513 177.848 176.300 0.058 0.000 0.976 594 D CA 0.832 54.875 54.000 0.072 0.000 0.884 594 D CB -0.317 40.532 40.800 0.082 0.000 0.915 594 D HN 0.547 nan 8.370 nan 0.000 0.526 595 D N -0.259 120.179 120.400 0.063 0.000 2.277 595 D HA -0.008 4.620 4.640 -0.019 0.000 0.208 595 D C 0.690 176.976 176.300 -0.024 0.000 0.962 595 D CA 0.134 54.159 54.000 0.042 0.000 0.865 595 D CB 0.048 40.899 40.800 0.085 0.000 0.939 595 D HN 0.350 nan 8.370 nan 0.000 0.510 596 I N 2.395 122.922 120.570 -0.072 0.000 2.845 596 I HA -0.048 4.110 4.170 -0.019 0.000 0.296 596 I C -1.898 174.128 176.117 -0.152 0.000 1.216 596 I CA -1.187 60.011 61.300 -0.169 0.000 1.438 596 I CB 0.063 37.879 38.000 -0.307 0.000 1.342 596 I HN -0.257 nan 8.210 nan 0.000 0.577 597 P HA 0.126 nan 4.420 nan 0.000 0.269 597 P C -0.998 176.171 177.300 -0.218 0.000 1.209 597 P CA -0.187 62.813 63.100 -0.166 0.000 0.776 597 P CB 0.496 32.081 31.700 -0.192 0.000 0.876 598 R N 1.691 122.114 120.500 -0.128 0.000 2.410 598 R HA 0.318 4.647 4.340 -0.019 0.000 0.288 598 R C -0.202 176.011 176.300 -0.145 0.000 1.051 598 R CA -0.342 55.698 56.100 -0.100 0.000 1.021 598 R CB 0.025 30.348 30.300 0.037 0.000 1.032 598 R HN 0.444 nan 8.270 nan 0.000 0.481 599 Y N 1.916 122.193 120.300 -0.038 0.000 2.578 599 Y HA -0.141 4.397 4.550 -0.019 0.000 0.339 599 Y C 1.805 177.701 175.900 -0.006 0.000 1.231 599 Y CA 0.360 58.444 58.100 -0.027 0.000 1.461 599 Y CB 0.658 39.097 38.460 -0.035 0.000 1.323 599 Y HN 0.727 nan 8.280 nan 0.000 0.590 600 E N 0.573 120.876 120.200 0.172 0.000 2.169 600 E HA -0.342 3.996 4.350 -0.019 0.000 0.202 600 E C 0.642 177.310 176.600 0.113 0.000 1.016 600 E CA 1.864 58.331 56.400 0.111 0.000 0.817 600 E CB -0.356 29.394 29.700 0.084 0.000 0.736 600 E HN 0.723 nan 8.360 nan 0.000 0.462 601 N N 0.944 119.709 118.700 0.109 0.000 2.235 601 N HA 0.013 4.741 4.740 -0.019 0.000 0.209 601 N C -0.377 175.240 175.510 0.178 0.000 1.122 601 N CA -0.075 53.040 53.050 0.109 0.000 0.845 601 N CB 0.227 38.663 38.487 -0.085 0.000 1.004 601 N HN 0.265 nan 8.380 nan 0.000 0.499 602 E N 1.065 121.337 120.200 0.121 0.000 2.344 602 E HA 0.200 4.538 4.350 -0.019 0.000 0.270 602 E C -0.454 176.082 176.600 -0.105 0.000 1.021 602 E CA -0.314 56.092 56.400 0.009 0.000 0.887 602 E CB 0.634 30.304 29.700 -0.050 0.000 0.997 602 E HN 0.221 nan 8.360 nan 0.000 0.429 603 L N 3.586 124.714 121.223 -0.159 0.000 2.376 603 L HA 0.509 4.838 4.340 -0.019 0.000 0.267 603 L C -0.535 176.059 176.870 -0.459 0.000 1.035 603 L CA -0.965 53.783 54.840 -0.154 0.000 0.800 603 L CB 0.694 42.708 42.059 -0.074 0.000 1.290 603 L HN 0.529 nan 8.230 nan 0.000 0.462 604 F N 0.837 120.800 119.950 0.021 0.000 2.540 604 F HA 0.572 5.088 4.527 -0.019 0.000 0.317 604 F C -0.211 175.597 175.800 0.014 0.000 1.104 604 F CA -0.502 57.513 58.000 0.025 0.000 0.913 604 F CB 1.860 40.875 39.000 0.026 0.000 1.170 604 F HN 0.168 nan 8.300 nan 0.000 0.450 605 L N 3.126 124.451 121.223 0.169 0.000 2.334 605 L HA 0.802 5.130 4.340 -0.019 0.000 0.273 605 L C -1.022 175.920 176.870 0.120 0.000 1.013 605 L CA -0.815 54.091 54.840 0.109 0.000 0.816 605 L CB 1.696 43.796 42.059 0.069 0.000 1.278 605 L HN 0.729 nan 8.230 nan 0.000 0.431 606 R N 3.778 124.336 120.500 0.095 0.000 2.532 606 R HA 0.543 4.872 4.340 -0.019 0.000 0.297 606 R C -1.522 174.829 176.300 0.085 0.000 0.984 606 R CA -0.455 55.696 56.100 0.085 0.000 0.884 606 R CB 1.329 31.668 30.300 0.065 0.000 1.182 606 R HN 0.697 nan 8.270 nan 0.000 0.442 607 L N 3.835 125.115 121.223 0.095 0.000 2.456 607 L HA 0.260 4.588 4.340 -0.019 0.000 0.272 607 L C -0.246 176.697 176.870 0.123 0.000 1.189 607 L CA -0.395 54.514 54.840 0.116 0.000 0.846 607 L CB 0.954 43.089 42.059 0.127 0.000 1.111 607 L HN 0.327 nan 8.230 nan 0.000 0.475 608 V N 2.483 122.480 119.914 0.138 0.000 2.435 608 V HA 0.436 4.544 4.120 -0.019 0.000 0.290 608 V C 0.183 176.384 176.094 0.179 0.000 1.030 608 V CA -0.281 62.127 62.300 0.181 0.000 0.881 608 V CB 1.705 33.702 31.823 0.290 0.000 0.983 608 V HN 0.793 nan 8.190 nan 0.000 0.445 609 T N 2.766 117.429 114.554 0.180 0.000 2.900 609 T HA 0.315 4.653 4.350 -0.019 0.000 0.295 609 T C -0.152 174.673 174.700 0.208 0.000 1.044 609 T CA -0.271 61.940 62.100 0.185 0.000 0.995 609 T CB 1.801 70.767 68.868 0.163 0.000 1.072 609 T HN 0.712 nan 8.240 nan 0.000 0.473 610 S N 1.078 116.913 115.700 0.226 0.000 2.552 610 S HA 0.103 4.562 4.470 -0.019 0.000 0.289 610 S C 1.387 176.075 174.600 0.147 0.000 1.304 610 S CA 0.240 58.589 58.200 0.248 0.000 1.063 610 S CB 0.198 63.538 63.200 0.234 0.000 0.848 610 S HN 0.864 nan 8.310 nan 0.000 0.499 611 T N 2.774 117.375 114.554 0.078 0.000 3.105 611 T HA 0.362 4.700 4.350 -0.019 0.000 0.253 611 T C 0.318 174.904 174.700 -0.190 0.000 1.047 611 T CA -0.441 61.645 62.100 -0.025 0.000 0.944 611 T CB 0.053 68.947 68.868 0.043 0.000 1.016 611 T HN 0.394 nan 8.240 nan 0.000 0.544 612 R N 0.334 120.644 120.500 -0.317 0.000 2.670 612 R HA 0.762 5.091 4.340 -0.019 0.000 0.289 612 R C 1.029 177.274 176.300 -0.091 0.000 0.965 612 R CA -0.254 55.669 56.100 -0.296 0.000 0.899 612 R CB 1.383 31.350 30.300 -0.554 0.000 1.173 612 R HN 0.145 nan 8.270 nan 0.000 0.456 613 A N 1.133 123.929 122.820 -0.040 0.000 1.930 613 A HA -0.133 4.176 4.320 -0.019 0.000 0.217 613 A C 0.258 177.907 177.584 0.109 0.000 1.175 613 A CA 1.592 53.639 52.037 0.018 0.000 0.627 613 A CB -0.191 18.808 19.000 -0.001 0.000 0.815 613 A HN 0.643 nan 8.150 nan 0.000 0.443 614 H N -2.159 116.893 119.070 -0.030 0.000 3.235 614 H HA 0.606 5.151 4.556 -0.019 0.000 0.324 614 H C -0.913 174.423 175.328 0.013 0.000 1.059 614 H CA -0.435 55.618 56.048 0.008 0.000 1.497 614 H CB 0.502 30.261 29.762 -0.004 0.000 1.986 614 H HN 0.473 nan 8.280 nan 0.000 0.444 615 A N 3.971 126.840 122.820 0.082 0.000 2.610 615 A HA 0.589 4.897 4.320 -0.019 0.000 0.291 615 A C -1.215 176.427 177.584 0.096 0.000 1.086 615 A CA -1.001 51.048 52.037 0.019 0.000 0.677 615 A CB 1.508 20.555 19.000 0.079 0.000 1.278 615 A HN 0.462 nan 8.150 nan 0.000 0.414 616 K N 0.721 121.166 120.400 0.075 0.000 2.205 616 K HA 0.535 4.843 4.320 -0.019 0.000 0.279 616 K C -0.898 175.772 176.600 0.118 0.000 1.027 616 K CA -0.071 56.264 56.287 0.079 0.000 0.932 616 K CB 1.040 33.558 32.500 0.031 0.000 1.032 616 K HN 0.530 nan 8.250 nan 0.000 0.466 617 I N 4.160 124.774 120.570 0.074 0.000 2.337 617 I HA 0.040 4.198 4.170 -0.019 0.000 0.291 617 I C 1.045 177.134 176.117 -0.047 0.000 1.046 617 I CA -0.174 61.115 61.300 -0.018 0.000 1.324 617 I CB 0.778 38.764 38.000 -0.023 0.000 1.409 617 I HN 0.432 nan 8.210 nan 0.000 0.494 618 K N 3.442 123.788 120.400 -0.091 0.000 2.335 618 K HA 0.192 4.501 4.320 -0.019 0.000 0.195 618 K C 0.291 176.837 176.600 -0.090 0.000 1.058 618 K CA 0.392 56.639 56.287 -0.067 0.000 0.988 618 K CB 0.384 32.856 32.500 -0.047 0.000 0.880 618 K HN 0.748 nan 8.250 nan 0.000 0.513 619 S N -0.458 115.157 115.700 -0.143 0.000 2.558 619 S HA 0.551 5.009 4.470 -0.019 0.000 0.277 619 S C -1.164 173.322 174.600 -0.189 0.000 1.143 619 S CA -0.999 57.119 58.200 -0.138 0.000 0.865 619 S CB 0.866 63.996 63.200 -0.116 0.000 1.102 619 S HN -0.008 nan 8.310 nan 0.000 0.454 620 I N 2.250 122.711 120.570 -0.182 0.000 2.436 620 I HA 0.485 4.644 4.170 -0.019 0.000 0.289 620 I C -1.233 174.719 176.117 -0.274 0.000 1.010 620 I CA -0.309 60.841 61.300 -0.250 0.000 1.098 620 I CB 1.907 39.737 38.000 -0.283 0.000 1.266 620 I HN 0.725 nan 8.210 nan 0.000 0.434 621 D N 5.655 125.894 120.400 -0.268 0.000 2.425 621 D HA 0.343 4.971 4.640 -0.019 0.000 0.240 621 D C 0.260 176.393 176.300 -0.278 0.000 1.080 621 D CA -0.500 53.360 54.000 -0.233 0.000 0.836 621 D CB 2.010 42.714 40.800 -0.161 0.000 1.125 621 D HN 0.316 nan 8.370 nan 0.000 0.525 622 V N 1.686 121.419 119.914 -0.302 0.000 3.427 622 V HA 0.152 4.260 4.120 -0.019 0.000 0.305 622 V C 1.553 177.471 176.094 -0.293 0.000 1.412 622 V CA 0.673 62.770 62.300 -0.338 0.000 1.086 622 V CB -0.355 31.236 31.823 -0.386 0.000 0.964 622 V HN 0.461 nan 8.190 nan 0.000 0.439 623 S N 0.720 116.291 115.700 -0.216 0.000 2.368 623 S HA -0.175 4.284 4.470 -0.019 0.000 0.225 623 S C 1.732 176.217 174.600 -0.191 0.000 1.030 623 S CA 1.537 59.628 58.200 -0.182 0.000 0.999 623 S CB -0.459 62.665 63.200 -0.126 0.000 0.844 623 S HN 0.604 nan 8.310 nan 0.000 0.459 624 E N 1.788 121.886 120.200 -0.171 0.000 2.208 624 E HA 0.161 4.500 4.350 -0.019 0.000 0.193 624 E C 2.329 178.812 176.600 -0.195 0.000 0.988 624 E CA 0.998 57.311 56.400 -0.145 0.000 0.828 624 E CB -0.605 29.039 29.700 -0.093 0.000 0.763 624 E HN 0.674 nan 8.360 nan 0.000 0.478 625 A N 1.043 123.695 122.820 -0.279 0.000 1.929 625 A HA -0.164 4.144 4.320 -0.019 0.000 0.216 625 A C 2.056 179.189 177.584 -0.752 0.000 1.176 625 A CA 0.986 52.798 52.037 -0.375 0.000 0.628 625 A CB -0.414 18.395 19.000 -0.319 0.000 0.816 625 A HN 0.167 nan 8.150 nan 0.000 0.444 626 Q N -0.317 118.954 119.800 -0.882 0.000 2.368 626 Q HA -0.151 4.178 4.340 -0.019 0.000 0.210 626 Q C 1.403 177.200 176.000 -0.337 0.000 0.982 626 Q CA 1.424 56.733 55.803 -0.823 0.000 0.884 626 Q CB -0.138 28.332 28.738 -0.448 0.000 0.933 626 Q HN 0.633 nan 8.270 nan 0.000 0.460 627 K N -0.289 119.962 120.400 -0.247 0.000 2.426 627 K HA 0.092 4.400 4.320 -0.019 0.000 0.193 627 K C -0.097 176.449 176.600 -0.089 0.000 1.028 627 K CA -0.079 56.133 56.287 -0.125 0.000 1.047 627 K CB 0.723 33.163 32.500 -0.100 0.000 0.821 627 K HN -0.060 nan 8.250 nan 0.000 0.513 628 V N 3.772 123.629 119.914 -0.096 0.000 2.555 628 V HA 0.072 4.181 4.120 -0.019 0.000 0.286 628 V C -2.221 173.826 176.094 -0.078 0.000 1.044 628 V CA -1.772 60.494 62.300 -0.057 0.000 1.026 628 V CB 0.556 32.382 31.823 0.006 0.000 0.981 628 V HN 0.033 nan 8.190 nan 0.000 0.480 629 P HA 0.215 nan 4.420 nan 0.000 0.265 629 P C 0.919 177.976 177.300 -0.406 0.000 1.193 629 P CA 1.288 64.225 63.100 -0.271 0.000 0.765 629 P CB 0.567 32.058 31.700 -0.349 0.000 0.823 630 G N 2.226 110.953 108.800 -0.122 0.000 2.176 630 G HA2 -0.291 3.657 3.960 -0.019 0.000 0.253 630 G HA3 -0.291 3.657 3.960 -0.019 0.000 0.253 630 G C 0.093 175.049 174.900 0.095 0.000 0.979 630 G CA -0.431 44.680 45.100 0.018 0.000 0.641 630 G HN 0.549 nan 8.290 nan 0.000 0.530 631 F N 1.030 120.962 119.950 -0.030 0.000 2.572 631 F HA 0.457 4.973 4.527 -0.019 0.000 0.370 631 F C 1.269 177.078 175.800 0.015 0.000 1.103 631 F CA 0.822 58.828 58.000 0.011 0.000 1.286 631 F CB 1.077 40.078 39.000 0.001 0.000 1.105 631 F HN -0.078 nan 8.300 nan 0.000 0.583 632 V N 4.374 123.839 119.914 -0.748 0.000 2.735 632 V HA 0.100 4.208 4.120 -0.019 0.000 0.234 632 V C 0.266 175.929 176.094 -0.719 0.000 1.121 632 V CA 1.090 63.080 62.300 -0.516 0.000 1.160 632 V CB 0.592 32.216 31.823 -0.332 0.000 0.908 632 V HN 1.024 nan 8.190 nan 0.000 0.495 633 C N -1.896 116.807 119.300 -0.995 0.000 3.312 633 C HA 0.694 5.142 4.460 -0.019 0.000 0.332 633 C C -1.144 173.693 174.990 -0.255 0.000 1.340 633 C CA -1.375 57.328 59.018 -0.525 0.000 1.265 633 C CB 0.807 28.438 27.740 -0.183 0.000 1.563 633 C HN 0.332 nan 8.230 nan 0.000 0.471 634 F N 1.799 121.797 119.950 0.080 0.000 2.420 634 F HA 0.814 5.330 4.527 -0.019 0.000 0.342 634 F C -0.664 175.114 175.800 -0.036 0.000 1.113 634 F CA -0.944 57.109 58.000 0.089 0.000 1.059 634 F CB 0.799 39.903 39.000 0.174 0.000 1.128 634 F HN 0.672 nan 8.300 nan 0.000 0.475 635 L N 5.892 126.639 121.223 -0.794 0.000 2.325 635 L HA 0.665 4.993 4.340 -0.019 0.000 0.278 635 L C -0.198 175.933 176.870 -1.231 0.000 1.023 635 L CA -0.474 53.960 54.840 -0.678 0.000 0.811 635 L CB 1.745 43.565 42.059 -0.399 0.000 1.249 635 L HN 0.823 nan 8.230 nan 0.000 0.431 636 S N 0.951 116.216 115.700 -0.724 0.000 2.819 636 S HA 0.610 5.068 4.470 -0.019 0.000 0.299 636 S C 0.640 175.135 174.600 -0.175 0.000 1.192 636 S CA -0.080 57.685 58.200 -0.724 0.000 0.847 636 S CB 1.237 64.324 63.200 -0.187 0.000 1.224 636 S HN 0.575 nan 8.310 nan 0.000 0.537 637 A N 0.850 123.703 122.820 0.054 0.000 1.940 637 A HA -0.090 4.219 4.320 -0.019 0.000 0.219 637 A C 1.546 179.202 177.584 0.120 0.000 1.176 637 A CA 2.084 54.246 52.037 0.208 0.000 0.631 637 A CB -1.378 17.718 19.000 0.159 0.000 0.814 637 A HN 0.800 nan 8.150 nan 0.000 0.446 638 D N 0.283 120.726 120.400 0.073 0.000 2.265 638 D HA -0.112 4.516 4.640 -0.019 0.000 0.208 638 D C 0.980 177.320 176.300 0.068 0.000 0.977 638 D CA 1.102 55.139 54.000 0.062 0.000 0.871 638 D CB -0.287 40.545 40.800 0.053 0.000 0.925 638 D HN 0.508 nan 8.370 nan 0.000 0.485 639 D N 0.021 120.468 120.400 0.078 0.000 2.323 639 D HA 0.026 4.654 4.640 -0.019 0.000 0.209 639 D C 0.856 177.224 176.300 0.114 0.000 0.973 639 D CA 0.015 54.073 54.000 0.096 0.000 0.874 639 D CB 0.894 41.741 40.800 0.078 0.000 0.930 639 D HN 0.259 nan 8.370 nan 0.000 0.521 640 I N 3.609 124.237 120.570 0.095 0.000 2.517 640 I HA -0.033 4.126 4.170 -0.019 0.000 0.285 640 I C -0.895 175.204 176.117 -0.031 0.000 1.106 640 I CA -1.049 60.267 61.300 0.026 0.000 1.402 640 I CB 1.176 39.193 38.000 0.029 0.000 1.399 640 I HN -0.146 nan 8.210 nan 0.000 0.535 641 P HA -0.010 nan 4.420 nan 0.000 0.222 641 P C 0.972 178.198 177.300 -0.123 0.000 1.153 641 P CA 0.833 63.848 63.100 -0.142 0.000 0.798 641 P CB 0.494 31.973 31.700 -0.370 0.000 0.796 642 G N -0.554 108.159 108.800 -0.146 0.000 2.534 642 G HA2 0.204 4.152 3.960 -0.019 0.000 0.224 642 G HA3 0.204 4.152 3.960 -0.019 0.000 0.224 642 G C -0.223 174.631 174.900 -0.077 0.000 1.822 642 G CA 0.271 45.307 45.100 -0.107 0.000 0.805 642 G HN 0.365 nan 8.290 nan 0.000 0.649 643 S N -0.594 115.055 115.700 -0.087 0.000 2.547 643 S HA 0.391 4.849 4.470 -0.019 0.000 0.281 643 S C -0.226 174.323 174.600 -0.084 0.000 1.118 643 S CA -0.612 57.543 58.200 -0.075 0.000 0.947 643 S CB 1.774 64.924 63.200 -0.084 0.000 1.053 643 S HN 0.232 nan 8.310 nan 0.000 0.482 644 N N 2.816 121.481 118.700 -0.059 0.000 2.322 644 N HA 0.138 4.866 4.740 -0.019 0.000 0.194 644 N C -0.516 174.949 175.510 -0.074 0.000 1.126 644 N CA 0.153 53.168 53.050 -0.057 0.000 0.845 644 N CB 0.282 38.769 38.487 -0.001 0.000 0.976 644 N HN 0.686 nan 8.380 nan 0.000 0.475 645 E N -0.245 119.901 120.200 -0.091 0.000 2.146 645 E HA 0.276 4.614 4.350 -0.019 0.000 0.282 645 E C -0.533 175.951 176.600 -0.194 0.000 0.989 645 E CA -0.251 56.088 56.400 -0.103 0.000 0.799 645 E CB 1.699 31.355 29.700 -0.073 0.000 1.088 645 E HN 0.013 nan 8.360 nan 0.000 0.397 646 T N 1.401 115.818 114.554 -0.229 0.000 2.654 646 T HA 0.752 5.090 4.350 -0.019 0.000 0.289 646 T C -0.701 173.768 174.700 -0.385 0.000 1.062 646 T CA 0.296 62.131 62.100 -0.441 0.000 1.041 646 T CB 1.448 70.069 68.868 -0.411 0.000 1.417 646 T HN 0.803 nan 8.240 nan 0.000 0.510 647 G N 0.429 108.903 108.800 -0.543 0.000 2.699 647 G HA2 -0.022 3.927 3.960 -0.019 0.000 0.686 647 G HA3 -0.022 3.927 3.960 -0.019 0.000 0.686 647 G C 0.207 175.091 174.900 -0.026 0.000 1.301 647 G CA -0.116 44.919 45.100 -0.108 0.000 0.816 647 G HN 1.072 nan 8.290 nan 0.000 0.595 648 L N -0.043 121.296 121.223 0.193 0.000 2.079 648 L HA 0.266 4.594 4.340 -0.019 0.000 0.210 648 L C 1.990 178.670 176.870 -0.317 0.000 1.081 648 L CA 2.317 57.189 54.840 0.053 0.000 0.752 648 L CB -0.478 41.586 42.059 0.009 0.000 0.896 648 L HN 0.558 nan 8.230 nan 0.000 0.433 649 F N -0.514 119.461 119.950 0.041 0.000 2.708 649 F HA 0.294 4.809 4.527 -0.019 0.000 0.300 649 F C 1.128 176.909 175.800 -0.031 0.000 1.118 649 F CA -0.427 57.574 58.000 0.001 0.000 1.307 649 F CB -0.425 38.560 39.000 -0.024 0.000 0.986 649 F HN 0.051 nan 8.300 nan 0.000 0.522 650 N N 1.742 120.450 118.700 0.013 0.000 2.725 650 N HA -0.194 4.534 4.740 -0.019 0.000 0.249 650 N C -0.126 175.386 175.510 0.003 0.000 1.103 650 N CA 1.223 54.248 53.050 -0.042 0.000 0.707 650 N CB -0.741 37.721 38.487 -0.042 0.000 1.043 650 N HN 0.523 nan 8.380 nan 0.000 0.553 651 D N -1.038 119.382 120.400 0.032 0.000 2.501 651 D HA 0.148 4.776 4.640 -0.019 0.000 0.224 651 D C 0.233 176.555 176.300 0.037 0.000 1.202 651 D CA 0.110 54.136 54.000 0.044 0.000 0.829 651 D CB 0.227 41.059 40.800 0.052 0.000 1.023 651 D HN 0.357 nan 8.370 nan 0.000 0.499 652 E N -0.039 120.167 120.200 0.011 0.000 2.281 652 E HA 0.517 4.856 4.350 -0.019 0.000 0.262 652 E C -0.308 176.305 176.600 0.021 0.000 0.933 652 E CA -0.920 55.498 56.400 0.030 0.000 0.809 652 E CB 1.639 31.346 29.700 0.012 0.000 1.242 652 E HN 0.139 nan 8.360 nan 0.000 0.418 653 T N -2.324 112.276 114.554 0.077 0.000 2.925 653 T HA 0.268 4.607 4.350 -0.019 0.000 0.285 653 T C 1.037 175.721 174.700 -0.027 0.000 1.021 653 T CA -0.835 61.284 62.100 0.032 0.000 1.042 653 T CB 1.356 70.273 68.868 0.081 0.000 1.037 653 T HN 0.155 nan 8.240 nan 0.000 0.481 654 V N 0.141 119.979 119.914 -0.128 0.000 2.270 654 V HA 0.115 4.224 4.120 -0.019 0.000 0.245 654 V C 0.360 176.218 176.094 -0.394 0.000 1.043 654 V CA 1.210 63.318 62.300 -0.321 0.000 1.014 654 V CB -0.712 30.837 31.823 -0.455 0.000 0.645 654 V HN 0.838 nan 8.190 nan 0.000 0.447 655 F N -0.825 119.113 119.950 -0.020 0.000 2.518 655 F HA 0.700 5.216 4.527 -0.019 0.000 0.323 655 F C 0.331 176.100 175.800 -0.053 0.000 1.129 655 F CA -0.912 57.064 58.000 -0.040 0.000 0.920 655 F CB 1.189 40.161 39.000 -0.048 0.000 1.160 655 F HN 0.019 nan 8.300 nan 0.000 0.440 656 A N 3.770 126.627 122.820 0.063 0.000 2.511 656 A HA 0.167 4.476 4.320 -0.019 0.000 0.242 656 A C 0.817 178.418 177.584 0.027 0.000 1.069 656 A CA 0.045 52.039 52.037 -0.073 0.000 0.763 656 A CB 0.632 19.404 19.000 -0.379 0.000 1.001 656 A HN 1.024 nan 8.150 nan 0.000 0.498 657 K N 0.149 120.574 120.400 0.043 0.000 2.214 657 K HA 0.039 4.348 4.320 -0.019 0.000 0.210 657 K C 0.466 177.091 176.600 0.042 0.000 1.036 657 K CA 0.837 57.154 56.287 0.051 0.000 0.958 657 K CB 0.239 32.773 32.500 0.057 0.000 0.973 657 K HN 0.814 nan 8.250 nan 0.000 0.466 658 D N -0.118 120.312 120.400 0.050 0.000 2.423 658 D HA -0.011 4.618 4.640 -0.019 0.000 0.212 658 D C 0.199 176.540 176.300 0.068 0.000 1.060 658 D CA 0.532 54.561 54.000 0.048 0.000 0.872 658 D CB 1.122 41.951 40.800 0.047 0.000 1.012 658 D HN 0.294 nan 8.370 nan 0.000 0.503 659 T N -0.724 113.886 114.554 0.094 0.000 2.952 659 T HA 0.492 4.831 4.350 -0.019 0.000 0.305 659 T C -0.462 174.350 174.700 0.188 0.000 1.064 659 T CA -0.878 61.309 62.100 0.145 0.000 1.008 659 T CB 2.310 71.278 68.868 0.167 0.000 1.078 659 T HN -0.104 nan 8.240 nan 0.000 0.459 660 V N 1.039 121.108 119.914 0.257 0.000 2.630 660 V HA 0.862 4.970 4.120 -0.019 0.000 0.305 660 V C 0.742 177.108 176.094 0.454 0.000 1.046 660 V CA -0.169 62.352 62.300 0.368 0.000 0.934 660 V CB 1.238 33.247 31.823 0.310 0.000 1.003 660 V HN 1.214 nan 8.190 nan 0.000 0.451 661 T N -1.727 113.126 114.554 0.498 0.000 3.111 661 T HA 0.390 4.729 4.350 -0.019 0.000 0.284 661 T C 0.182 174.868 174.700 -0.024 0.000 0.983 661 T CA 0.382 62.550 62.100 0.112 0.000 0.900 661 T CB -0.658 68.190 68.868 -0.033 0.000 1.132 661 T HN 1.598 nan 8.240 nan 0.000 0.531 662 C N -1.355 117.982 119.300 0.060 0.000 3.307 662 C HA 0.713 5.162 4.460 -0.019 0.000 0.333 662 C C 1.350 176.396 174.990 0.094 0.000 1.291 662 C CA -0.727 58.305 59.018 0.023 0.000 1.273 662 C CB 0.789 28.504 27.740 -0.042 0.000 1.580 662 C HN 0.030 nan 8.230 nan 0.000 0.481 663 V N 2.167 122.116 119.914 0.059 0.000 2.282 663 V HA -0.065 4.043 4.120 -0.019 0.000 0.249 663 V C 2.491 178.652 176.094 0.111 0.000 1.057 663 V CA 2.980 65.320 62.300 0.068 0.000 1.032 663 V CB -1.061 30.787 31.823 0.042 0.000 0.645 663 V HN 1.247 nan 8.190 nan 0.000 0.447 664 G N -1.774 107.092 108.800 0.110 0.000 3.155 664 G HA2 -0.071 3.878 3.960 -0.019 0.000 0.213 664 G HA3 -0.071 3.878 3.960 -0.019 0.000 0.213 664 G C 0.401 175.419 174.900 0.197 0.000 1.196 664 G CA -0.264 44.917 45.100 0.134 0.000 0.846 664 G HN 0.660 nan 8.290 nan 0.000 0.516 665 H N 0.278 119.408 119.070 0.100 0.000 2.848 665 H HA 0.237 4.782 4.556 -0.019 0.000 0.317 665 H C 0.093 175.506 175.328 0.143 0.000 1.046 665 H CA -0.891 55.224 56.048 0.112 0.000 1.470 665 H CB 0.617 30.447 29.762 0.114 0.000 1.483 665 H HN -0.001 nan 8.280 nan 0.000 0.548 666 I N 7.239 127.992 120.570 0.304 0.000 2.517 666 I HA -0.117 4.042 4.170 -0.019 0.000 0.285 666 I C 0.942 177.153 176.117 0.157 0.000 1.106 666 I CA 0.346 61.775 61.300 0.215 0.000 1.402 666 I CB 0.751 38.886 38.000 0.226 0.000 1.399 666 I HN 0.695 nan 8.210 nan 0.000 0.535 667 I N 4.515 125.182 120.570 0.160 0.000 3.172 667 I HA 0.277 4.435 4.170 -0.019 0.000 0.278 667 I C 1.229 177.348 176.117 0.004 0.000 1.174 667 I CA 0.293 61.657 61.300 0.106 0.000 1.445 667 I CB 0.189 38.263 38.000 0.122 0.000 1.175 667 I HN 0.749 nan 8.210 nan 0.000 0.447 668 G N 0.228 108.955 108.800 -0.123 0.000 2.494 668 G HA2 0.729 4.678 3.960 -0.019 0.000 0.308 668 G HA3 0.729 4.678 3.960 -0.019 0.000 0.308 668 G C -2.067 172.506 174.900 -0.545 0.000 1.263 668 G CA 0.144 44.709 45.100 -0.892 0.000 0.840 668 G HN 0.200 nan 8.290 nan 0.000 0.479 669 A N -1.264 121.054 122.820 -0.836 0.000 2.574 669 A HA 0.749 5.057 4.320 -0.019 0.000 0.297 669 A C -1.260 176.152 177.584 -0.287 0.000 1.062 669 A CA -0.429 51.432 52.037 -0.293 0.000 0.686 669 A CB 1.722 20.693 19.000 -0.049 0.000 1.285 669 A HN 1.472 nan 8.150 nan 0.000 0.403 670 V N 1.495 121.415 119.914 0.011 0.000 2.481 670 V HA 0.529 4.637 4.120 -0.019 0.000 0.286 670 V C -0.180 175.918 176.094 0.006 0.000 1.042 670 V CA -0.403 61.965 62.300 0.114 0.000 0.928 670 V CB 1.554 33.553 31.823 0.294 0.000 0.986 670 V HN 0.680 nan 8.190 nan 0.000 0.462 671 V N 3.873 123.714 119.914 -0.121 0.000 2.459 671 V HA 0.932 5.041 4.120 -0.019 0.000 0.295 671 V C 0.253 176.245 176.094 -0.169 0.000 1.029 671 V CA -0.120 62.105 62.300 -0.125 0.000 0.874 671 V CB 1.283 33.006 31.823 -0.167 0.000 0.985 671 V HN 1.098 nan 8.190 nan 0.000 0.438 672 A N 2.958 125.781 122.820 0.004 0.000 2.533 672 A HA 0.721 5.029 4.320 -0.019 0.000 0.293 672 A C 0.289 177.983 177.584 0.183 0.000 1.228 672 A CA 0.005 52.081 52.037 0.065 0.000 0.689 672 A CB 1.437 20.538 19.000 0.168 0.000 1.303 672 A HN 0.734 nan 8.150 nan 0.000 0.444 673 D N -0.623 119.908 120.400 0.219 0.000 2.333 673 D HA 0.089 4.718 4.640 -0.019 0.000 0.208 673 D C 0.647 177.134 176.300 0.312 0.000 0.984 673 D CA 1.463 55.623 54.000 0.267 0.000 0.873 673 D CB -0.087 40.840 40.800 0.211 0.000 0.935 673 D HN 0.721 nan 8.370 nan 0.000 0.521 674 T N -4.202 110.427 114.554 0.125 0.000 2.896 674 T HA 0.425 4.763 4.350 -0.019 0.000 0.297 674 T C -2.362 172.065 174.700 -0.456 0.000 1.108 674 T CA -1.596 60.289 62.100 -0.359 0.000 1.004 674 T CB 2.849 71.451 68.868 -0.443 0.000 1.159 674 T HN -0.350 nan 8.240 nan 0.000 0.499 675 P HA -0.018 nan 4.420 nan 0.000 0.219 675 P C 0.890 178.068 177.300 -0.203 0.000 1.150 675 P CA 1.063 63.917 63.100 -0.409 0.000 0.814 675 P CB 0.240 31.670 31.700 -0.450 0.000 0.787 676 E N -0.799 119.242 120.200 -0.265 0.000 2.077 676 E HA -0.183 4.155 4.350 -0.019 0.000 0.193 676 E C 2.149 178.718 176.600 -0.053 0.000 0.989 676 E CA 1.159 57.457 56.400 -0.170 0.000 0.800 676 E CB -0.857 28.698 29.700 -0.242 0.000 0.746 676 E HN 0.418 nan 8.360 nan 0.000 0.452 677 H N -0.340 118.715 119.070 -0.025 0.000 2.395 677 H HA 0.156 4.701 4.556 -0.019 0.000 0.299 677 H C 1.949 177.314 175.328 0.062 0.000 1.070 677 H CA 1.168 57.236 56.048 0.033 0.000 1.356 677 H CB -0.537 29.257 29.762 0.053 0.000 1.401 677 H HN 0.221 nan 8.280 nan 0.000 0.524 678 A N 1.020 123.933 122.820 0.156 0.000 1.902 678 A HA -0.214 4.094 4.320 -0.019 0.000 0.217 678 A C 2.393 180.018 177.584 0.069 0.000 1.181 678 A CA 1.824 53.941 52.037 0.133 0.000 0.623 678 A CB -0.442 18.634 19.000 0.126 0.000 0.818 678 A HN 0.520 nan 8.150 nan 0.000 0.443 679 E N -0.416 119.787 120.200 0.005 0.000 2.038 679 E HA -0.260 4.079 4.350 -0.019 0.000 0.195 679 E C 2.285 178.786 176.600 -0.166 0.000 1.000 679 E CA 1.386 57.714 56.400 -0.120 0.000 0.803 679 E CB -0.182 29.474 29.700 -0.075 0.000 0.750 679 E HN 0.555 nan 8.360 nan 0.000 0.448 680 R N -0.197 120.319 120.500 0.027 0.000 2.096 680 R HA -0.189 4.139 4.340 -0.019 0.000 0.240 680 R C 2.206 178.565 176.300 0.098 0.000 1.139 680 R CA 1.651 57.819 56.100 0.114 0.000 0.952 680 R CB -0.301 30.095 30.300 0.159 0.000 0.854 680 R HN 0.266 nan 8.270 nan 0.000 0.436 681 A N 0.061 122.947 122.820 0.110 0.000 1.930 681 A HA 0.044 4.352 4.320 -0.019 0.000 0.215 681 A C 2.273 179.924 177.584 0.111 0.000 1.176 681 A CA 1.218 53.331 52.037 0.127 0.000 0.632 681 A CB -0.584 18.584 19.000 0.280 0.000 0.819 681 A HN 0.497 nan 8.150 nan 0.000 0.445 682 A N -0.810 122.061 122.820 0.084 0.000 1.902 682 A HA -0.212 4.096 4.320 -0.019 0.000 0.217 682 A C 1.996 179.626 177.584 0.076 0.000 1.181 682 A CA 1.727 53.809 52.037 0.075 0.000 0.623 682 A CB -0.944 18.067 19.000 0.019 0.000 0.818 682 A HN 0.598 nan 8.150 nan 0.000 0.443 683 H N -1.337 117.787 119.070 0.089 0.000 2.422 683 H HA -0.041 4.503 4.556 -0.019 0.000 0.298 683 H C 1.694 177.048 175.328 0.043 0.000 1.098 683 H CA 1.576 57.664 56.048 0.066 0.000 1.315 683 H CB -0.237 29.560 29.762 0.058 0.000 1.382 683 H HN 0.271 nan 8.280 nan 0.000 0.523 684 V N 0.937 120.939 119.914 0.146 0.000 3.542 684 V HA 0.043 4.151 4.120 -0.019 0.000 0.296 684 V C 0.344 176.436 176.094 -0.003 0.000 1.364 684 V CA 0.067 62.404 62.300 0.060 0.000 1.118 684 V CB 0.182 32.028 31.823 0.039 0.000 0.972 684 V HN -0.037 nan 8.190 nan 0.000 0.430 685 V N 2.303 122.221 119.914 0.008 0.000 2.479 685 V HA 0.150 4.259 4.120 -0.019 0.000 0.281 685 V C 0.300 176.362 176.094 -0.054 0.000 1.031 685 V CA 0.049 62.310 62.300 -0.065 0.000 1.038 685 V CB 0.718 32.517 31.823 -0.040 0.000 0.981 685 V HN 0.417 nan 8.190 nan 0.000 0.478 686 K N 4.245 124.582 120.400 -0.105 0.000 2.185 686 K HA 0.704 5.012 4.320 -0.019 0.000 0.269 686 K C -1.072 175.447 176.600 -0.135 0.000 0.987 686 K CA -0.579 55.659 56.287 -0.081 0.000 0.865 686 K CB 2.049 34.504 32.500 -0.075 0.000 1.090 686 K HN 0.456 nan 8.250 nan 0.000 0.450 687 V N 1.925 121.758 119.914 -0.135 0.000 2.604 687 V HA 0.369 4.477 4.120 -0.019 0.000 0.305 687 V C -0.302 175.555 176.094 -0.395 0.000 1.043 687 V CA -0.864 61.245 62.300 -0.319 0.000 0.888 687 V CB 1.967 33.541 31.823 -0.415 0.000 0.995 687 V HN 0.764 nan 8.190 nan 0.000 0.429 688 T N 4.049 118.335 114.554 -0.446 0.000 2.823 688 T HA 0.748 5.086 4.350 -0.019 0.000 0.279 688 T C -1.154 173.315 174.700 -0.385 0.000 0.998 688 T CA -0.236 61.697 62.100 -0.279 0.000 0.994 688 T CB 0.874 69.660 68.868 -0.137 0.000 0.960 688 T HN 0.496 nan 8.240 nan 0.000 0.448 689 Y N 0.572 120.871 120.300 -0.001 0.000 2.605 689 Y HA 0.561 5.099 4.550 -0.019 0.000 0.343 689 Y C 0.212 176.108 175.900 -0.008 0.000 1.036 689 Y CA -1.266 56.834 58.100 0.000 0.000 1.065 689 Y CB 1.735 40.202 38.460 0.010 0.000 1.288 689 Y HN 0.555 nan 8.280 nan 0.000 0.481 690 E N 1.837 122.135 120.200 0.163 0.000 2.185 690 E HA 0.223 4.562 4.350 -0.019 0.000 0.261 690 E C -1.490 175.132 176.600 0.037 0.000 0.879 690 E CA -0.811 55.634 56.400 0.074 0.000 0.756 690 E CB 0.854 30.573 29.700 0.032 0.000 1.152 690 E HN 0.569 nan 8.360 nan 0.000 0.416 691 D N 3.683 124.090 120.400 0.011 0.000 2.423 691 D HA 0.168 4.796 4.640 -0.019 0.000 0.238 691 D C -0.092 176.153 176.300 -0.091 0.000 1.142 691 D CA 0.530 54.505 54.000 -0.042 0.000 0.884 691 D CB 0.789 41.568 40.800 -0.034 0.000 1.199 691 D HN 0.410 nan 8.370 nan 0.000 0.438 692 L N 2.436 123.551 121.223 -0.180 0.000 2.341 692 L HA 0.360 4.688 4.340 -0.019 0.000 0.267 692 L C -2.221 174.576 176.870 -0.123 0.000 1.009 692 L CA -2.178 52.507 54.840 -0.258 0.000 0.819 692 L CB 1.758 43.416 42.059 -0.668 0.000 1.323 692 L HN 0.072 nan 8.230 nan 0.000 0.425 693 P HA -0.023 nan 4.420 nan 0.000 0.255 693 P C -0.880 176.522 177.300 0.170 0.000 1.161 693 P CA 0.338 63.465 63.100 0.045 0.000 0.768 693 P CB 0.342 32.062 31.700 0.033 0.000 0.746 694 A N 4.384 127.266 122.820 0.103 0.000 2.306 694 A HA 0.725 5.033 4.320 -0.019 0.000 0.330 694 A C -0.319 177.258 177.584 -0.011 0.000 1.146 694 A CA -0.680 51.406 52.037 0.081 0.000 0.827 694 A CB 0.735 19.767 19.000 0.054 0.000 1.178 694 A HN 0.481 nan 8.150 nan 0.000 0.490 695 I N 2.051 122.581 120.570 -0.067 0.000 2.439 695 I HA 0.296 4.454 4.170 -0.019 0.000 0.285 695 I C -0.295 175.750 176.117 -0.119 0.000 1.021 695 I CA -0.008 61.231 61.300 -0.103 0.000 1.091 695 I CB 1.710 39.624 38.000 -0.143 0.000 1.242 695 I HN 0.652 nan 8.210 nan 0.000 0.439 696 I N 2.906 123.408 120.570 -0.114 0.000 3.443 696 I HA 0.043 4.201 4.170 -0.019 0.000 0.277 696 I C 1.239 177.271 176.117 -0.141 0.000 1.169 696 I CA 0.572 61.787 61.300 -0.142 0.000 1.419 696 I CB 0.364 38.279 38.000 -0.141 0.000 1.331 696 I HN 0.588 nan 8.210 nan 0.000 0.458 697 T N -1.283 113.206 114.554 -0.110 0.000 2.902 697 T HA 0.411 4.749 4.350 -0.019 0.000 0.280 697 T C 1.347 176.007 174.700 -0.067 0.000 0.992 697 T CA -0.488 61.561 62.100 -0.084 0.000 1.015 697 T CB 1.285 70.104 68.868 -0.082 0.000 1.044 697 T HN 0.063 nan 8.240 nan 0.000 0.520 698 I N 0.615 121.176 120.570 -0.015 0.000 2.194 698 I HA -0.178 3.981 4.170 -0.019 0.000 0.246 698 I C 2.682 178.753 176.117 -0.076 0.000 1.093 698 I CA 1.427 62.726 61.300 -0.001 0.000 1.355 698 I CB -0.349 37.711 38.000 0.100 0.000 1.046 698 I HN 0.733 nan 8.210 nan 0.000 0.413 699 E N 0.637 120.790 120.200 -0.080 0.000 2.072 699 E HA -0.202 4.136 4.350 -0.019 0.000 0.191 699 E C 1.722 178.261 176.600 -0.103 0.000 0.985 699 E CA 1.091 57.432 56.400 -0.098 0.000 0.801 699 E CB -0.333 29.320 29.700 -0.078 0.000 0.750 699 E HN 0.483 nan 8.360 nan 0.000 0.452 700 D N 1.031 121.371 120.400 -0.099 0.000 2.106 700 D HA -0.169 4.459 4.640 -0.019 0.000 0.191 700 D C 1.876 178.084 176.300 -0.154 0.000 0.997 700 D CA 1.780 55.715 54.000 -0.108 0.000 0.834 700 D CB -0.245 40.493 40.800 -0.103 0.000 0.956 700 D HN 0.176 nan 8.370 nan 0.000 0.448 701 A N 0.331 123.038 122.820 -0.188 0.000 1.898 701 A HA -0.092 4.216 4.320 -0.019 0.000 0.216 701 A C 2.435 179.765 177.584 -0.423 0.000 1.181 701 A CA 0.765 52.614 52.037 -0.313 0.000 0.620 701 A CB -0.619 18.208 19.000 -0.287 0.000 0.819 701 A HN 0.199 nan 8.150 nan 0.000 0.442 702 I N -0.479 119.950 120.570 -0.235 0.000 2.179 702 I HA -0.259 3.899 4.170 -0.019 0.000 0.242 702 I C 2.549 178.615 176.117 -0.084 0.000 1.088 702 I CA 1.753 63.001 61.300 -0.087 0.000 1.357 702 I CB -0.207 37.721 38.000 -0.121 0.000 1.051 702 I HN 0.330 nan 8.210 nan 0.000 0.409 703 K N 0.766 121.103 120.400 -0.104 0.000 2.147 703 K HA -0.157 4.151 4.320 -0.019 0.000 0.205 703 K C 1.346 177.895 176.600 -0.085 0.000 1.049 703 K CA 1.303 57.546 56.287 -0.074 0.000 0.936 703 K CB -0.003 32.455 32.500 -0.070 0.000 0.722 703 K HN 0.380 nan 8.250 nan 0.000 0.446 704 N N 0.881 119.495 118.700 -0.144 0.000 2.236 704 N HA -0.064 4.664 4.740 -0.019 0.000 0.196 704 N C -0.323 175.071 175.510 -0.193 0.000 1.114 704 N CA 0.134 53.096 53.050 -0.146 0.000 0.859 704 N CB 0.295 38.687 38.487 -0.158 0.000 0.982 704 N HN 0.215 nan 8.380 nan 0.000 0.493 705 N N 0.665 119.218 118.700 -0.246 0.000 2.735 705 N HA -0.192 4.536 4.740 -0.019 0.000 0.248 705 N C -1.048 174.116 175.510 -0.577 0.000 1.083 705 N CA 0.370 53.256 53.050 -0.272 0.000 0.703 705 N CB -1.339 37.144 38.487 -0.006 0.000 1.005 705 N HN -0.029 nan 8.380 nan 0.000 0.550 706 S N 0.929 116.096 115.700 -0.888 0.000 2.835 706 S HA 0.549 5.008 4.470 -0.019 0.000 0.286 706 S C -0.739 173.327 174.600 -0.889 0.000 1.194 706 S CA -0.499 57.292 58.200 -0.682 0.000 1.031 706 S CB -0.361 62.559 63.200 -0.467 0.000 1.216 706 S HN 0.305 nan 8.310 nan 0.000 0.502 707 F N 2.372 122.211 119.950 -0.185 0.000 2.593 707 F HA 0.468 4.983 4.527 -0.019 0.000 0.320 707 F C -0.537 175.113 175.800 -0.251 0.000 1.060 707 F CA -1.289 56.600 58.000 -0.186 0.000 0.940 707 F CB 1.312 40.283 39.000 -0.049 0.000 1.268 707 F HN 0.293 nan 8.300 nan 0.000 0.475 708 Y N 1.314 121.727 120.300 0.188 0.000 2.367 708 Y HA 0.504 5.042 4.550 -0.019 0.000 0.342 708 Y C 0.806 176.738 175.900 0.053 0.000 0.979 708 Y CA -0.011 58.132 58.100 0.072 0.000 1.161 708 Y CB 0.887 39.357 38.460 0.016 0.000 1.155 708 Y HN 0.899 nan 8.280 nan 0.000 0.503 709 G N 2.012 110.915 108.800 0.173 0.000 2.642 709 G HA2 -0.153 3.795 3.960 -0.019 0.000 0.231 709 G HA3 -0.153 3.795 3.960 -0.019 0.000 0.231 709 G C -0.477 174.453 174.900 0.049 0.000 1.338 709 G CA -0.453 44.695 45.100 0.079 0.000 0.883 709 G HN 0.838 nan 8.290 nan 0.000 0.570 710 S N -1.022 114.679 115.700 0.003 0.000 2.767 710 S HA 0.697 5.155 4.470 -0.019 0.000 0.300 710 S C 0.037 174.582 174.600 -0.092 0.000 1.123 710 S CA 0.049 58.224 58.200 -0.042 0.000 0.992 710 S CB 1.977 65.159 63.200 -0.031 0.000 1.138 710 S HN 1.014 nan 8.310 nan 0.000 0.550 711 E N 0.216 120.338 120.200 -0.129 0.000 2.376 711 E HA 0.174 4.512 4.350 -0.019 0.000 0.266 711 E C -0.916 175.599 176.600 -0.141 0.000 1.009 711 E CA -0.201 56.101 56.400 -0.163 0.000 0.902 711 E CB 0.274 29.883 29.700 -0.152 0.000 0.972 711 E HN 0.428 nan 8.360 nan 0.000 0.439 712 L N 4.353 125.467 121.223 -0.182 0.000 2.375 712 L HA 0.438 4.767 4.340 -0.019 0.000 0.271 712 L C 0.153 176.957 176.870 -0.111 0.000 1.107 712 L CA -0.227 54.478 54.840 -0.224 0.000 0.806 712 L CB 1.077 42.931 42.059 -0.342 0.000 1.146 712 L HN 0.549 nan 8.230 nan 0.000 0.447 713 K N 2.765 123.152 120.400 -0.022 0.000 2.557 713 K HA 0.597 4.906 4.320 -0.019 0.000 0.261 713 K C -1.850 174.906 176.600 0.259 0.000 0.932 713 K CA -0.542 55.804 56.287 0.099 0.000 0.829 713 K CB 2.093 34.635 32.500 0.070 0.000 1.358 713 K HN 0.482 nan 8.250 nan 0.000 0.430 714 I N 2.396 123.107 120.570 0.234 0.000 2.498 714 I HA 0.366 4.525 4.170 -0.019 0.000 0.290 714 I C -0.907 175.342 176.117 0.220 0.000 1.032 714 I CA -0.616 60.840 61.300 0.259 0.000 1.073 714 I CB 2.172 40.324 38.000 0.254 0.000 1.251 714 I HN 0.618 nan 8.210 nan 0.000 0.426 715 E N 6.360 126.673 120.200 0.188 0.000 2.292 715 E HA 0.546 4.884 4.350 -0.019 0.000 0.272 715 E C -1.526 175.151 176.600 0.129 0.000 0.881 715 E CA -0.843 55.643 56.400 0.144 0.000 0.754 715 E CB 2.637 32.402 29.700 0.109 0.000 1.201 715 E HN 0.517 nan 8.360 nan 0.000 0.425 716 K N 2.650 123.114 120.400 0.107 0.000 2.527 716 K HA 0.615 4.923 4.320 -0.019 0.000 0.260 716 K C -0.159 176.464 176.600 0.039 0.000 0.937 716 K CA 0.182 56.516 56.287 0.079 0.000 0.826 716 K CB 1.674 34.236 32.500 0.102 0.000 1.359 716 K HN 0.731 nan 8.250 nan 0.000 0.434 717 G N 2.087 110.900 108.800 0.021 0.000 2.562 717 G HA2 -0.226 3.723 3.960 -0.019 0.000 0.250 717 G HA3 -0.226 3.723 3.960 -0.019 0.000 0.250 717 G C -1.195 173.703 174.900 -0.004 0.000 1.269 717 G CA 0.237 45.335 45.100 -0.004 0.000 0.919 717 G HN 0.699 nan 8.290 nan 0.000 0.574 718 D N 0.142 120.527 120.400 -0.024 0.000 2.358 718 D HA 0.458 5.087 4.640 -0.019 0.000 0.253 718 D C 1.594 177.875 176.300 -0.032 0.000 1.288 718 D CA -0.481 53.511 54.000 -0.014 0.000 0.950 718 D CB 0.662 41.454 40.800 -0.014 0.000 1.197 718 D HN 0.341 nan 8.370 nan 0.000 0.550 719 L N 2.621 123.843 121.223 -0.003 0.000 2.017 719 L HA -0.131 4.197 4.340 -0.019 0.000 0.208 719 L C 2.298 179.225 176.870 0.094 0.000 1.073 719 L CA 1.035 55.879 54.840 0.006 0.000 0.745 719 L CB -0.025 42.112 42.059 0.129 0.000 0.894 719 L HN 0.322 nan 8.230 nan 0.000 0.432 720 K N -0.126 120.347 120.400 0.121 0.000 2.074 720 K HA -0.263 4.046 4.320 -0.019 0.000 0.209 720 K C 2.189 178.834 176.600 0.075 0.000 1.048 720 K CA 1.520 57.883 56.287 0.126 0.000 0.926 720 K CB -0.120 32.424 32.500 0.074 0.000 0.713 720 K HN 0.158 nan 8.250 nan 0.000 0.444 721 K N 0.250 120.663 120.400 0.021 0.000 2.057 721 K HA -0.134 4.174 4.320 -0.019 0.000 0.207 721 K C 2.137 178.711 176.600 -0.043 0.000 1.049 721 K CA 1.622 57.904 56.287 -0.009 0.000 0.931 721 K CB -0.224 32.263 32.500 -0.021 0.000 0.714 721 K HN 0.258 nan 8.250 nan 0.000 0.440 722 G N 0.326 109.062 108.800 -0.108 0.000 2.421 722 G HA2 -0.222 3.726 3.960 -0.019 0.000 0.216 722 G HA3 -0.222 3.726 3.960 -0.019 0.000 0.216 722 G C 1.352 176.113 174.900 -0.231 0.000 1.171 722 G CA 0.546 45.511 45.100 -0.224 0.000 0.775 722 G HN 0.284 nan 8.290 nan 0.000 0.543 723 F N 1.533 121.454 119.950 -0.048 0.000 2.269 723 F HA -0.058 4.456 4.527 -0.020 0.000 0.301 723 F C 3.035 178.800 175.800 -0.059 0.000 1.082 723 F CA 1.077 59.044 58.000 -0.056 0.000 1.360 723 F CB 0.158 39.129 39.000 -0.049 0.000 1.041 723 F HN 0.082 nan 8.300 nan 0.000 0.512 724 S N -0.408 115.350 115.700 0.097 0.000 2.406 724 S HA -0.150 4.309 4.470 -0.019 0.000 0.228 724 S C 1.583 176.184 174.600 0.002 0.000 1.020 724 S CA 1.034 59.258 58.200 0.039 0.000 0.965 724 S CB -0.264 62.951 63.200 0.025 0.000 0.798 724 S HN 0.442 nan 8.310 nan 0.000 0.488 725 E N 1.206 121.393 120.200 -0.022 0.000 2.481 725 E HA 0.240 4.579 4.350 -0.019 0.000 0.195 725 E C 0.508 177.075 176.600 -0.054 0.000 1.047 725 E CA -0.015 56.361 56.400 -0.040 0.000 0.867 725 E CB 0.084 29.753 29.700 -0.052 0.000 0.858 725 E HN 0.407 nan 8.360 nan 0.000 0.513 726 A N 1.397 124.183 122.820 -0.057 0.000 2.440 726 A HA 0.015 4.323 4.320 -0.019 0.000 0.251 726 A C 0.440 177.955 177.584 -0.116 0.000 1.089 726 A CA -0.355 51.625 52.037 -0.096 0.000 0.779 726 A CB 0.393 19.346 19.000 -0.078 0.000 1.022 726 A HN -0.029 nan 8.150 nan 0.000 0.492 727 D N 0.816 121.120 120.400 -0.159 0.000 2.183 727 D HA -0.020 4.609 4.640 -0.019 0.000 0.203 727 D C 0.070 176.226 176.300 -0.240 0.000 0.969 727 D CA 1.342 55.247 54.000 -0.158 0.000 0.842 727 D CB 0.155 40.877 40.800 -0.129 0.000 0.957 727 D HN 0.581 nan 8.370 nan 0.000 0.484 728 N N -0.376 118.045 118.700 -0.465 0.000 2.242 728 N HA 0.353 5.081 4.740 -0.019 0.000 0.292 728 N C -1.270 173.843 175.510 -0.661 0.000 1.125 728 N CA -0.409 52.267 53.050 -0.623 0.000 0.783 728 N CB 3.399 41.308 38.487 -0.963 0.000 1.558 728 N HN -0.269 nan 8.380 nan 0.000 0.472 729 V N 1.328 121.066 119.914 -0.292 0.000 2.709 729 V HA 0.530 4.638 4.120 -0.019 0.000 0.308 729 V C -0.487 175.667 176.094 0.101 0.000 1.062 729 V CA -0.697 61.579 62.300 -0.040 0.000 0.901 729 V CB 2.349 34.162 31.823 -0.017 0.000 1.003 729 V HN 0.346 nan 8.190 nan 0.000 0.425 730 V N 3.573 123.645 119.914 0.264 0.000 2.577 730 V HA 0.720 4.828 4.120 -0.019 0.000 0.303 730 V C -0.096 176.084 176.094 0.144 0.000 1.042 730 V CA -0.274 62.176 62.300 0.251 0.000 0.872 730 V CB 2.304 34.367 31.823 0.401 0.000 0.998 730 V HN 1.046 nan 8.190 nan 0.000 0.423 731 S N 3.156 118.855 115.700 -0.002 0.000 2.677 731 S HA 1.043 5.501 4.470 -0.019 0.000 0.304 731 S C -0.197 174.176 174.600 -0.378 0.000 1.108 731 S CA -0.102 57.978 58.200 -0.201 0.000 0.944 731 S CB 2.468 65.558 63.200 -0.184 0.000 1.127 731 S HN 1.526 nan 8.310 nan 0.000 0.511 732 G N -0.333 107.975 108.800 -0.819 0.000 2.340 732 G HA2 0.495 4.443 3.960 -0.019 0.000 0.299 732 G HA3 0.495 4.443 3.960 -0.019 0.000 0.299 732 G C -2.157 172.373 174.900 -0.617 0.000 1.291 732 G CA -0.677 44.021 45.100 -0.670 0.000 0.841 732 G HN 0.897 nan 8.290 nan 0.000 0.500 733 E N -1.197 118.938 120.200 -0.108 0.000 2.340 733 E HA 0.691 5.029 4.350 -0.019 0.000 0.273 733 E C -2.015 174.788 176.600 0.338 0.000 0.891 733 E CA -0.793 55.688 56.400 0.135 0.000 0.757 733 E CB 2.638 32.398 29.700 0.101 0.000 1.231 733 E HN 0.591 nan 8.360 nan 0.000 0.439 734 L N 3.695 125.164 121.223 0.409 0.000 2.482 734 L HA 0.502 4.831 4.340 -0.019 0.000 0.263 734 L C -2.189 174.955 176.870 0.455 0.000 0.957 734 L CA -0.572 54.523 54.840 0.425 0.000 0.836 734 L CB 1.778 44.079 42.059 0.403 0.000 1.324 734 L HN 0.642 nan 8.230 nan 0.000 0.406 735 Y N 5.006 125.491 120.300 0.308 0.000 2.409 735 Y HA 0.719 5.257 4.550 -0.020 0.000 0.343 735 Y C -1.243 174.815 175.900 0.264 0.000 0.973 735 Y CA -0.829 57.437 58.100 0.277 0.000 1.064 735 Y CB 1.721 40.307 38.460 0.210 0.000 1.207 735 Y HN 0.663 nan 8.280 nan 0.000 0.452 736 I N 6.110 126.443 120.570 -0.395 0.000 2.418 736 I HA 0.651 4.810 4.170 -0.019 0.000 0.287 736 I C 0.200 175.894 176.117 -0.704 0.000 1.008 736 I CA -0.442 60.610 61.300 -0.412 0.000 1.104 736 I CB 0.842 38.658 38.000 -0.307 0.000 1.264 736 I HN 0.844 nan 8.210 nan 0.000 0.438 737 G N 4.444 113.011 108.800 -0.389 0.000 2.667 737 G HA2 0.439 4.388 3.960 -0.019 0.000 0.250 737 G HA3 0.439 4.388 3.960 -0.019 0.000 0.250 737 G C 0.306 175.138 174.900 -0.113 0.000 1.212 737 G CA 0.020 45.047 45.100 -0.122 0.000 0.874 737 G HN 0.849 nan 8.290 nan 0.000 0.561 738 G N -1.586 107.229 108.800 0.026 0.000 2.509 738 G HA2 0.530 4.479 3.960 -0.019 0.000 0.269 738 G HA3 0.530 4.479 3.960 -0.019 0.000 0.269 738 G C -0.363 174.516 174.900 -0.035 0.000 1.416 738 G CA -0.297 44.806 45.100 0.006 0.000 1.052 738 G HN 0.714 nan 8.290 nan 0.000 0.542 739 Q N -1.230 118.552 119.800 -0.030 0.000 2.438 739 Q HA 0.179 4.507 4.340 -0.019 0.000 0.272 739 Q C -2.209 173.866 176.000 0.125 0.000 0.994 739 Q CA -0.648 55.143 55.803 -0.020 0.000 0.887 739 Q CB 2.526 30.976 28.738 -0.480 0.000 1.432 739 Q HN 0.639 nan 8.270 nan 0.000 0.392 740 D N 0.944 121.419 120.400 0.125 0.000 2.177 740 D HA 0.144 4.773 4.640 -0.019 0.000 0.247 740 D C 0.305 176.697 176.300 0.153 0.000 1.063 740 D CA -0.017 53.968 54.000 -0.024 0.000 0.867 740 D CB 0.946 41.507 40.800 -0.398 0.000 1.168 740 D HN 0.706 nan 8.370 nan 0.000 0.445 741 H N 3.004 122.010 119.070 -0.106 0.000 2.352 741 H HA -0.091 4.454 4.556 -0.019 0.000 0.299 741 H C 0.565 175.688 175.328 -0.342 0.000 1.097 741 H CA 1.058 56.762 56.048 -0.574 0.000 1.311 741 H CB -0.236 29.042 29.762 -0.807 0.000 1.377 741 H HN 0.517 nan 8.280 nan 0.000 0.504 742 F N 0.293 119.971 119.950 -0.455 0.000 3.048 742 F HA -0.279 4.237 4.527 -0.018 0.000 0.269 742 F C -0.673 175.032 175.800 -0.159 0.000 0.960 742 F CA -0.500 57.342 58.000 -0.263 0.000 0.909 742 F CB -1.691 37.301 39.000 -0.013 0.000 0.837 742 F HN 0.148 nan 8.300 nan 0.000 0.768 743 Y N -0.603 119.843 120.300 0.244 0.000 2.712 743 Y HA 0.121 4.659 4.550 -0.019 0.000 0.333 743 Y C 1.116 177.076 175.900 0.100 0.000 1.225 743 Y CA -1.135 57.139 58.100 0.291 0.000 1.499 743 Y CB 0.039 38.582 38.460 0.138 0.000 1.288 743 Y HN 0.081 nan 8.280 nan 0.000 0.575 744 L N 1.199 122.607 121.223 0.310 0.000 2.131 744 L HA -0.095 4.233 4.340 -0.019 0.000 0.210 744 L C 1.079 177.988 176.870 0.065 0.000 1.092 744 L CA 1.438 56.375 54.840 0.162 0.000 0.759 744 L CB -0.588 41.549 42.059 0.131 0.000 0.903 744 L HN 0.853 nan 8.230 nan 0.000 0.435 745 E N 0.762 120.985 120.200 0.038 0.000 2.130 745 E HA 0.143 4.482 4.350 -0.019 0.000 0.284 745 E C 0.002 176.581 176.600 -0.035 0.000 1.018 745 E CA -0.296 56.071 56.400 -0.055 0.000 0.817 745 E CB 0.990 30.599 29.700 -0.150 0.000 1.078 745 E HN 0.242 nan 8.360 nan 0.000 0.396 746 T N 1.557 116.106 114.554 -0.007 0.000 2.698 746 T HA 0.076 4.415 4.350 -0.019 0.000 0.295 746 T C 0.615 175.202 174.700 -0.187 0.000 1.007 746 T CA -0.513 61.584 62.100 -0.006 0.000 0.980 746 T CB 0.368 69.292 68.868 0.093 0.000 1.036 746 T HN 0.439 nan 8.240 nan 0.000 0.526 747 H N -0.943 118.040 119.070 -0.145 0.000 2.897 747 H HA 0.310 4.854 4.556 -0.019 0.000 0.347 747 H C -0.104 175.193 175.328 -0.053 0.000 1.068 747 H CA 0.150 56.114 56.048 -0.140 0.000 1.426 747 H CB 0.461 30.174 29.762 -0.082 0.000 1.410 747 H HN 0.690 nan 8.280 nan 0.000 0.597 748 C N 3.296 122.630 119.300 0.057 0.000 2.931 748 C HA 0.346 4.795 4.460 -0.019 0.000 0.370 748 C C -0.570 174.461 174.990 0.068 0.000 1.071 748 C CA -0.243 58.813 59.018 0.063 0.000 1.266 748 C CB 1.013 28.780 27.740 0.045 0.000 1.691 748 C HN 0.875 nan 8.230 nan 0.000 0.511 749 T N 6.019 120.620 114.554 0.079 0.000 2.893 749 T HA 0.631 4.970 4.350 -0.019 0.000 0.293 749 T C -0.905 173.852 174.700 0.094 0.000 1.027 749 T CA -0.218 61.932 62.100 0.084 0.000 0.988 749 T CB 1.220 70.126 68.868 0.064 0.000 1.043 749 T HN 0.559 nan 8.240 nan 0.000 0.461 750 I N 2.255 122.910 120.570 0.142 0.000 2.404 750 I HA 0.699 4.857 4.170 -0.019 0.000 0.293 750 I C -0.014 176.210 176.117 0.178 0.000 0.992 750 I CA -0.888 60.505 61.300 0.154 0.000 1.149 750 I CB 1.659 39.782 38.000 0.205 0.000 1.315 750 I HN 0.681 nan 8.210 nan 0.000 0.446 751 A N 7.534 130.423 122.820 0.116 0.000 2.318 751 A HA 0.823 5.131 4.320 -0.019 0.000 0.317 751 A C -0.715 176.924 177.584 0.091 0.000 1.159 751 A CA -0.409 51.679 52.037 0.085 0.000 0.799 751 A CB 0.557 19.588 19.000 0.051 0.000 1.194 751 A HN 0.671 nan 8.150 nan 0.000 0.479 752 I N 4.847 125.471 120.570 0.089 0.000 2.359 752 I HA 0.315 4.473 4.170 -0.019 0.000 0.284 752 I C -2.241 173.876 176.117 0.000 0.000 1.018 752 I CA -2.031 59.301 61.300 0.053 0.000 1.173 752 I CB 2.137 40.212 38.000 0.125 0.000 1.326 752 I HN 0.413 nan 8.210 nan 0.000 0.462 753 P HA 0.163 nan 4.420 nan 0.000 0.282 753 P C -0.274 176.996 177.300 -0.050 0.000 1.262 753 P CA -0.488 62.603 63.100 -0.015 0.000 0.773 753 P CB 1.355 33.053 31.700 -0.004 0.000 0.879 754 K N 2.412 122.791 120.400 -0.035 0.000 2.305 754 K HA 0.088 4.396 4.320 -0.019 0.000 0.199 754 K C 1.595 178.166 176.600 -0.047 0.000 1.047 754 K CA 0.948 57.206 56.287 -0.048 0.000 0.976 754 K CB -0.775 31.706 32.500 -0.031 0.000 0.765 754 K HN 0.806 nan 8.250 nan 0.000 0.474 755 G N 1.626 110.406 108.800 -0.033 0.000 2.199 755 G HA2 -0.269 3.680 3.960 -0.019 0.000 0.254 755 G HA3 -0.269 3.680 3.960 -0.019 0.000 0.254 755 G C -0.336 174.551 174.900 -0.021 0.000 0.982 755 G CA 0.189 45.268 45.100 -0.035 0.000 0.632 755 G HN 0.410 nan 8.290 nan 0.000 0.529 756 E N 0.448 120.639 120.200 -0.014 0.000 2.158 756 E HA 0.543 4.881 4.350 -0.019 0.000 0.271 756 E C 0.324 176.926 176.600 0.003 0.000 0.911 756 E CA -0.746 55.650 56.400 -0.007 0.000 0.767 756 E CB 1.051 30.745 29.700 -0.009 0.000 1.120 756 E HN 0.154 nan 8.360 nan 0.000 0.405 757 E N 1.439 121.644 120.200 0.009 0.000 2.971 757 E HA -0.265 4.073 4.350 -0.019 0.000 0.278 757 E C 0.723 177.336 176.600 0.021 0.000 1.009 757 E CA 1.076 57.484 56.400 0.013 0.000 0.862 757 E CB -1.504 28.199 29.700 0.005 0.000 1.436 757 E HN 1.142 nan 8.360 nan 0.000 0.434 758 G N 0.234 109.056 108.800 0.038 0.000 2.168 758 G HA2 -0.371 3.578 3.960 -0.019 0.000 0.263 758 G HA3 -0.371 3.578 3.960 -0.019 0.000 0.263 758 G C 0.109 175.029 174.900 0.034 0.000 0.977 758 G CA 0.751 45.884 45.100 0.055 0.000 0.659 758 G HN 0.391 nan 8.290 nan 0.000 0.533 759 E N -0.316 119.894 120.200 0.016 0.000 2.414 759 E HA 0.439 4.777 4.350 -0.019 0.000 0.263 759 E C 0.354 176.955 176.600 0.002 0.000 1.000 759 E CA 0.486 56.886 56.400 0.002 0.000 0.914 759 E CB 0.628 30.324 29.700 -0.007 0.000 0.948 759 E HN 0.461 nan 8.360 nan 0.000 0.444 760 M N 2.515 122.108 119.600 -0.010 0.000 2.371 760 M HA 0.229 4.697 4.480 -0.019 0.000 0.287 760 M C -1.626 174.644 176.300 -0.050 0.000 1.149 760 M CA -0.433 54.858 55.300 -0.015 0.000 0.929 760 M CB 2.170 34.772 32.600 0.003 0.000 1.683 760 M HN 0.415 nan 8.290 nan 0.000 0.470 761 E N 3.863 124.024 120.200 -0.065 0.000 2.199 761 E HA 0.606 4.944 4.350 -0.019 0.000 0.265 761 E C -2.053 174.421 176.600 -0.209 0.000 0.882 761 E CA -0.626 55.676 56.400 -0.162 0.000 0.759 761 E CB 1.527 31.136 29.700 -0.152 0.000 1.148 761 E HN 0.600 nan 8.360 nan 0.000 0.412 762 L N 4.494 125.531 121.223 -0.311 0.000 2.346 762 L HA 0.491 4.820 4.340 -0.019 0.000 0.276 762 L C -1.079 175.533 176.870 -0.430 0.000 1.006 762 L CA -0.446 54.260 54.840 -0.223 0.000 0.817 762 L CB 1.177 43.178 42.059 -0.096 0.000 1.272 762 L HN 0.507 nan 8.230 nan 0.000 0.421 763 F N 3.097 123.055 119.950 0.012 0.000 2.411 763 F HA 0.694 5.209 4.527 -0.019 0.000 0.352 763 F C 0.044 175.845 175.800 0.001 0.000 1.123 763 F CA -0.995 57.008 58.000 0.005 0.000 1.044 763 F CB 1.721 40.727 39.000 0.010 0.000 1.135 763 F HN 0.177 nan 8.300 nan 0.000 0.461 764 V N -0.307 119.679 119.914 0.119 0.000 2.760 764 V HA 0.528 4.636 4.120 -0.019 0.000 0.309 764 V C -0.300 175.810 176.094 0.025 0.000 1.077 764 V CA -0.835 61.498 62.300 0.055 0.000 0.910 764 V CB 1.543 33.370 31.823 0.007 0.000 1.008 764 V HN 0.637 nan 8.190 nan 0.000 0.424 765 S N 3.122 118.821 115.700 -0.001 0.000 3.517 765 S HA 0.480 4.938 4.470 -0.019 0.000 0.284 765 S C 0.064 174.593 174.600 -0.118 0.000 1.260 765 S CA 0.431 58.590 58.200 -0.068 0.000 0.975 765 S CB -0.908 62.217 63.200 -0.124 0.000 1.540 765 S HN 1.251 nan 8.310 nan 0.000 0.506 766 T N 2.974 117.474 114.554 -0.090 0.000 2.916 766 T HA 0.345 4.683 4.350 -0.019 0.000 0.305 766 T C 0.399 175.049 174.700 -0.085 0.000 1.119 766 T CA -0.540 61.507 62.100 -0.089 0.000 1.008 766 T CB 1.670 70.506 68.868 -0.053 0.000 1.129 766 T HN 0.492 nan 8.240 nan 0.000 0.480 767 Q N 1.645 121.399 119.800 -0.077 0.000 2.425 767 Q HA 0.209 4.537 4.340 -0.019 0.000 0.204 767 Q C 0.107 176.093 176.000 -0.023 0.000 0.933 767 Q CA 0.174 55.949 55.803 -0.048 0.000 0.939 767 Q CB 0.272 28.994 28.738 -0.026 0.000 1.044 767 Q HN 0.344 nan 8.270 nan 0.000 0.513 768 N N -0.367 118.307 118.700 -0.043 0.000 2.752 768 N HA 0.247 4.976 4.740 -0.019 0.000 0.260 768 N C -0.233 175.225 175.510 -0.087 0.000 1.562 768 N CA -0.032 52.986 53.050 -0.055 0.000 0.788 768 N CB 0.830 39.278 38.487 -0.065 0.000 1.192 768 N HN 0.072 nan 8.380 nan 0.000 0.503 769 A N 2.532 125.309 122.820 -0.072 0.000 1.940 769 A HA -0.180 4.128 4.320 -0.019 0.000 0.219 769 A C 2.135 179.665 177.584 -0.091 0.000 1.176 769 A CA 1.326 53.315 52.037 -0.080 0.000 0.631 769 A CB -0.362 18.595 19.000 -0.072 0.000 0.814 769 A HN 0.684 nan 8.150 nan 0.000 0.446 770 M N -1.145 118.407 119.600 -0.081 0.000 2.065 770 M HA -0.193 4.275 4.480 -0.019 0.000 0.259 770 M C 1.893 178.105 176.300 -0.147 0.000 1.069 770 M CA 2.049 57.299 55.300 -0.084 0.000 1.110 770 M CB -0.153 32.415 32.600 -0.053 0.000 1.328 770 M HN 0.132 nan 8.290 nan 0.000 0.405 771 K N 0.006 120.266 120.400 -0.233 0.000 2.057 771 K HA -0.038 4.270 4.320 -0.019 0.000 0.206 771 K C 1.929 178.217 176.600 -0.520 0.000 1.050 771 K CA 1.891 57.885 56.287 -0.489 0.000 0.935 771 K CB -0.984 31.099 32.500 -0.695 0.000 0.715 771 K HN 0.462 nan 8.250 nan 0.000 0.439 772 T N 1.722 116.093 114.554 -0.306 0.000 2.635 772 T HA -0.236 4.102 4.350 -0.019 0.000 0.267 772 T C 1.896 176.541 174.700 -0.090 0.000 1.040 772 T CA 1.754 63.753 62.100 -0.169 0.000 1.156 772 T CB -0.174 68.632 68.868 -0.104 0.000 0.863 772 T HN 0.369 nan 8.240 nan 0.000 0.430 773 Q N 0.467 120.213 119.800 -0.090 0.000 2.061 773 Q HA -0.140 4.188 4.340 -0.019 0.000 0.204 773 Q C 2.535 178.527 176.000 -0.014 0.000 0.984 773 Q CA 1.723 57.496 55.803 -0.051 0.000 0.846 773 Q CB -0.208 28.496 28.738 -0.057 0.000 0.902 773 Q HN 0.435 nan 8.270 nan 0.000 0.421 774 S N 0.182 115.873 115.700 -0.015 0.000 2.356 774 S HA -0.116 4.343 4.470 -0.019 0.000 0.223 774 S C 1.571 176.302 174.600 0.218 0.000 1.032 774 S CA 1.168 59.412 58.200 0.072 0.000 1.005 774 S CB -0.333 62.914 63.200 0.078 0.000 0.867 774 S HN 0.365 nan 8.310 nan 0.000 0.449 775 F N 1.344 121.263 119.950 -0.052 0.000 2.186 775 F HA -0.017 4.498 4.527 -0.019 0.000 0.299 775 F C 2.382 178.141 175.800 -0.069 0.000 1.090 775 F CA -0.180 57.784 58.000 -0.060 0.000 1.307 775 F CB -1.350 37.617 39.000 -0.056 0.000 1.019 775 F HN 0.015 nan 8.300 nan 0.000 0.489 776 V N 0.031 120.023 119.914 0.129 0.000 2.307 776 V HA -0.271 3.837 4.120 -0.019 0.000 0.245 776 V C 2.669 178.762 176.094 -0.002 0.000 1.045 776 V CA 1.671 63.992 62.300 0.034 0.000 1.024 776 V CB -1.411 30.419 31.823 0.011 0.000 0.651 776 V HN 0.310 nan 8.190 nan 0.000 0.449 777 A N -0.266 122.559 122.820 0.009 0.000 1.892 777 A HA -0.315 3.994 4.320 -0.019 0.000 0.218 777 A C 2.354 179.920 177.584 -0.029 0.000 1.188 777 A CA 2.426 54.456 52.037 -0.013 0.000 0.631 777 A CB -0.559 18.440 19.000 -0.003 0.000 0.822 777 A HN 0.519 nan 8.150 nan 0.000 0.447 778 K N -1.212 119.181 120.400 -0.011 0.000 2.057 778 K HA -0.158 4.151 4.320 -0.019 0.000 0.207 778 K C 2.161 178.713 176.600 -0.081 0.000 1.049 778 K CA 1.657 57.918 56.287 -0.043 0.000 0.931 778 K CB -0.219 32.253 32.500 -0.047 0.000 0.714 778 K HN 0.487 nan 8.250 nan 0.000 0.440 779 M N 1.057 120.605 119.600 -0.087 0.000 2.156 779 M HA -0.108 4.360 4.480 -0.019 0.000 0.264 779 M C 1.714 177.922 176.300 -0.153 0.000 1.067 779 M CA 1.525 56.753 55.300 -0.120 0.000 1.131 779 M CB -0.398 32.130 32.600 -0.121 0.000 1.368 779 M HN 0.187 nan 8.290 nan 0.000 0.416 780 L N 0.245 121.372 121.223 -0.159 0.000 2.376 780 L HA 0.027 4.355 4.340 -0.019 0.000 0.219 780 L C 1.354 178.105 176.870 -0.199 0.000 1.133 780 L CA 0.649 55.341 54.840 -0.246 0.000 0.816 780 L CB -0.961 40.982 42.059 -0.193 0.000 0.933 780 L HN 0.655 nan 8.230 nan 0.000 0.449 781 G N 0.527 109.254 108.800 -0.123 0.000 2.225 781 G HA2 -0.224 3.725 3.960 -0.019 0.000 0.264 781 G HA3 -0.224 3.725 3.960 -0.019 0.000 0.264 781 G C -0.144 174.720 174.900 -0.061 0.000 1.060 781 G CA 0.211 45.260 45.100 -0.085 0.000 0.833 781 G HN 0.142 nan 8.290 nan 0.000 0.498 782 V N -0.058 119.824 119.914 -0.053 0.000 2.914 782 V HA 0.640 4.749 4.120 -0.019 0.000 0.314 782 V C -1.810 174.270 176.094 -0.024 0.000 1.084 782 V CA -1.801 60.480 62.300 -0.032 0.000 0.963 782 V CB 2.234 34.042 31.823 -0.026 0.000 1.025 782 V HN 0.115 nan 8.190 nan 0.000 0.432 783 P HA 0.088 nan 4.420 nan 0.000 0.268 783 P C 0.884 178.175 177.300 -0.016 0.000 1.208 783 P CA 0.046 63.136 63.100 -0.016 0.000 0.777 783 P CB 0.552 32.243 31.700 -0.014 0.000 0.875 784 V N 1.400 121.305 119.914 -0.015 0.000 2.594 784 V HA -0.229 3.879 4.120 -0.019 0.000 0.253 784 V C 1.967 178.050 176.094 -0.018 0.000 1.069 784 V CA 2.201 64.492 62.300 -0.015 0.000 1.082 784 V CB -1.377 30.438 31.823 -0.015 0.000 0.680 784 V HN 0.679 nan 8.190 nan 0.000 0.469 785 N N 0.727 119.417 118.700 -0.017 0.000 2.519 785 N HA -0.187 4.542 4.740 -0.019 0.000 0.186 785 N C 1.578 177.078 175.510 -0.017 0.000 1.062 785 N CA 0.986 54.026 53.050 -0.017 0.000 0.910 785 N CB -0.411 38.068 38.487 -0.014 0.000 0.958 785 N HN 0.308 nan 8.380 nan 0.000 0.445 786 R N -0.169 120.322 120.500 -0.016 0.000 2.240 786 R HA 0.201 4.529 4.340 -0.019 0.000 0.203 786 R C 0.019 176.306 176.300 -0.020 0.000 1.011 786 R CA 0.065 56.157 56.100 -0.014 0.000 1.007 786 R CB 0.101 30.396 30.300 -0.008 0.000 0.911 786 R HN 0.274 nan 8.270 nan 0.000 0.468 787 I N 2.058 122.612 120.570 -0.026 0.000 2.336 787 I HA 0.228 4.386 4.170 -0.019 0.000 0.292 787 I C -0.258 175.827 176.117 -0.053 0.000 0.991 787 I CA -1.587 59.691 61.300 -0.037 0.000 1.227 787 I CB 1.246 39.227 38.000 -0.031 0.000 1.366 787 I HN -0.148 nan 8.210 nan 0.000 0.466 788 L N 8.519 129.696 121.223 -0.077 0.000 2.333 788 L HA 0.649 4.978 4.340 -0.019 0.000 0.280 788 L C -0.888 175.893 176.870 -0.148 0.000 1.004 788 L CA -0.352 54.427 54.840 -0.101 0.000 0.820 788 L CB 1.784 43.780 42.059 -0.106 0.000 1.247 788 L HN 0.271 nan 8.230 nan 0.000 0.416 789 V N 5.798 125.629 119.914 -0.138 0.000 2.487 789 V HA 0.631 4.739 4.120 -0.019 0.000 0.298 789 V C -0.192 175.803 176.094 -0.165 0.000 1.028 789 V CA -0.612 61.591 62.300 -0.160 0.000 0.860 789 V CB 1.736 33.493 31.823 -0.109 0.000 0.991 789 V HN 0.747 nan 8.190 nan 0.000 0.427 790 R N 3.106 123.473 120.500 -0.222 0.000 2.599 790 R HA 0.827 5.156 4.340 -0.019 0.000 0.295 790 R C -1.596 174.677 176.300 -0.045 0.000 0.963 790 R CA -0.718 55.294 56.100 -0.146 0.000 0.883 790 R CB 2.522 32.699 30.300 -0.205 0.000 1.171 790 R HN 0.498 nan 8.270 nan 0.000 0.450 791 V N 3.261 123.164 119.914 -0.018 0.000 2.419 791 V HA 0.173 4.281 4.120 -0.019 0.000 0.287 791 V C 0.695 176.797 176.094 0.015 0.000 1.017 791 V CA -0.723 61.580 62.300 0.006 0.000 0.844 791 V CB 1.412 33.217 31.823 -0.029 0.000 1.011 791 V HN 0.803 nan 8.190 nan 0.000 0.429 792 K N 4.162 124.584 120.400 0.037 0.000 2.005 792 K HA 0.147 4.455 4.320 -0.019 0.000 0.206 792 K C 0.741 177.343 176.600 0.004 0.000 1.044 792 K CA 1.126 57.420 56.287 0.012 0.000 0.942 792 K CB 0.332 32.827 32.500 -0.008 0.000 0.727 792 K HN 0.803 nan 8.250 nan 0.000 0.439 793 R N -1.003 119.483 120.500 -0.023 0.000 2.690 793 R HA 0.322 4.650 4.340 -0.019 0.000 0.269 793 R C -1.510 174.800 176.300 0.016 0.000 1.037 793 R CA -0.841 55.241 56.100 -0.030 0.000 0.877 793 R CB 0.774 31.018 30.300 -0.092 0.000 1.255 793 R HN -0.076 nan 8.270 nan 0.000 0.467 794 M N 0.883 120.496 119.600 0.022 0.000 2.508 794 M HA 0.395 4.864 4.480 -0.019 0.000 0.327 794 M C 0.636 177.009 176.300 0.122 0.000 1.160 794 M CA -0.676 54.641 55.300 0.029 0.000 0.980 794 M CB 2.329 34.860 32.600 -0.115 0.000 1.693 794 M HN 0.939 nan 8.290 nan 0.000 0.452 795 G N 1.683 110.549 108.800 0.109 0.000 3.401 795 G HA2 0.481 4.430 3.960 -0.019 0.000 0.251 795 G HA3 0.481 4.430 3.960 -0.019 0.000 0.251 795 G C 0.355 175.245 174.900 -0.018 0.000 0.960 795 G CA 0.259 45.356 45.100 -0.005 0.000 1.900 795 G HN 1.094 nan 8.290 nan 0.000 0.645 796 G N -1.270 107.472 108.800 -0.097 0.000 2.785 796 G HA2 0.350 4.299 3.960 -0.019 0.000 0.686 796 G HA3 0.350 4.299 3.960 -0.019 0.000 0.686 796 G C 0.531 175.212 174.900 -0.366 0.000 1.155 796 G CA -0.345 44.570 45.100 -0.310 0.000 0.760 796 G HN 1.188 nan 8.290 nan 0.000 0.624 797 G N -0.541 107.860 108.800 -0.665 0.000 2.604 797 G HA2 0.552 4.500 3.960 -0.019 0.000 0.202 797 G HA3 0.552 4.500 3.960 -0.019 0.000 0.202 797 G C 0.874 175.698 174.900 -0.127 0.000 1.212 797 G CA 0.821 45.715 45.100 -0.345 0.000 0.627 797 G HN 1.727 nan 8.290 nan 0.000 0.850 798 F N 0.787 120.767 119.950 0.049 0.000 3.048 798 F HA -0.203 4.313 4.527 -0.018 0.000 0.287 798 F C 1.953 177.782 175.800 0.049 0.000 0.796 798 F CA 0.939 58.968 58.000 0.048 0.000 1.111 798 F CB -1.460 37.531 39.000 -0.016 0.000 1.320 798 F HN 1.169 nan 8.300 nan 0.000 0.430 799 G N -1.030 107.841 108.800 0.118 0.000 2.254 799 G HA2 -0.194 3.755 3.960 -0.019 0.000 0.225 799 G HA3 -0.194 3.755 3.960 -0.019 0.000 0.225 799 G C 1.072 175.965 174.900 -0.012 0.000 1.003 799 G CA 0.062 45.261 45.100 0.164 0.000 0.622 799 G HN 1.218 nan 8.290 nan 0.000 0.507 800 G N -0.053 108.499 108.800 -0.413 0.000 2.744 800 G HA2 0.266 4.214 3.960 -0.019 0.000 0.211 800 G HA3 0.266 4.214 3.960 -0.019 0.000 0.211 800 G C 1.135 175.971 174.900 -0.107 0.000 1.143 800 G CA 1.208 45.906 45.100 -0.671 0.000 0.788 800 G HN 0.500 nan 8.290 nan 0.000 0.534 801 K N -0.156 120.163 120.400 -0.135 0.000 2.455 801 K HA 0.169 4.478 4.320 -0.019 0.000 0.206 801 K C 1.453 178.040 176.600 -0.022 0.000 1.027 801 K CA -0.060 56.160 56.287 -0.110 0.000 1.113 801 K CB 0.717 33.021 32.500 -0.327 0.000 0.850 801 K HN 0.382 nan 8.250 nan 0.000 0.503 802 E N 0.841 121.061 120.200 0.034 0.000 2.122 802 E HA -0.110 4.228 4.350 -0.019 0.000 0.190 802 E C 1.344 177.981 176.600 0.061 0.000 0.977 802 E CA 1.717 58.158 56.400 0.069 0.000 0.820 802 E CB 0.423 30.212 29.700 0.149 0.000 0.770 802 E HN 0.216 nan 8.360 nan 0.000 0.462 803 T N -3.021 111.588 114.554 0.092 0.000 3.051 803 T HA 0.233 4.571 4.350 -0.019 0.000 0.254 803 T C 1.563 176.316 174.700 0.088 0.000 0.916 803 T CA -0.599 61.544 62.100 0.072 0.000 0.894 803 T CB 0.027 68.972 68.868 0.129 0.000 1.251 803 T HN -0.082 nan 8.240 nan 0.000 0.517 804 R N 2.543 123.109 120.500 0.110 0.000 2.276 804 R HA 0.198 4.527 4.340 -0.019 0.000 0.203 804 R C 2.608 178.882 176.300 -0.043 0.000 1.017 804 R CA 1.054 57.188 56.100 0.055 0.000 1.010 804 R CB -0.994 29.343 30.300 0.062 0.000 0.900 804 R HN 0.720 nan 8.270 nan 0.000 0.469 805 S N 0.563 116.324 115.700 0.101 0.000 2.419 805 S HA -0.171 4.288 4.470 -0.019 0.000 0.235 805 S C 1.973 176.596 174.600 0.039 0.000 1.019 805 S CA 1.726 60.018 58.200 0.154 0.000 0.982 805 S CB -0.679 62.620 63.200 0.166 0.000 0.789 805 S HN 0.460 nan 8.310 nan 0.000 0.490 806 T N 0.654 115.229 114.554 0.035 0.000 3.007 806 T HA 0.150 4.488 4.350 -0.019 0.000 0.270 806 T C 1.723 176.450 174.700 0.045 0.000 1.107 806 T CA 0.798 62.937 62.100 0.065 0.000 1.118 806 T CB -0.797 68.176 68.868 0.176 0.000 0.889 806 T HN 0.430 nan 8.240 nan 0.000 0.506 807 L N 0.459 121.683 121.223 0.001 0.000 2.083 807 L HA -0.038 4.291 4.340 -0.019 0.000 0.209 807 L C 2.816 179.663 176.870 -0.038 0.000 1.083 807 L CA 0.923 55.745 54.840 -0.030 0.000 0.752 807 L CB -0.592 41.440 42.059 -0.044 0.000 0.899 807 L HN 0.217 nan 8.230 nan 0.000 0.433 808 V N -1.607 118.286 119.914 -0.035 0.000 2.500 808 V HA -0.127 3.981 4.120 -0.019 0.000 0.243 808 V C 2.486 178.589 176.094 0.015 0.000 1.039 808 V CA 1.447 63.748 62.300 0.002 0.000 1.053 808 V CB 0.174 32.014 31.823 0.027 0.000 0.695 808 V HN 0.296 nan 8.190 nan 0.000 0.463 809 S N 0.314 116.025 115.700 0.020 0.000 2.370 809 S HA -0.173 4.285 4.470 -0.019 0.000 0.226 809 S C 1.972 176.576 174.600 0.007 0.000 1.033 809 S CA 1.594 59.806 58.200 0.021 0.000 1.011 809 S CB -0.188 63.023 63.200 0.019 0.000 0.852 809 S HN 0.370 nan 8.310 nan 0.000 0.457 810 V N 1.517 121.425 119.914 -0.011 0.000 2.488 810 V HA -0.054 4.054 4.120 -0.019 0.000 0.246 810 V C 2.546 178.591 176.094 -0.082 0.000 1.046 810 V CA 1.365 63.639 62.300 -0.043 0.000 1.053 810 V CB -1.039 30.746 31.823 -0.064 0.000 0.679 810 V HN 0.518 nan 8.190 nan 0.000 0.458 811 A N -0.082 122.683 122.820 -0.093 0.000 1.902 811 A HA -0.142 4.166 4.320 -0.019 0.000 0.217 811 A C 2.367 179.979 177.584 0.046 0.000 1.181 811 A CA 2.002 54.013 52.037 -0.042 0.000 0.623 811 A CB -0.583 18.431 19.000 0.023 0.000 0.818 811 A HN 0.329 nan 8.150 nan 0.000 0.443 812 V N -0.186 119.749 119.914 0.036 0.000 2.358 812 V HA -0.203 3.905 4.120 -0.019 0.000 0.246 812 V C 3.048 179.169 176.094 0.046 0.000 1.047 812 V CA 1.747 64.074 62.300 0.044 0.000 1.035 812 V CB -1.204 30.644 31.823 0.042 0.000 0.658 812 V HN 0.610 nan 8.190 nan 0.000 0.452 813 A N 0.108 122.950 122.820 0.036 0.000 1.883 813 A HA -0.240 4.069 4.320 -0.019 0.000 0.217 813 A C 2.187 179.820 177.584 0.082 0.000 1.186 813 A CA 2.271 54.335 52.037 0.045 0.000 0.624 813 A CB -0.653 18.359 19.000 0.019 0.000 0.822 813 A HN 0.465 nan 8.150 nan 0.000 0.444 814 L N -0.226 121.038 121.223 0.069 0.000 2.012 814 L HA -0.105 4.224 4.340 -0.019 0.000 0.210 814 L C 2.652 179.623 176.870 0.167 0.000 1.073 814 L CA 2.383 57.298 54.840 0.126 0.000 0.748 814 L CB -0.774 41.353 42.059 0.112 0.000 0.891 814 L HN 0.345 nan 8.230 nan 0.000 0.431 815 A N -0.540 122.343 122.820 0.105 0.000 1.933 815 A HA -0.085 4.224 4.320 -0.019 0.000 0.218 815 A C 2.452 180.061 177.584 0.043 0.000 1.175 815 A CA 1.802 53.872 52.037 0.055 0.000 0.628 815 A CB -1.168 17.846 19.000 0.022 0.000 0.814 815 A HN 0.604 nan 8.150 nan 0.000 0.444 816 A N -1.240 121.618 122.820 0.063 0.000 1.902 816 A HA -0.103 4.206 4.320 -0.019 0.000 0.217 816 A C 2.143 179.767 177.584 0.067 0.000 1.181 816 A CA 1.679 53.750 52.037 0.057 0.000 0.623 816 A CB -0.886 18.148 19.000 0.057 0.000 0.818 816 A HN 0.803 nan 8.150 nan 0.000 0.443 817 Y N 0.381 120.683 120.300 0.004 0.000 2.128 817 Y HA -0.202 4.336 4.550 -0.019 0.000 0.284 817 Y C 2.322 178.226 175.900 0.006 0.000 1.154 817 Y CA 2.405 60.507 58.100 0.003 0.000 1.149 817 Y CB -0.118 38.344 38.460 0.003 0.000 0.976 817 Y HN 0.116 nan 8.280 nan 0.000 0.505 818 K N -0.296 120.060 120.400 -0.073 0.000 2.062 818 K HA -0.099 4.210 4.320 -0.019 0.000 0.205 818 K C 2.108 178.605 176.600 -0.172 0.000 1.051 818 K CA 1.852 58.041 56.287 -0.162 0.000 0.941 818 K CB -0.546 31.976 32.500 0.037 0.000 0.719 818 K HN 0.607 nan 8.250 nan 0.000 0.440 819 T N -3.589 110.902 114.554 -0.104 0.000 3.054 819 T HA 0.102 4.440 4.350 -0.019 0.000 0.259 819 T C 1.424 176.142 174.700 0.030 0.000 1.092 819 T CA 0.995 63.038 62.100 -0.095 0.000 1.121 819 T CB 0.119 68.884 68.868 -0.172 0.000 0.912 819 T HN 0.313 nan 8.240 nan 0.000 0.489 820 G N 1.246 110.046 108.800 0.001 0.000 2.189 820 G HA2 -0.247 3.701 3.960 -0.019 0.000 0.267 820 G HA3 -0.247 3.701 3.960 -0.019 0.000 0.267 820 G C -0.115 174.851 174.900 0.110 0.000 0.975 820 G CA 0.533 45.651 45.100 0.030 0.000 0.644 820 G HN 0.760 nan 8.290 nan 0.000 0.537 821 H N 0.665 119.686 119.070 -0.081 0.000 2.525 821 H HA 0.552 5.097 4.556 -0.019 0.000 0.340 821 H C -2.232 173.051 175.328 -0.075 0.000 1.168 821 H CA -2.132 53.869 56.048 -0.079 0.000 1.247 821 H CB 0.837 30.561 29.762 -0.062 0.000 1.568 821 H HN 0.051 nan 8.280 nan 0.000 0.536 822 P HA 0.047 nan 4.420 nan 0.000 0.268 822 P C -0.811 176.494 177.300 0.008 0.000 1.204 822 P CA 0.141 63.256 63.100 0.025 0.000 0.768 822 P CB 0.613 32.352 31.700 0.065 0.000 0.842 823 V N 4.072 123.977 119.914 -0.016 0.000 2.789 823 V HA 0.623 4.732 4.120 -0.019 0.000 0.311 823 V C 0.142 176.183 176.094 -0.088 0.000 1.073 823 V CA -0.647 61.602 62.300 -0.085 0.000 0.921 823 V CB 2.175 33.977 31.823 -0.035 0.000 1.009 823 V HN 0.596 nan 8.190 nan 0.000 0.426 824 R N 2.045 122.433 120.500 -0.187 0.000 2.867 824 R HA 0.926 5.254 4.340 -0.019 0.000 0.268 824 R C -1.435 174.878 176.300 0.022 0.000 1.014 824 R CA -0.650 55.405 56.100 -0.075 0.000 0.946 824 R CB 1.874 32.124 30.300 -0.083 0.000 1.208 824 R HN 0.689 nan 8.270 nan 0.000 0.477 825 C N 2.845 122.194 119.300 0.082 0.000 2.642 825 C HA 0.592 5.041 4.460 -0.019 0.000 0.344 825 C C -0.924 174.136 174.990 0.117 0.000 1.110 825 C CA -0.615 58.477 59.018 0.123 0.000 1.298 825 C CB 1.239 29.039 27.740 0.100 0.000 1.827 825 C HN 0.995 nan 8.230 nan 0.000 0.467 826 M N 7.038 126.717 119.600 0.131 0.000 2.243 826 M HA 0.570 5.038 4.480 -0.019 0.000 0.324 826 M C -1.232 175.126 176.300 0.096 0.000 1.031 826 M CA -0.512 54.850 55.300 0.103 0.000 0.949 826 M CB 1.049 33.704 32.600 0.093 0.000 1.615 826 M HN 0.699 nan 8.290 nan 0.000 0.430 827 L N 3.886 125.168 121.223 0.098 0.000 2.426 827 L HA 0.195 4.524 4.340 -0.019 0.000 0.271 827 L C 0.269 177.184 176.870 0.076 0.000 1.169 827 L CA -0.356 54.541 54.840 0.094 0.000 0.836 827 L CB 0.216 42.345 42.059 0.116 0.000 1.112 827 L HN 0.654 nan 8.230 nan 0.000 0.465 828 D N 1.274 121.714 120.400 0.068 0.000 2.382 828 D HA 0.001 4.629 4.640 -0.019 0.000 0.240 828 D C 1.011 177.340 176.300 0.048 0.000 1.146 828 D CA -0.105 53.928 54.000 0.056 0.000 0.897 828 D CB 1.145 41.982 40.800 0.062 0.000 1.197 828 D HN 0.372 nan 8.370 nan 0.000 0.432 829 R N 2.210 122.722 120.500 0.020 0.000 2.119 829 R HA -0.233 4.095 4.340 -0.019 0.000 0.246 829 R C 1.765 178.066 176.300 0.002 0.000 1.146 829 R CA 2.039 58.121 56.100 -0.031 0.000 0.962 829 R CB -0.185 30.083 30.300 -0.053 0.000 0.863 829 R HN 0.554 nan 8.270 nan 0.000 0.442 830 N N 0.386 119.111 118.700 0.041 0.000 2.166 830 N HA -0.210 4.519 4.740 -0.019 0.000 0.186 830 N C 1.167 176.712 175.510 0.059 0.000 1.019 830 N CA 1.975 55.057 53.050 0.054 0.000 0.856 830 N CB -0.407 38.124 38.487 0.074 0.000 0.993 830 N HN 0.502 nan 8.380 nan 0.000 0.426 831 E N 0.338 120.581 120.200 0.071 0.000 2.047 831 E HA -0.164 4.175 4.350 -0.019 0.000 0.191 831 E C 1.466 178.113 176.600 0.078 0.000 0.987 831 E CA 1.019 57.466 56.400 0.079 0.000 0.799 831 E CB -0.133 29.617 29.700 0.083 0.000 0.752 831 E HN 0.415 nan 8.360 nan 0.000 0.449 832 D N 0.780 121.232 120.400 0.087 0.000 2.104 832 D HA -0.162 4.466 4.640 -0.019 0.000 0.194 832 D C 2.022 178.383 176.300 0.102 0.000 0.994 832 D CA 1.187 55.268 54.000 0.134 0.000 0.830 832 D CB 0.051 40.969 40.800 0.197 0.000 0.959 832 D HN 0.142 nan 8.370 nan 0.000 0.452 833 M N -0.225 119.396 119.600 0.034 0.000 2.175 833 M HA -0.150 4.319 4.480 -0.019 0.000 0.264 833 M C 2.324 178.636 176.300 0.020 0.000 1.063 833 M CA 0.675 55.968 55.300 -0.010 0.000 1.119 833 M CB -0.119 32.439 32.600 -0.069 0.000 1.377 833 M HN 0.059 nan 8.290 nan 0.000 0.415 834 L N 0.531 121.779 121.223 0.040 0.000 2.044 834 L HA -0.068 4.261 4.340 -0.019 0.000 0.205 834 L C 1.989 178.907 176.870 0.080 0.000 1.075 834 L CA 1.879 56.754 54.840 0.059 0.000 0.747 834 L CB -0.206 41.892 42.059 0.065 0.000 0.903 834 L HN 0.182 nan 8.230 nan 0.000 0.435 835 I N -1.508 119.108 120.570 0.078 0.000 2.731 835 I HA -0.094 4.065 4.170 -0.019 0.000 0.260 835 I C 1.845 177.998 176.117 0.060 0.000 1.138 835 I CA 1.134 62.478 61.300 0.074 0.000 1.461 835 I CB -0.317 37.722 38.000 0.065 0.000 1.128 835 I HN 0.350 nan 8.210 nan 0.000 0.438 836 T N -1.467 113.127 114.554 0.067 0.000 3.107 836 T HA 0.448 4.786 4.350 -0.019 0.000 0.249 836 T C 0.967 175.756 174.700 0.148 0.000 1.096 836 T CA 0.211 62.346 62.100 0.058 0.000 1.012 836 T CB -0.164 68.722 68.868 0.031 0.000 0.977 836 T HN 0.480 nan 8.240 nan 0.000 0.527 837 G N -0.661 108.227 108.800 0.147 0.000 2.758 837 G HA2 0.357 4.306 3.960 -0.019 0.000 0.686 837 G HA3 0.357 4.306 3.960 -0.019 0.000 0.686 837 G C -0.112 174.932 174.900 0.240 0.000 1.389 837 G CA -0.576 44.618 45.100 0.157 0.000 0.845 837 G HN 1.067 nan 8.290 nan 0.000 0.572 838 G N -0.741 108.160 108.800 0.167 0.000 3.166 838 G HA2 0.767 4.715 3.960 -0.019 0.000 0.267 838 G HA3 0.767 4.715 3.960 -0.019 0.000 0.267 838 G C -0.032 174.963 174.900 0.157 0.000 1.256 838 G CA -0.029 45.141 45.100 0.116 0.000 0.859 838 G HN 0.849 nan 8.290 nan 0.000 0.590 839 R N 0.111 120.722 120.500 0.184 0.000 2.594 839 R HA 0.137 4.465 4.340 -0.019 0.000 0.272 839 R C -0.315 176.055 176.300 0.115 0.000 1.074 839 R CA -0.349 55.855 56.100 0.174 0.000 1.105 839 R CB 0.056 30.292 30.300 -0.107 0.000 1.008 839 R HN 0.589 nan 8.270 nan 0.000 0.472 840 H N 4.790 123.949 119.070 0.149 0.000 3.026 840 H HA 0.068 4.612 4.556 -0.019 0.000 0.289 840 H C -1.915 173.543 175.328 0.216 0.000 1.022 840 H CA -1.447 54.714 56.048 0.189 0.000 1.477 840 H CB 0.549 30.466 29.762 0.258 0.000 1.510 840 H HN 0.387 nan 8.280 nan 0.000 0.535 841 P HA 0.011 nan 4.420 nan 0.000 0.268 841 P C -0.574 176.867 177.300 0.236 0.000 1.205 841 P CA 0.594 63.751 63.100 0.095 0.000 0.771 841 P CB 0.358 32.123 31.700 0.110 0.000 0.858 842 F N 1.838 121.711 119.950 -0.128 0.000 2.532 842 F HA 0.501 5.017 4.527 -0.019 0.000 0.321 842 F C -0.029 175.824 175.800 0.088 0.000 1.089 842 F CA -1.113 56.923 58.000 0.061 0.000 0.926 842 F CB 1.712 40.782 39.000 0.116 0.000 1.168 842 F HN 0.090 nan 8.300 nan 0.000 0.459 843 L N 3.330 124.794 121.223 0.403 0.000 2.341 843 L HA 0.866 5.194 4.340 -0.019 0.000 0.278 843 L C -1.036 176.123 176.870 0.482 0.000 1.005 843 L CA -0.330 54.789 54.840 0.465 0.000 0.818 843 L CB 1.399 43.706 42.059 0.414 0.000 1.259 843 L HN 0.605 nan 8.230 nan 0.000 0.418 844 A N 5.198 128.276 122.820 0.429 0.000 2.355 844 A HA 0.858 5.166 4.320 -0.019 0.000 0.317 844 A C -0.760 177.034 177.584 0.350 0.000 1.094 844 A CA -0.716 51.533 52.037 0.353 0.000 0.764 844 A CB 1.031 20.206 19.000 0.293 0.000 1.230 844 A HN 0.741 nan 8.150 nan 0.000 0.448 845 R N 1.168 121.835 120.500 0.278 0.000 2.343 845 R HA 0.569 4.898 4.340 -0.019 0.000 0.320 845 R C -1.438 174.959 176.300 0.163 0.000 0.956 845 R CA -0.348 55.859 56.100 0.177 0.000 0.836 845 R CB 1.424 31.818 30.300 0.157 0.000 1.151 845 R HN 0.800 nan 8.270 nan 0.000 0.450 846 Y N -0.600 119.740 120.300 0.067 0.000 2.570 846 Y HA 0.678 5.216 4.550 -0.020 0.000 0.345 846 Y C -0.946 174.966 175.900 0.021 0.000 1.014 846 Y CA -1.380 56.743 58.100 0.039 0.000 1.063 846 Y CB 1.814 40.327 38.460 0.089 0.000 1.272 846 Y HN 0.303 nan 8.280 nan 0.000 0.477 847 K N 2.374 122.860 120.400 0.143 0.000 2.565 847 K HA 0.664 4.972 4.320 -0.019 0.000 0.249 847 K C -2.223 174.515 176.600 0.229 0.000 0.958 847 K CA -0.736 55.607 56.287 0.094 0.000 0.806 847 K CB 2.083 34.517 32.500 -0.110 0.000 1.194 847 K HN 0.750 nan 8.250 nan 0.000 0.434 848 V N 1.162 121.219 119.914 0.238 0.000 2.628 848 V HA 0.753 4.862 4.120 -0.019 0.000 0.306 848 V C 0.325 176.655 176.094 0.393 0.000 1.045 848 V CA -0.981 61.401 62.300 0.137 0.000 0.905 848 V CB 1.671 33.478 31.823 -0.027 0.000 0.997 848 V HN 0.833 nan 8.190 nan 0.000 0.436 849 G N 3.041 111.976 108.800 0.224 0.000 2.417 849 G HA2 0.804 4.752 3.960 -0.019 0.000 0.320 849 G HA3 0.804 4.752 3.960 -0.019 0.000 0.320 849 G C -1.147 173.821 174.900 0.112 0.000 1.204 849 G CA -0.492 44.684 45.100 0.127 0.000 0.923 849 G HN 0.859 nan 8.290 nan 0.000 0.466 850 F N 0.507 120.431 119.950 -0.044 0.000 2.664 850 F HA 0.775 5.291 4.527 -0.019 0.000 0.317 850 F C -0.502 175.280 175.800 -0.029 0.000 1.108 850 F CA -1.894 56.072 58.000 -0.056 0.000 0.957 850 F CB 1.396 40.371 39.000 -0.042 0.000 1.365 850 F HN 0.201 nan 8.300 nan 0.000 0.475 851 M N 1.501 121.163 119.600 0.102 0.000 2.291 851 M HA 0.337 4.806 4.480 -0.019 0.000 0.324 851 M C 0.955 177.321 176.300 0.109 0.000 1.148 851 M CA -0.454 54.866 55.300 0.033 0.000 1.104 851 M CB 1.244 33.863 32.600 0.032 0.000 1.483 851 M HN 0.788 nan 8.290 nan 0.000 0.467 852 K N 0.366 120.795 120.400 0.048 0.000 2.360 852 K HA -0.112 4.197 4.320 -0.019 0.000 0.201 852 K C 1.462 178.125 176.600 0.105 0.000 1.046 852 K CA 1.678 58.013 56.287 0.080 0.000 0.945 852 K CB -0.327 32.195 32.500 0.037 0.000 0.750 852 K HN 0.874 nan 8.250 nan 0.000 0.464 853 T N -2.970 111.636 114.554 0.088 0.000 3.072 853 T HA 0.045 4.383 4.350 -0.019 0.000 0.266 853 T C 1.489 176.241 174.700 0.087 0.000 1.127 853 T CA 0.901 63.047 62.100 0.076 0.000 1.107 853 T CB 0.075 68.973 68.868 0.050 0.000 0.910 853 T HN 0.359 nan 8.240 nan 0.000 0.513 854 G N 0.531 109.414 108.800 0.139 0.000 2.195 854 G HA2 -0.235 3.713 3.960 -0.019 0.000 0.246 854 G HA3 -0.235 3.713 3.960 -0.019 0.000 0.246 854 G C 0.231 175.160 174.900 0.049 0.000 0.984 854 G CA 0.072 45.224 45.100 0.087 0.000 0.633 854 G HN 0.689 nan 8.290 nan 0.000 0.525 855 T N 2.988 117.580 114.554 0.063 0.000 2.834 855 T HA 0.476 4.814 4.350 -0.019 0.000 0.298 855 T C 0.894 175.617 174.700 0.038 0.000 0.966 855 T CA 0.011 62.119 62.100 0.013 0.000 1.141 855 T CB 0.819 69.686 68.868 -0.002 0.000 0.905 855 T HN 0.238 nan 8.240 nan 0.000 0.535 856 I N 4.837 125.393 120.570 -0.023 0.000 2.441 856 I HA 0.129 4.288 4.170 -0.019 0.000 0.287 856 I C 1.418 177.479 176.117 -0.094 0.000 1.049 856 I CA -0.185 61.087 61.300 -0.048 0.000 1.381 856 I CB 0.839 38.764 38.000 -0.124 0.000 1.409 856 I HN 0.533 nan 8.210 nan 0.000 0.523 857 V N 2.416 122.255 119.914 -0.125 0.000 3.539 857 V HA 0.695 4.804 4.120 -0.019 0.000 0.262 857 V C 0.468 176.378 176.094 -0.306 0.000 1.381 857 V CA 0.309 62.501 62.300 -0.179 0.000 1.060 857 V CB 0.570 32.306 31.823 -0.145 0.000 0.842 857 V HN 0.769 nan 8.190 nan 0.000 0.445 858 A N 0.707 123.268 122.820 -0.432 0.000 2.517 858 A HA 0.844 5.152 4.320 -0.019 0.000 0.297 858 A C -1.858 175.380 177.584 -0.578 0.000 1.050 858 A CA -0.402 51.203 52.037 -0.719 0.000 0.694 858 A CB 2.220 20.260 19.000 -1.599 0.000 1.277 858 A HN 0.747 nan 8.150 nan 0.000 0.400 859 L N 0.893 121.872 121.223 -0.407 0.000 2.464 859 L HA 0.758 5.086 4.340 -0.019 0.000 0.266 859 L C -0.705 176.141 176.870 -0.040 0.000 0.965 859 L CA 0.012 54.693 54.840 -0.265 0.000 0.833 859 L CB 1.984 43.789 42.059 -0.423 0.000 1.296 859 L HN 0.822 nan 8.230 nan 0.000 0.405 860 E N 3.936 124.198 120.200 0.103 0.000 2.218 860 E HA 0.700 5.038 4.350 -0.019 0.000 0.263 860 E C -1.962 174.689 176.600 0.085 0.000 0.879 860 E CA -0.632 55.846 56.400 0.129 0.000 0.762 860 E CB 1.784 31.609 29.700 0.210 0.000 1.166 860 E HN 0.480 nan 8.360 nan 0.000 0.415 861 V N 3.926 123.877 119.914 0.062 0.000 2.577 861 V HA 0.345 4.453 4.120 -0.019 0.000 0.303 861 V C -0.913 175.146 176.094 -0.058 0.000 1.042 861 V CA -1.033 61.267 62.300 0.001 0.000 0.872 861 V CB 1.921 33.696 31.823 -0.081 0.000 0.998 861 V HN 0.691 nan 8.190 nan 0.000 0.423 862 D N 2.622 122.981 120.400 -0.068 0.000 2.349 862 D HA 0.448 5.076 4.640 -0.019 0.000 0.232 862 D C -0.478 175.710 176.300 -0.187 0.000 1.071 862 D CA -0.232 53.700 54.000 -0.113 0.000 0.832 862 D CB 1.188 41.969 40.800 -0.032 0.000 1.086 862 D HN 0.614 nan 8.370 nan 0.000 0.504 863 H N 1.125 120.112 119.070 -0.138 0.000 2.467 863 H HA 0.413 4.958 4.556 -0.019 0.000 0.331 863 H C -0.728 174.356 175.328 -0.406 0.000 1.120 863 H CA -0.293 55.740 56.048 -0.024 0.000 1.270 863 H CB 0.892 30.751 29.762 0.162 0.000 1.466 863 H HN 0.308 nan 8.280 nan 0.000 0.504 864 Y N 0.471 120.810 120.300 0.066 0.000 2.346 864 Y HA 0.320 4.858 4.550 -0.020 0.000 0.332 864 Y C -0.290 175.425 175.900 -0.310 0.000 0.985 864 Y CA -0.928 57.135 58.100 -0.062 0.000 1.112 864 Y CB 1.833 40.335 38.460 0.069 0.000 1.170 864 Y HN 0.669 nan 8.280 nan 0.000 0.447 865 S N 1.691 117.191 115.700 -0.332 0.000 2.565 865 S HA 0.391 4.849 4.470 -0.019 0.000 0.290 865 S C -0.569 174.027 174.600 -0.006 0.000 1.150 865 S CA -0.964 56.960 58.200 -0.460 0.000 1.058 865 S CB 1.505 64.275 63.200 -0.716 0.000 1.032 865 S HN 0.632 nan 8.310 nan 0.000 0.510 866 N N 1.373 120.120 118.700 0.079 0.000 2.482 866 N HA 0.331 5.060 4.740 -0.019 0.000 0.242 866 N C 0.745 176.332 175.510 0.127 0.000 1.100 866 N CA -0.164 52.947 53.050 0.101 0.000 0.946 866 N CB 1.002 39.537 38.487 0.080 0.000 1.227 866 N HN 0.792 nan 8.380 nan 0.000 0.508 867 A N 2.452 125.392 122.820 0.199 0.000 2.123 867 A HA 0.343 4.652 4.320 -0.019 0.000 0.214 867 A C 1.234 178.907 177.584 0.149 0.000 1.152 867 A CA 0.914 53.111 52.037 0.267 0.000 0.728 867 A CB -0.621 18.649 19.000 0.449 0.000 0.814 867 A HN 0.847 nan 8.150 nan 0.000 0.464 868 G N 0.636 109.500 108.800 0.106 0.000 2.593 868 G HA2 -0.290 3.659 3.960 -0.019 0.000 0.237 868 G HA3 -0.290 3.659 3.960 -0.019 0.000 0.237 868 G C 0.194 175.178 174.900 0.141 0.000 1.312 868 G CA 0.238 45.370 45.100 0.053 0.000 0.896 868 G HN 1.100 nan 8.290 nan 0.000 0.574 869 N N 0.421 119.156 118.700 0.059 0.000 2.276 869 N HA 0.335 5.063 4.740 -0.019 0.000 0.212 869 N C 0.486 176.051 175.510 0.092 0.000 1.127 869 N CA 1.134 54.217 53.050 0.055 0.000 0.834 869 N CB 0.014 38.436 38.487 -0.108 0.000 1.014 869 N HN 1.732 nan 8.380 nan 0.000 0.491 870 S N -1.574 114.168 115.700 0.069 0.000 2.615 870 S HA 0.477 4.936 4.470 -0.019 0.000 0.269 870 S C 0.479 174.833 174.600 -0.410 0.000 1.161 870 S CA -0.927 57.205 58.200 -0.114 0.000 0.817 870 S CB 1.932 65.108 63.200 -0.039 0.000 1.131 870 S HN -0.009 nan 8.310 nan 0.000 0.467 871 R N 0.604 120.752 120.500 -0.587 0.000 2.062 871 R HA 0.069 4.397 4.340 -0.019 0.000 0.231 871 R C 0.837 177.099 176.300 -0.064 0.000 1.136 871 R CA 1.616 57.379 56.100 -0.561 0.000 0.948 871 R CB -0.808 29.147 30.300 -0.574 0.000 0.845 871 R HN 0.888 nan 8.270 nan 0.000 0.430 872 D N -1.091 119.403 120.400 0.157 0.000 3.417 872 D HA -0.287 4.341 4.640 -0.019 0.000 0.163 872 D C 0.216 176.737 176.300 0.368 0.000 1.070 872 D CA 2.057 56.217 54.000 0.268 0.000 1.047 872 D CB -0.751 40.169 40.800 0.201 0.000 0.514 872 D HN 0.090 nan 8.370 nan 0.000 0.532 873 L N 0.307 121.721 121.223 0.318 0.000 2.627 873 L HA 0.206 4.535 4.340 -0.019 0.000 0.232 873 L C 2.087 179.042 176.870 0.143 0.000 1.150 873 L CA 0.216 55.248 54.840 0.321 0.000 0.917 873 L CB -0.101 42.183 42.059 0.375 0.000 1.104 873 L HN 0.158 nan 8.230 nan 0.000 0.445 874 S N -0.574 115.197 115.700 0.118 0.000 2.383 874 S HA -0.262 4.196 4.470 -0.019 0.000 0.229 874 S C 1.909 176.457 174.600 -0.086 0.000 1.030 874 S CA 1.596 59.767 58.200 -0.048 0.000 1.002 874 S CB -0.253 63.017 63.200 0.116 0.000 0.829 874 S HN 0.615 nan 8.310 nan 0.000 0.467 875 H N 1.021 120.046 119.070 -0.076 0.000 2.326 875 H HA 0.057 4.602 4.556 -0.019 0.000 0.301 875 H C 2.214 177.538 175.328 -0.007 0.000 1.081 875 H CA 1.819 57.821 56.048 -0.076 0.000 1.334 875 H CB -0.253 29.442 29.762 -0.112 0.000 1.385 875 H HN 0.216 nan 8.280 nan 0.000 0.504 876 S N -0.385 115.452 115.700 0.228 0.000 2.402 876 S HA -0.068 4.390 4.470 -0.019 0.000 0.229 876 S C 2.144 176.873 174.600 0.216 0.000 1.021 876 S CA 1.115 59.513 58.200 0.331 0.000 0.974 876 S CB -0.139 63.419 63.200 0.597 0.000 0.800 876 S HN 0.384 nan 8.310 nan 0.000 0.484 877 I N 0.623 121.061 120.570 -0.219 0.000 2.252 877 I HA -0.178 3.980 4.170 -0.019 0.000 0.245 877 I C 2.391 178.424 176.117 -0.140 0.000 1.102 877 I CA 1.027 62.033 61.300 -0.490 0.000 1.385 877 I CB -0.195 37.345 38.000 -0.766 0.000 1.064 877 I HN 0.310 nan 8.210 nan 0.000 0.414 878 M N 0.839 120.342 119.600 -0.161 0.000 2.175 878 M HA -0.166 4.303 4.480 -0.019 0.000 0.264 878 M C 2.003 178.208 176.300 -0.158 0.000 1.063 878 M CA 1.810 57.038 55.300 -0.120 0.000 1.119 878 M CB -0.408 32.052 32.600 -0.233 0.000 1.377 878 M HN 0.088 nan 8.290 nan 0.000 0.415 879 E N -0.628 119.458 120.200 -0.189 0.000 2.051 879 E HA -0.259 4.080 4.350 -0.019 0.000 0.192 879 E C 2.202 178.754 176.600 -0.079 0.000 0.991 879 E CA 1.421 57.715 56.400 -0.177 0.000 0.799 879 E CB -0.293 29.414 29.700 0.011 0.000 0.748 879 E HN 0.516 nan 8.360 nan 0.000 0.449 880 R N 0.703 121.337 120.500 0.223 0.000 2.081 880 R HA -0.148 4.181 4.340 -0.019 0.000 0.235 880 R C 2.267 178.740 176.300 0.289 0.000 1.131 880 R CA 1.316 57.672 56.100 0.425 0.000 0.960 880 R CB -0.217 30.352 30.300 0.448 0.000 0.856 880 R HN 0.138 nan 8.270 nan 0.000 0.436 881 A N 1.181 124.048 122.820 0.078 0.000 1.883 881 A HA -0.170 4.139 4.320 -0.019 0.000 0.217 881 A C 2.198 179.752 177.584 -0.051 0.000 1.186 881 A CA 1.484 53.497 52.037 -0.041 0.000 0.624 881 A CB -0.657 18.260 19.000 -0.138 0.000 0.822 881 A HN 0.372 nan 8.150 nan 0.000 0.444 882 L N -1.996 119.148 121.223 -0.132 0.000 2.083 882 L HA -0.152 4.177 4.340 -0.019 0.000 0.209 882 L C 2.405 179.342 176.870 0.111 0.000 1.083 882 L CA 1.194 55.984 54.840 -0.083 0.000 0.752 882 L CB -0.592 41.374 42.059 -0.154 0.000 0.899 882 L HN 0.439 nan 8.230 nan 0.000 0.433 883 F N -1.016 118.950 119.950 0.027 0.000 2.451 883 F HA -0.167 4.349 4.527 -0.020 0.000 0.299 883 F C 2.072 177.830 175.800 -0.069 0.000 1.101 883 F CA 0.661 58.516 58.000 -0.242 0.000 1.436 883 F CB -0.044 38.698 39.000 -0.430 0.000 1.074 883 F HN 0.231 nan 8.300 nan 0.000 0.553 884 H N -0.317 118.930 119.070 0.295 0.000 2.674 884 H HA 0.161 4.705 4.556 -0.020 0.000 0.274 884 H C 1.872 177.265 175.328 0.109 0.000 1.121 884 H CA 0.235 56.393 56.048 0.183 0.000 1.132 884 H CB -0.005 29.765 29.762 0.014 0.000 1.606 884 H HN 0.410 nan 8.280 nan 0.000 0.558 885 M N 0.360 120.073 119.600 0.188 0.000 2.632 885 M HA -0.047 4.421 4.480 -0.019 0.000 0.256 885 M C 0.819 177.180 176.300 0.102 0.000 1.080 885 M CA 1.340 56.730 55.300 0.149 0.000 1.084 885 M CB -0.071 32.654 32.600 0.208 0.000 1.439 885 M HN -0.075 nan 8.290 nan 0.000 0.509 886 D N -0.837 119.575 120.400 0.020 0.000 2.354 886 D HA -0.017 4.611 4.640 -0.019 0.000 0.209 886 D C 0.881 177.222 176.300 0.068 0.000 1.015 886 D CA 0.183 54.224 54.000 0.067 0.000 0.867 886 D CB -0.513 40.343 40.800 0.092 0.000 0.933 886 D HN 0.464 nan 8.370 nan 0.000 0.520 887 N N 0.518 119.231 118.700 0.022 0.000 1.154 887 N HA -0.317 4.412 4.740 -0.019 0.000 0.135 887 N C 0.047 175.479 175.510 -0.130 0.000 0.562 887 N CA 2.660 55.651 53.050 -0.098 0.000 0.947 887 N CB -1.231 37.108 38.487 -0.246 0.000 1.354 887 N HN 0.352 nan 8.380 nan 0.000 0.505 888 C N -0.133 118.809 119.300 -0.596 0.000 2.668 888 C HA 0.405 4.853 4.460 -0.019 0.000 0.301 888 C C -0.594 173.980 174.990 -0.694 0.000 1.351 888 C CA -0.522 58.272 59.018 -0.372 0.000 1.757 888 C CB -2.031 25.509 27.740 -0.334 0.000 2.179 888 C HN 0.338 nan 8.230 nan 0.000 0.586 889 Y N 0.559 120.607 120.300 -0.419 0.000 2.352 889 Y HA 0.441 4.979 4.550 -0.019 0.000 0.339 889 Y C 0.290 175.553 175.900 -1.062 0.000 0.992 889 Y CA -1.000 56.726 58.100 -0.622 0.000 1.100 889 Y CB 0.827 39.147 38.460 -0.234 0.000 1.192 889 Y HN -0.160 nan 8.280 nan 0.000 0.458 890 K N 3.864 123.750 120.400 -0.857 0.000 2.349 890 K HA 0.451 4.760 4.320 -0.019 0.000 0.288 890 K C -1.477 174.971 176.600 -0.254 0.000 1.058 890 K CA 0.272 56.197 56.287 -0.604 0.000 0.953 890 K CB -0.075 32.200 32.500 -0.376 0.000 0.997 890 K HN 0.677 nan 8.250 nan 0.000 0.477 891 I N 8.246 128.718 120.570 -0.164 0.000 2.517 891 I HA 0.234 4.393 4.170 -0.019 0.000 0.280 891 I C -1.794 174.270 176.117 -0.088 0.000 1.061 891 I CA -1.967 59.261 61.300 -0.121 0.000 1.091 891 I CB 2.086 40.021 38.000 -0.109 0.000 1.205 891 I HN 0.596 nan 8.210 nan 0.000 0.459 892 P HA -0.032 nan 4.420 nan 0.000 0.218 892 P C -0.353 176.905 177.300 -0.071 0.000 1.149 892 P CA 1.225 64.281 63.100 -0.074 0.000 0.817 892 P CB 0.196 31.846 31.700 -0.084 0.000 0.785 893 N N 0.127 118.758 118.700 -0.115 0.000 2.448 893 N HA 0.427 5.155 4.740 -0.019 0.000 0.279 893 N C -0.961 174.467 175.510 -0.137 0.000 1.025 893 N CA -0.307 52.670 53.050 -0.122 0.000 0.898 893 N CB 2.266 40.644 38.487 -0.183 0.000 1.303 893 N HN 0.014 nan 8.380 nan 0.000 0.495 894 I N 0.797 121.336 120.570 -0.052 0.000 2.692 894 I HA 0.415 4.574 4.170 -0.019 0.000 0.293 894 I C -1.481 174.666 176.117 0.050 0.000 1.200 894 I CA -0.660 60.628 61.300 -0.021 0.000 1.036 894 I CB 2.409 40.405 38.000 -0.007 0.000 1.258 894 I HN 0.358 nan 8.210 nan 0.000 0.421 895 R N 5.141 125.680 120.500 0.065 0.000 2.515 895 R HA 0.643 4.972 4.340 -0.019 0.000 0.291 895 R C -1.462 174.907 176.300 0.116 0.000 1.046 895 R CA -0.581 55.580 56.100 0.102 0.000 0.914 895 R CB 1.921 32.278 30.300 0.094 0.000 1.191 895 R HN 0.804 nan 8.270 nan 0.000 0.435 896 G N 1.940 110.833 108.800 0.154 0.000 2.530 896 G HA2 0.480 4.429 3.960 -0.019 0.000 0.316 896 G HA3 0.480 4.429 3.960 -0.019 0.000 0.316 896 G C -0.602 174.395 174.900 0.162 0.000 1.298 896 G CA -0.420 44.798 45.100 0.198 0.000 0.948 896 G HN 0.557 nan 8.290 nan 0.000 0.486 897 T N -0.902 113.737 114.554 0.141 0.000 2.924 897 T HA 0.849 5.188 4.350 -0.019 0.000 0.291 897 T C 0.031 174.754 174.700 0.039 0.000 1.045 897 T CA -0.629 61.494 62.100 0.039 0.000 1.015 897 T CB 2.371 71.210 68.868 -0.050 0.000 1.103 897 T HN 1.144 nan 8.240 nan 0.000 0.496 898 G N 0.485 109.220 108.800 -0.109 0.000 2.701 898 G HA2 0.624 4.573 3.960 -0.019 0.000 0.300 898 G HA3 0.624 4.573 3.960 -0.019 0.000 0.300 898 G C -1.543 173.184 174.900 -0.288 0.000 1.410 898 G CA -0.947 44.043 45.100 -0.183 0.000 1.014 898 G HN 0.728 nan 8.290 nan 0.000 0.509 899 R N 0.612 120.894 120.500 -0.363 0.000 2.686 899 R HA 0.639 4.967 4.340 -0.019 0.000 0.286 899 R C -0.721 175.527 176.300 -0.086 0.000 0.969 899 R CA -0.823 55.099 56.100 -0.296 0.000 0.898 899 R CB 1.568 31.572 30.300 -0.494 0.000 1.183 899 R HN 0.434 nan 8.270 nan 0.000 0.456 900 L N 3.138 124.388 121.223 0.046 0.000 2.272 900 L HA 0.498 4.826 4.340 -0.019 0.000 0.289 900 L C -0.445 176.613 176.870 0.313 0.000 1.032 900 L CA -0.959 53.981 54.840 0.166 0.000 0.810 900 L CB 1.516 43.711 42.059 0.226 0.000 1.205 900 L HN 0.514 nan 8.230 nan 0.000 0.422 901 C N 3.045 122.498 119.300 0.255 0.000 2.415 901 C HA 0.181 4.630 4.460 -0.019 0.000 0.369 901 C C 0.777 175.728 174.990 -0.066 0.000 1.279 901 C CA -0.722 58.375 59.018 0.131 0.000 1.886 901 C CB 0.285 28.084 27.740 0.099 0.000 2.468 901 C HN 0.698 nan 8.230 nan 0.000 0.553 902 K N 3.412 123.584 120.400 -0.379 0.000 2.267 902 K HA 0.433 4.741 4.320 -0.019 0.000 0.282 902 K C 0.069 176.475 176.600 -0.322 0.000 1.078 902 K CA 0.209 56.118 56.287 -0.631 0.000 0.903 902 K CB 0.429 32.250 32.500 -1.132 0.000 1.111 902 K HN 0.923 nan 8.250 nan 0.000 0.475 903 T N 0.190 114.642 114.554 -0.169 0.000 2.883 903 T HA 0.303 4.641 4.350 -0.019 0.000 0.296 903 T C -0.111 174.509 174.700 -0.134 0.000 1.117 903 T CA -1.095 60.914 62.100 -0.152 0.000 1.006 903 T CB 1.117 69.910 68.868 -0.124 0.000 1.191 903 T HN 0.474 nan 8.240 nan 0.000 0.508 904 N N 1.609 120.215 118.700 -0.156 0.000 3.091 904 N HA 0.284 5.012 4.740 -0.019 0.000 0.301 904 N C -0.706 174.738 175.510 -0.111 0.000 1.325 904 N CA 0.013 52.977 53.050 -0.144 0.000 1.143 904 N CB -0.359 38.040 38.487 -0.146 0.000 1.450 904 N HN 0.500 nan 8.380 nan 0.000 0.542 905 L N -0.247 120.912 121.223 -0.106 0.000 2.323 905 L HA 0.359 4.687 4.340 -0.019 0.000 0.265 905 L C 0.597 177.440 176.870 -0.046 0.000 1.012 905 L CA -0.900 53.886 54.840 -0.089 0.000 0.820 905 L CB 1.556 43.519 42.059 -0.160 0.000 1.334 905 L HN -0.049 nan 8.230 nan 0.000 0.427 906 S N 0.616 116.315 115.700 -0.002 0.000 2.573 906 S HA -0.060 4.399 4.470 -0.019 0.000 0.297 906 S C 0.247 174.849 174.600 0.003 0.000 1.280 906 S CA -0.070 58.136 58.200 0.011 0.000 1.061 906 S CB 0.526 63.761 63.200 0.059 0.000 0.812 906 S HN 0.583 nan 8.310 nan 0.000 0.500 907 S N 3.119 118.821 115.700 0.003 0.000 2.525 907 S HA 0.079 4.537 4.470 -0.019 0.000 0.285 907 S C 0.241 174.846 174.600 0.008 0.000 1.283 907 S CA -0.626 57.583 58.200 0.014 0.000 1.072 907 S CB -0.180 63.038 63.200 0.029 0.000 0.867 907 S HN 0.615 nan 8.310 nan 0.000 0.492 908 N N 2.678 121.323 118.700 -0.092 0.000 2.463 908 N HA 0.434 5.162 4.740 -0.019 0.000 0.270 908 N C 0.166 175.639 175.510 -0.062 0.000 1.205 908 N CA -0.158 52.753 53.050 -0.233 0.000 0.974 908 N CB 1.594 39.665 38.487 -0.693 0.000 1.197 908 N HN 0.671 nan 8.380 nan 0.000 0.504 909 T N -1.225 113.415 114.554 0.142 0.000 2.590 909 T HA 0.626 4.965 4.350 -0.019 0.000 0.282 909 T C -1.161 173.800 174.700 0.436 0.000 0.989 909 T CA -0.516 61.790 62.100 0.345 0.000 1.091 909 T CB 0.482 69.531 68.868 0.303 0.000 1.460 909 T HN 0.483 nan 8.240 nan 0.000 0.499 910 A N 1.070 124.154 122.820 0.439 0.000 2.511 910 A HA 0.557 4.866 4.320 -0.019 0.000 0.242 910 A C -0.736 177.246 177.584 0.664 0.000 1.069 910 A CA 0.206 52.575 52.037 0.553 0.000 0.763 910 A CB -0.709 18.689 19.000 0.663 0.000 1.001 910 A HN 0.698 nan 8.150 nan 0.000 0.498 911 F N 1.943 122.175 119.950 0.471 0.000 2.588 911 F HA 0.423 4.939 4.527 -0.018 0.000 0.318 911 F C 0.482 176.476 175.800 0.323 0.000 1.155 911 F CA -1.066 57.187 58.000 0.423 0.000 0.967 911 F CB 1.232 40.324 39.000 0.153 0.000 1.236 911 F HN 0.788 nan 8.300 nan 0.000 0.455 912 R N 4.019 124.967 120.500 0.746 0.000 4.098 912 R HA -0.016 4.313 4.340 -0.019 0.000 0.151 912 R C 0.955 177.443 176.300 0.314 0.000 0.451 912 R CA 2.059 58.444 56.100 0.475 0.000 0.858 912 R CB -0.600 29.988 30.300 0.479 0.000 1.051 912 R HN 1.164 nan 8.270 nan 0.000 0.263 913 G N 3.583 112.536 108.800 0.255 0.000 2.424 913 G HA2 -0.316 3.633 3.960 -0.019 0.000 0.207 913 G HA3 -0.316 3.633 3.960 -0.019 0.000 0.207 913 G C 0.327 175.511 174.900 0.473 0.000 1.061 913 G CA -0.030 45.228 45.100 0.264 0.000 0.657 913 G HN 0.872 nan 8.290 nan 0.000 0.508 914 F N 0.694 120.783 119.950 0.231 0.000 3.040 914 F HA 0.067 4.583 4.527 -0.020 0.000 0.298 914 F C 1.729 177.607 175.800 0.129 0.000 0.948 914 F CA 2.487 60.618 58.000 0.219 0.000 1.022 914 F CB -0.988 38.154 39.000 0.237 0.000 1.023 914 F HN 2.116 nan 8.300 nan 0.000 0.742 915 G N -0.575 108.259 108.800 0.056 0.000 2.241 915 G HA2 -0.263 3.685 3.960 -0.019 0.000 0.244 915 G HA3 -0.263 3.685 3.960 -0.019 0.000 0.244 915 G C 1.516 176.324 174.900 -0.152 0.000 0.998 915 G CA 0.731 45.767 45.100 -0.107 0.000 0.621 915 G HN 1.540 nan 8.290 nan 0.000 0.519 916 G N 1.713 110.494 108.800 -0.031 0.000 2.459 916 G HA2 0.050 3.998 3.960 -0.019 0.000 0.217 916 G HA3 0.050 3.998 3.960 -0.019 0.000 0.217 916 G C 0.119 174.966 174.900 -0.089 0.000 1.183 916 G CA 2.013 47.029 45.100 -0.141 0.000 0.776 916 G HN 0.543 nan 8.290 nan 0.000 0.552 917 P HA -0.085 nan 4.420 nan 0.000 0.215 917 P C 1.760 179.132 177.300 0.120 0.000 1.153 917 P CA 1.343 64.544 63.100 0.169 0.000 0.853 917 P CB -0.023 31.788 31.700 0.185 0.000 0.788 918 Q N -0.379 119.337 119.800 -0.138 0.000 2.061 918 Q HA -0.119 4.209 4.340 -0.019 0.000 0.204 918 Q C 2.267 178.184 176.000 -0.139 0.000 0.984 918 Q CA 2.163 57.804 55.803 -0.270 0.000 0.846 918 Q CB -1.302 26.844 28.738 -0.986 0.000 0.902 918 Q HN 0.197 nan 8.270 nan 0.000 0.421 919 A N -0.142 122.550 122.820 -0.213 0.000 1.970 919 A HA -0.007 4.301 4.320 -0.019 0.000 0.216 919 A C 1.974 179.533 177.584 -0.042 0.000 1.170 919 A CA 0.654 52.673 52.037 -0.031 0.000 0.645 919 A CB -0.401 18.568 19.000 -0.053 0.000 0.816 919 A HN 0.305 nan 8.150 nan 0.000 0.447 920 L N -1.958 119.130 121.223 -0.224 0.000 2.156 920 L HA -0.084 4.244 4.340 -0.019 0.000 0.208 920 L C 2.378 178.997 176.870 -0.417 0.000 1.095 920 L CA 1.183 55.667 54.840 -0.593 0.000 0.770 920 L CB -0.469 40.734 42.059 -1.427 0.000 0.914 920 L HN 0.508 nan 8.230 nan 0.000 0.439 921 F N 1.016 120.904 119.950 -0.104 0.000 2.075 921 F HA -0.213 4.302 4.527 -0.020 0.000 0.297 921 F C 2.258 178.059 175.800 0.003 0.000 1.113 921 F CA 1.476 59.589 58.000 0.189 0.000 1.218 921 F CB -0.220 38.908 39.000 0.214 0.000 0.984 921 F HN -0.132 nan 8.300 nan 0.000 0.472 922 I N 0.587 121.128 120.570 -0.050 0.000 2.151 922 I HA -0.388 3.771 4.170 -0.019 0.000 0.243 922 I C 2.706 178.567 176.117 -0.425 0.000 1.080 922 I CA 1.507 62.705 61.300 -0.169 0.000 1.339 922 I CB -1.001 37.061 38.000 0.102 0.000 1.039 922 I HN 0.293 nan 8.210 nan 0.000 0.409 923 A N 0.151 122.729 122.820 -0.405 0.000 1.877 923 A HA -0.193 4.116 4.320 -0.019 0.000 0.216 923 A C 2.239 179.050 177.584 -1.288 0.000 1.186 923 A CA 1.544 53.058 52.037 -0.872 0.000 0.620 923 A CB -0.449 18.338 19.000 -0.356 0.000 0.822 923 A HN 0.348 nan 8.150 nan 0.000 0.443 924 E N -0.118 119.650 120.200 -0.719 0.000 2.150 924 E HA -0.177 4.161 4.350 -0.019 0.000 0.193 924 E C 1.768 177.804 176.600 -0.940 0.000 0.985 924 E CA 1.233 57.160 56.400 -0.788 0.000 0.814 924 E CB -0.503 28.816 29.700 -0.636 0.000 0.752 924 E HN 0.728 nan 8.360 nan 0.000 0.466 925 N N 1.161 119.439 118.700 -0.702 0.000 2.058 925 N HA -0.157 4.571 4.740 -0.019 0.000 0.191 925 N C 1.937 177.194 175.510 -0.421 0.000 1.037 925 N CA 2.027 54.813 53.050 -0.440 0.000 0.848 925 N CB -0.337 37.875 38.487 -0.459 0.000 1.021 925 N HN 0.385 nan 8.380 nan 0.000 0.422 926 W N -0.494 120.517 121.300 -0.482 0.000 2.402 926 W HA -0.083 4.566 4.660 -0.019 0.000 0.286 926 W C 1.733 178.050 176.519 -0.337 0.000 1.221 926 W CA 0.282 57.377 57.345 -0.417 0.000 1.257 926 W CB -0.837 28.346 29.460 -0.461 0.000 1.120 926 W HN 0.152 nan 8.180 nan 0.000 0.551 927 M N 3.392 122.627 119.600 -0.608 0.000 2.159 927 M HA -0.193 4.275 4.480 -0.019 0.000 0.263 927 M C 2.517 178.596 176.300 -0.368 0.000 1.063 927 M CA 2.787 57.773 55.300 -0.523 0.000 1.110 927 M CB -0.745 31.285 32.600 -0.950 0.000 1.374 927 M HN 0.088 nan 8.290 nan 0.000 0.411 928 S N -0.674 114.792 115.700 -0.389 0.000 2.383 928 S HA -0.141 4.317 4.470 -0.019 0.000 0.227 928 S C 1.733 176.253 174.600 -0.133 0.000 1.026 928 S CA 1.419 59.469 58.200 -0.250 0.000 0.981 928 S CB -0.844 62.227 63.200 -0.216 0.000 0.818 928 S HN 0.705 nan 8.310 nan 0.000 0.472 929 E N 0.924 121.061 120.200 -0.106 0.000 2.152 929 E HA -0.013 4.325 4.350 -0.019 0.000 0.192 929 E C 2.143 178.671 176.600 -0.120 0.000 0.983 929 E CA 0.948 57.322 56.400 -0.043 0.000 0.818 929 E CB -0.371 29.361 29.700 0.054 0.000 0.758 929 E HN 0.378 nan 8.360 nan 0.000 0.467 930 V N 1.748 121.491 119.914 -0.286 0.000 2.287 930 V HA -0.317 3.791 4.120 -0.019 0.000 0.248 930 V C 2.381 178.273 176.094 -0.337 0.000 1.053 930 V CA 2.084 63.980 62.300 -0.674 0.000 1.027 930 V CB -0.692 30.685 31.823 -0.744 0.000 0.646 930 V HN 0.334 nan 8.190 nan 0.000 0.447 931 A N -0.722 121.982 122.820 -0.193 0.000 1.930 931 A HA -0.121 4.188 4.320 -0.019 0.000 0.217 931 A C 2.364 179.939 177.584 -0.014 0.000 1.175 931 A CA 1.806 53.794 52.037 -0.082 0.000 0.627 931 A CB -0.540 18.422 19.000 -0.064 0.000 0.815 931 A HN 0.336 nan 8.150 nan 0.000 0.443 932 V N -0.295 119.613 119.914 -0.009 0.000 2.358 932 V HA -0.198 3.911 4.120 -0.019 0.000 0.246 932 V C 2.737 178.874 176.094 0.072 0.000 1.047 932 V CA 2.426 64.751 62.300 0.041 0.000 1.035 932 V CB -1.072 30.780 31.823 0.048 0.000 0.658 932 V HN 0.600 nan 8.190 nan 0.000 0.452 933 T N -1.259 113.346 114.554 0.085 0.000 2.746 933 T HA -0.207 4.131 4.350 -0.019 0.000 0.267 933 T C 1.781 176.593 174.700 0.186 0.000 1.039 933 T CA 1.901 64.107 62.100 0.176 0.000 1.142 933 T CB -0.434 68.632 68.868 0.330 0.000 0.866 933 T HN 0.533 nan 8.240 nan 0.000 0.444 934 C N 0.952 120.353 119.300 0.168 0.000 2.500 934 C HA 0.409 4.858 4.460 -0.019 0.000 0.273 934 C C 2.072 177.121 174.990 0.099 0.000 1.428 934 C CA -0.377 58.734 59.018 0.155 0.000 1.766 934 C CB -1.468 26.358 27.740 0.143 0.000 1.817 934 C HN 0.808 nan 8.230 nan 0.000 0.543 935 G N 1.141 109.990 108.800 0.083 0.000 2.323 935 G HA2 -0.251 3.697 3.960 -0.019 0.000 0.292 935 G HA3 -0.251 3.697 3.960 -0.019 0.000 0.292 935 G C -0.243 174.696 174.900 0.064 0.000 1.040 935 G CA 0.159 45.300 45.100 0.069 0.000 0.942 935 G HN 0.561 nan 8.290 nan 0.000 0.506 936 L N -0.426 120.835 121.223 0.062 0.000 2.319 936 L HA 0.559 4.888 4.340 -0.019 0.000 0.267 936 L C -1.924 174.990 176.870 0.073 0.000 1.011 936 L CA -2.683 52.197 54.840 0.067 0.000 0.818 936 L CB 1.974 44.073 42.059 0.066 0.000 1.316 936 L HN -0.112 nan 8.230 nan 0.000 0.432 937 P HA 0.075 nan 4.420 nan 0.000 0.271 937 P C 0.055 177.428 177.300 0.121 0.000 1.216 937 P CA -0.162 63.012 63.100 0.123 0.000 0.771 937 P CB 1.010 32.810 31.700 0.166 0.000 0.864 938 A N 3.653 126.541 122.820 0.113 0.000 1.940 938 A HA -0.234 4.075 4.320 -0.019 0.000 0.219 938 A C 1.747 179.412 177.584 0.134 0.000 1.176 938 A CA 1.696 53.780 52.037 0.079 0.000 0.631 938 A CB -0.986 18.046 19.000 0.053 0.000 0.814 938 A HN 0.568 nan 8.150 nan 0.000 0.446 939 E N 0.136 120.457 120.200 0.202 0.000 2.118 939 E HA -0.191 4.147 4.350 -0.019 0.000 0.195 939 E C 1.831 178.653 176.600 0.370 0.000 0.992 939 E CA 1.370 57.967 56.400 0.329 0.000 0.804 939 E CB -0.323 29.483 29.700 0.177 0.000 0.741 939 E HN 0.812 nan 8.360 nan 0.000 0.458 940 E N 0.462 120.817 120.200 0.259 0.000 2.107 940 E HA -0.121 4.218 4.350 -0.019 0.000 0.191 940 E C 1.893 178.606 176.600 0.187 0.000 0.982 940 E CA 0.935 57.480 56.400 0.243 0.000 0.809 940 E CB 0.219 30.027 29.700 0.180 0.000 0.756 940 E HN 0.138 nan 8.360 nan 0.000 0.459 941 V N 0.959 120.932 119.914 0.098 0.000 2.358 941 V HA -0.221 3.888 4.120 -0.019 0.000 0.246 941 V C 2.349 178.394 176.094 -0.082 0.000 1.047 941 V CA 1.767 64.064 62.300 -0.005 0.000 1.035 941 V CB -0.465 31.323 31.823 -0.058 0.000 0.658 941 V HN 0.205 nan 8.190 nan 0.000 0.452 942 R N -0.776 119.691 120.500 -0.056 0.000 2.070 942 R HA -0.208 4.120 4.340 -0.019 0.000 0.232 942 R C 2.279 178.529 176.300 -0.084 0.000 1.138 942 R CA 2.175 58.205 56.100 -0.117 0.000 0.936 942 R CB -0.548 29.765 30.300 0.023 0.000 0.839 942 R HN 0.702 nan 8.270 nan 0.000 0.429 943 W N 2.355 123.501 121.300 -0.257 0.000 2.317 943 W HA -0.266 4.383 4.660 -0.018 0.000 0.318 943 W C 1.375 177.802 176.519 -0.154 0.000 1.227 943 W CA 1.573 58.730 57.345 -0.314 0.000 1.269 943 W CB -0.244 29.134 29.460 -0.137 0.000 1.155 943 W HN 0.067 nan 8.180 nan 0.000 0.484 944 K N -0.227 120.148 120.400 -0.041 0.000 2.127 944 K HA -0.225 4.083 4.320 -0.019 0.000 0.208 944 K C 1.473 177.952 176.600 -0.201 0.000 1.047 944 K CA 1.735 57.953 56.287 -0.116 0.000 0.927 944 K CB -0.368 32.129 32.500 -0.006 0.000 0.716 944 K HN 0.167 nan 8.250 nan 0.000 0.450 945 N N 0.077 118.668 118.700 -0.182 0.000 2.280 945 N HA 0.028 4.757 4.740 -0.019 0.000 0.192 945 N C 0.156 175.601 175.510 -0.109 0.000 1.109 945 N CA 0.030 52.987 53.050 -0.155 0.000 0.855 945 N CB 0.336 38.697 38.487 -0.210 0.000 0.974 945 N HN 0.194 nan 8.380 nan 0.000 0.482 946 M N 1.017 120.506 119.600 -0.185 0.000 2.228 946 M HA 0.050 4.518 4.480 -0.019 0.000 0.351 946 M C -0.323 175.812 176.300 -0.275 0.000 1.233 946 M CA -0.236 54.939 55.300 -0.209 0.000 1.129 946 M CB 0.499 32.870 32.600 -0.381 0.000 1.604 946 M HN 0.033 nan 8.290 nan 0.000 0.457 947 Y N 4.075 124.197 120.300 -0.297 0.000 2.812 947 Y HA -0.075 4.464 4.550 -0.019 0.000 0.348 947 Y C 0.579 176.183 175.900 -0.493 0.000 1.274 947 Y CA 0.396 58.178 58.100 -0.530 0.000 1.489 947 Y CB 0.399 38.233 38.460 -1.043 0.000 1.348 947 Y HN 0.460 nan 8.280 nan 0.000 0.646 948 K N 1.104 121.349 120.400 -0.259 0.000 2.295 948 K HA 0.208 4.517 4.320 -0.019 0.000 0.239 948 K C -0.897 175.561 176.600 -0.237 0.000 0.991 948 K CA -1.289 54.889 56.287 -0.182 0.000 0.845 948 K CB 1.552 33.972 32.500 -0.134 0.000 1.197 948 K HN 0.529 nan 8.250 nan 0.000 0.441 949 E N 0.208 120.369 120.200 -0.065 0.000 2.585 949 E HA 0.043 4.381 4.350 -0.019 0.000 0.252 949 E C 0.779 177.320 176.600 -0.098 0.000 0.981 949 E CA 1.698 58.075 56.400 -0.038 0.000 0.943 949 E CB -0.363 29.351 29.700 0.023 0.000 0.923 949 E HN 0.746 nan 8.360 nan 0.000 0.486 950 G N 3.856 112.579 108.800 -0.128 0.000 2.199 950 G HA2 -0.265 3.684 3.960 -0.019 0.000 0.254 950 G HA3 -0.265 3.684 3.960 -0.019 0.000 0.254 950 G C -0.033 174.768 174.900 -0.165 0.000 0.982 950 G CA 0.028 45.057 45.100 -0.117 0.000 0.632 950 G HN 0.652 nan 8.290 nan 0.000 0.529 951 D N 0.526 120.785 120.400 -0.234 0.000 2.419 951 D HA 0.381 5.010 4.640 -0.019 0.000 0.236 951 D C 1.319 177.433 176.300 -0.310 0.000 1.165 951 D CA 0.195 54.056 54.000 -0.233 0.000 0.882 951 D CB 0.503 41.179 40.800 -0.207 0.000 1.201 951 D HN 0.361 nan 8.370 nan 0.000 0.443 952 L N 1.208 122.292 121.223 -0.232 0.000 2.357 952 L HA 0.259 4.588 4.340 -0.019 0.000 0.273 952 L C 1.406 178.081 176.870 -0.325 0.000 1.080 952 L CA -0.730 53.942 54.840 -0.280 0.000 0.803 952 L CB 1.044 42.998 42.059 -0.175 0.000 1.174 952 L HN 0.438 nan 8.230 nan 0.000 0.443 953 T N -2.924 111.312 114.554 -0.531 0.000 2.732 953 T HA 0.027 4.365 4.350 -0.019 0.000 0.287 953 T C 1.419 175.989 174.700 -0.217 0.000 0.993 953 T CA -0.239 61.578 62.100 -0.472 0.000 0.966 953 T CB 0.410 68.613 68.868 -1.108 0.000 1.047 953 T HN 0.743 nan 8.240 nan 0.000 0.527 954 H N 0.248 119.266 119.070 -0.087 0.000 2.456 954 H HA -0.054 4.491 4.556 -0.019 0.000 0.296 954 H C 1.263 176.669 175.328 0.129 0.000 1.079 954 H CA 1.274 57.363 56.048 0.068 0.000 1.322 954 H CB -0.853 29.015 29.762 0.177 0.000 1.388 954 H HN 0.783 nan 8.280 nan 0.000 0.538 955 F N 0.245 120.005 119.950 -0.317 0.000 2.660 955 F HA 0.409 4.924 4.527 -0.020 0.000 0.297 955 F C 0.068 175.861 175.800 -0.011 0.000 1.132 955 F CA -0.854 57.048 58.000 -0.163 0.000 1.372 955 F CB -0.125 38.636 39.000 -0.398 0.000 1.003 955 F HN -0.152 nan 8.300 nan 0.000 0.524 956 N N 1.247 119.797 118.700 -0.250 0.000 2.741 956 N HA -0.265 4.464 4.740 -0.019 0.000 0.250 956 N C -0.156 175.236 175.510 -0.197 0.000 1.115 956 N CA 0.989 53.942 53.050 -0.160 0.000 0.724 956 N CB -1.139 37.339 38.487 -0.015 0.000 1.090 956 N HN 0.748 nan 8.380 nan 0.000 0.558 957 Q N 0.463 120.009 119.800 -0.425 0.000 2.243 957 Q HA 0.292 4.620 4.340 -0.019 0.000 0.252 957 Q C 0.210 176.057 176.000 -0.254 0.000 0.909 957 Q CA -0.573 55.087 55.803 -0.238 0.000 0.922 957 Q CB 0.985 29.665 28.738 -0.096 0.000 1.215 957 Q HN 0.191 nan 8.270 nan 0.000 0.427 958 R N 4.015 124.440 120.500 -0.124 0.000 2.401 958 R HA 0.135 4.463 4.340 -0.019 0.000 0.299 958 R C -0.833 175.410 176.300 -0.096 0.000 1.064 958 R CA -0.118 55.904 56.100 -0.130 0.000 1.000 958 R CB 0.233 30.493 30.300 -0.066 0.000 0.973 958 R HN 0.627 nan 8.270 nan 0.000 0.438 959 L N 5.509 126.594 121.223 -0.231 0.000 2.334 959 L HA 0.205 4.534 4.340 -0.019 0.000 0.286 959 L C 0.057 176.922 176.870 -0.007 0.000 1.108 959 L CA 0.179 54.921 54.840 -0.163 0.000 0.875 959 L CB 0.567 42.316 42.059 -0.518 0.000 1.246 959 L HN 0.536 nan 8.230 nan 0.000 0.439 960 E N 2.355 122.620 120.200 0.108 0.000 2.197 960 E HA 0.369 4.708 4.350 -0.019 0.000 0.281 960 E C 0.715 177.414 176.600 0.165 0.000 0.995 960 E CA -0.260 56.200 56.400 0.099 0.000 0.808 960 E CB 1.648 31.391 29.700 0.072 0.000 1.093 960 E HN 0.724 nan 8.360 nan 0.000 0.394 961 G N 3.348 112.222 108.800 0.122 0.000 2.272 961 G HA2 -0.307 3.641 3.960 -0.019 0.000 0.280 961 G HA3 -0.307 3.641 3.960 -0.019 0.000 0.280 961 G C -0.275 174.718 174.900 0.155 0.000 1.067 961 G CA -0.156 45.020 45.100 0.126 0.000 0.902 961 G HN 0.508 nan 8.290 nan 0.000 0.500 962 F N 2.361 122.255 119.950 -0.093 0.000 2.490 962 F HA 0.446 4.961 4.527 -0.020 0.000 0.357 962 F C 1.447 176.978 175.800 -0.449 0.000 1.166 962 F CA -0.098 57.673 58.000 -0.382 0.000 1.116 962 F CB 0.592 39.402 39.000 -0.317 0.000 1.171 962 F HN 0.274 nan 8.300 nan 0.000 0.576 963 S N 2.688 117.754 115.700 -1.057 0.000 2.540 963 S HA 0.027 4.485 4.470 -0.019 0.000 0.218 963 S C 1.597 175.844 174.600 -0.588 0.000 0.977 963 S CA 0.317 58.197 58.200 -0.534 0.000 0.918 963 S CB -0.363 62.734 63.200 -0.172 0.000 0.806 963 S HN 0.400 nan 8.310 nan 0.000 0.496 964 V N 2.940 122.175 119.914 -1.131 0.000 2.324 964 V HA -0.115 3.994 4.120 -0.019 0.000 0.250 964 V C -0.322 175.653 176.094 -0.198 0.000 1.060 964 V CA 2.061 63.990 62.300 -0.618 0.000 1.042 964 V CB -1.932 29.444 31.823 -0.745 0.000 0.650 964 V HN 0.368 nan 8.190 nan 0.000 0.450 965 P HA -0.193 nan 4.420 nan 0.000 0.215 965 P C 1.849 179.287 177.300 0.231 0.000 1.163 965 P CA 1.686 64.886 63.100 0.167 0.000 0.894 965 P CB -0.141 31.629 31.700 0.117 0.000 0.791 966 R N -1.154 119.395 120.500 0.083 0.000 2.083 966 R HA -0.138 4.190 4.340 -0.019 0.000 0.237 966 R C 2.338 178.690 176.300 0.086 0.000 1.137 966 R CA 1.799 57.945 56.100 0.076 0.000 0.951 966 R CB -1.284 29.028 30.300 0.021 0.000 0.851 966 R HN 0.257 nan 8.270 nan 0.000 0.434 967 C N -0.548 118.795 119.300 0.072 0.000 2.413 967 C HA -0.149 4.300 4.460 -0.019 0.000 0.277 967 C C 2.392 177.466 174.990 0.139 0.000 1.265 967 C CA 0.137 59.208 59.018 0.088 0.000 1.752 967 C CB -1.114 26.679 27.740 0.088 0.000 1.998 967 C HN 0.664 nan 8.230 nan 0.000 0.489 968 W N 1.778 123.078 121.300 -0.000 0.000 2.378 968 W HA -0.130 4.519 4.660 -0.019 0.000 0.313 968 W C 2.158 178.655 176.519 -0.038 0.000 1.197 968 W CA 2.105 59.454 57.345 0.007 0.000 1.304 968 W CB -0.785 28.745 29.460 0.117 0.000 1.148 968 W HN 0.370 nan 8.180 nan 0.000 0.494 969 D N 0.147 120.663 120.400 0.195 0.000 2.092 969 D HA -0.244 4.384 4.640 -0.019 0.000 0.193 969 D C 2.014 178.292 176.300 -0.037 0.000 0.994 969 D CA 2.277 56.298 54.000 0.034 0.000 0.828 969 D CB -0.305 40.541 40.800 0.075 0.000 0.963 969 D HN 0.263 nan 8.370 nan 0.000 0.450 970 E N -0.568 119.628 120.200 -0.007 0.000 2.106 970 E HA -0.136 4.203 4.350 -0.019 0.000 0.192 970 E C 2.299 178.859 176.600 -0.067 0.000 0.984 970 E CA 0.616 57.001 56.400 -0.025 0.000 0.806 970 E CB -0.234 29.464 29.700 -0.004 0.000 0.750 970 E HN 0.358 nan 8.360 nan 0.000 0.458 971 C N 0.898 120.137 119.300 -0.102 0.000 2.453 971 C HA -0.071 4.377 4.460 -0.019 0.000 0.277 971 C C 2.599 177.454 174.990 -0.225 0.000 1.262 971 C CA 0.441 59.366 59.018 -0.155 0.000 1.718 971 C CB -1.011 26.621 27.740 -0.179 0.000 2.031 971 C HN 0.378 nan 8.230 nan 0.000 0.480 972 L N 0.590 121.602 121.223 -0.350 0.000 2.043 972 L HA -0.230 4.099 4.340 -0.019 0.000 0.212 972 L C 2.747 179.531 176.870 -0.143 0.000 1.075 972 L CA 1.956 56.581 54.840 -0.359 0.000 0.752 972 L CB -0.581 41.212 42.059 -0.443 0.000 0.891 972 L HN 0.411 nan 8.230 nan 0.000 0.432 973 K N -0.559 119.787 120.400 -0.089 0.000 2.044 973 K HA -0.099 4.209 4.320 -0.019 0.000 0.204 973 K C 2.362 178.945 176.600 -0.027 0.000 1.049 973 K CA 1.567 57.839 56.287 -0.026 0.000 0.945 973 K CB -0.120 32.371 32.500 -0.015 0.000 0.724 973 K HN 0.349 nan 8.250 nan 0.000 0.440 974 S N 0.591 116.264 115.700 -0.044 0.000 2.414 974 S HA -0.087 4.371 4.470 -0.019 0.000 0.227 974 S C 1.977 176.555 174.600 -0.037 0.000 1.022 974 S CA 1.187 59.367 58.200 -0.035 0.000 0.958 974 S CB -0.160 63.018 63.200 -0.037 0.000 0.797 974 S HN 0.242 nan 8.310 nan 0.000 0.493 975 S N 1.031 116.700 115.700 -0.052 0.000 2.603 975 S HA 0.068 4.526 4.470 -0.019 0.000 0.220 975 S C 0.635 175.216 174.600 -0.032 0.000 0.967 975 S CA 0.163 58.337 58.200 -0.044 0.000 0.920 975 S CB -0.902 62.264 63.200 -0.056 0.000 0.773 975 S HN 0.615 nan 8.310 nan 0.000 0.529 976 Q N -0.497 119.289 119.800 -0.022 0.000 2.435 976 Q HA -0.306 4.023 4.340 -0.019 0.000 0.312 976 Q C 0.267 176.251 176.000 -0.027 0.000 1.333 976 Q CA 0.796 56.595 55.803 -0.006 0.000 0.883 976 Q CB -2.478 26.254 28.738 -0.010 0.000 1.170 976 Q HN 0.809 nan 8.270 nan 0.000 0.443 977 Y N -0.116 120.060 120.300 -0.208 0.000 2.040 977 Y HA -0.369 4.176 4.550 -0.008 0.000 0.275 977 Y C 1.724 177.462 175.900 -0.271 0.000 1.171 977 Y CA 2.628 60.536 58.100 -0.320 0.000 1.123 977 Y CB -0.431 37.691 38.460 -0.563 0.000 0.963 977 Y HN 0.385 nan 8.280 nan 0.000 0.493 978 Y N -0.562 119.731 120.300 -0.011 0.000 2.224 978 Y HA -0.191 4.344 4.550 -0.026 0.000 0.289 978 Y C 2.642 178.467 175.900 -0.125 0.000 1.146 978 Y CA 0.943 58.993 58.100 -0.082 0.000 1.182 978 Y CB -0.779 37.697 38.460 0.027 0.000 0.983 978 Y HN 0.256 nan 8.280 nan 0.000 0.524 979 A N 0.164 123.013 122.820 0.049 0.000 1.968 979 A HA -0.125 4.183 4.320 -0.019 0.000 0.217 979 A C 2.200 179.748 177.584 -0.060 0.000 1.169 979 A CA 1.135 53.172 52.037 0.001 0.000 0.638 979 A CB -0.368 18.637 19.000 0.008 0.000 0.812 979 A HN 0.344 nan 8.150 nan 0.000 0.446 980 R N -0.670 119.756 120.500 -0.125 0.000 2.119 980 R HA -0.036 4.292 4.340 -0.019 0.000 0.222 980 R C 2.191 178.370 176.300 -0.203 0.000 1.088 980 R CA 1.236 57.245 56.100 -0.153 0.000 0.984 980 R CB -0.184 30.017 30.300 -0.164 0.000 0.884 980 R HN 0.578 nan 8.270 nan 0.000 0.447 981 K N 0.497 120.705 120.400 -0.320 0.000 2.063 981 K HA -0.115 4.193 4.320 -0.019 0.000 0.208 981 K C 1.990 178.514 176.600 -0.126 0.000 1.048 981 K CA 1.813 57.921 56.287 -0.299 0.000 0.928 981 K CB 0.035 32.292 32.500 -0.405 0.000 0.713 981 K HN -0.037 nan 8.250 nan 0.000 0.442 982 S N 0.905 116.558 115.700 -0.078 0.000 2.368 982 S HA -0.118 4.340 4.470 -0.019 0.000 0.225 982 S C 1.598 176.187 174.600 -0.018 0.000 1.030 982 S CA 1.249 59.431 58.200 -0.030 0.000 0.999 982 S CB -0.234 62.959 63.200 -0.013 0.000 0.844 982 S HN 0.345 nan 8.310 nan 0.000 0.459 983 E N 0.771 120.956 120.200 -0.026 0.000 2.150 983 E HA -0.025 4.313 4.350 -0.019 0.000 0.193 983 E C 2.207 178.828 176.600 0.034 0.000 0.985 983 E CA 0.515 56.917 56.400 0.004 0.000 0.814 983 E CB -0.452 29.242 29.700 -0.010 0.000 0.752 983 E HN 0.329 nan 8.360 nan 0.000 0.466 984 V N 1.954 121.861 119.914 -0.011 0.000 2.379 984 V HA -0.208 3.901 4.120 -0.019 0.000 0.245 984 V C 1.697 177.830 176.094 0.066 0.000 1.044 984 V CA 1.779 64.083 62.300 0.008 0.000 1.036 984 V CB -0.360 31.426 31.823 -0.061 0.000 0.664 984 V HN 0.107 nan 8.190 nan 0.000 0.453 985 D N -0.036 120.380 120.400 0.026 0.000 2.117 985 D HA -0.180 4.448 4.640 -0.019 0.000 0.197 985 D C 2.142 178.465 176.300 0.038 0.000 0.987 985 D CA 1.305 55.322 54.000 0.027 0.000 0.829 985 D CB -0.237 40.567 40.800 0.006 0.000 0.961 985 D HN 0.370 nan 8.370 nan 0.000 0.460 986 K N -0.212 120.213 120.400 0.043 0.000 2.097 986 K HA -0.154 4.155 4.320 -0.019 0.000 0.206 986 K C 2.158 178.788 176.600 0.052 0.000 1.049 986 K CA 0.670 56.978 56.287 0.034 0.000 0.933 986 K CB -0.291 32.228 32.500 0.032 0.000 0.717 986 K HN 0.075 nan 8.250 nan 0.000 0.442 987 F N 2.230 122.162 119.950 -0.030 0.000 2.134 987 F HA -0.208 4.300 4.527 -0.033 0.000 0.299 987 F C 1.759 177.540 175.800 -0.031 0.000 1.097 987 F CA 1.621 59.606 58.000 -0.026 0.000 1.264 987 F CB -0.160 38.827 39.000 -0.022 0.000 1.001 987 F HN 0.135 nan 8.300 nan 0.000 0.479 988 N N 0.548 119.342 118.700 0.158 0.000 2.331 988 N HA -0.117 4.612 4.740 -0.019 0.000 0.180 988 N C 1.627 177.094 175.510 -0.071 0.000 1.019 988 N CA 1.068 54.153 53.050 0.057 0.000 0.881 988 N CB -0.310 38.225 38.487 0.080 0.000 0.972 988 N HN 0.381 nan 8.380 nan 0.000 0.435 989 K N 0.796 121.156 120.400 -0.066 0.000 2.155 989 K HA -0.015 4.293 4.320 -0.019 0.000 0.203 989 K C 1.311 177.833 176.600 -0.130 0.000 1.052 989 K CA 0.882 57.116 56.287 -0.088 0.000 0.948 989 K CB 0.092 32.559 32.500 -0.056 0.000 0.728 989 K HN 0.314 nan 8.250 nan 0.000 0.448 990 E N 0.065 120.159 120.200 -0.177 0.000 2.447 990 E HA 0.052 4.390 4.350 -0.019 0.000 0.195 990 E C -0.088 176.346 176.600 -0.277 0.000 1.028 990 E CA 0.096 56.369 56.400 -0.211 0.000 0.876 990 E CB 0.334 29.906 29.700 -0.213 0.000 0.885 990 E HN 0.220 nan 8.360 nan 0.000 0.500 991 N N -0.331 118.159 118.700 -0.351 0.000 2.284 991 N HA 0.142 4.870 4.740 -0.019 0.000 0.300 991 N C -0.424 174.945 175.510 -0.234 0.000 1.047 991 N CA -0.332 52.518 53.050 -0.332 0.000 0.821 991 N CB 2.027 40.176 38.487 -0.563 0.000 1.337 991 N HN -0.034 nan 8.380 nan 0.000 0.482 992 C N 0.373 119.545 119.300 -0.213 0.000 2.524 992 C HA 0.142 4.590 4.460 -0.019 0.000 0.284 992 C C 1.384 176.138 174.990 -0.394 0.000 1.346 992 C CA -0.017 58.759 59.018 -0.404 0.000 1.739 992 C CB -0.474 26.943 27.740 -0.538 0.000 2.119 992 C HN 0.819 nan 8.230 nan 0.000 0.501 993 W N 1.044 122.404 121.300 0.100 0.000 3.005 993 W HA 0.342 5.002 4.660 0.000 0.000 0.374 993 W C 0.454 177.033 176.519 0.100 0.000 1.076 993 W CA -0.188 57.232 57.345 0.125 0.000 1.794 993 W CB 0.303 29.818 29.460 0.093 0.000 1.113 993 W HN 0.038 nan 8.180 nan 0.000 0.584 994 K N 1.047 121.597 120.400 0.251 0.000 2.502 994 K HA 0.457 4.765 4.320 -0.019 0.000 0.257 994 K C -0.435 176.353 176.600 0.313 0.000 0.938 994 K CA -0.940 55.511 56.287 0.274 0.000 0.819 994 K CB 2.413 35.114 32.500 0.335 0.000 1.333 994 K HN -0.426 nan 8.250 nan 0.000 0.434 995 K N 2.051 122.630 120.400 0.299 0.000 2.502 995 K HA 0.456 4.765 4.320 -0.019 0.000 0.257 995 K C -0.853 175.825 176.600 0.131 0.000 0.938 995 K CA -0.821 55.631 56.287 0.275 0.000 0.819 995 K CB 2.494 35.070 32.500 0.127 0.000 1.333 995 K HN 0.522 nan 8.250 nan 0.000 0.434 996 R N -0.126 120.416 120.500 0.070 0.000 2.668 996 R HA 0.712 5.041 4.340 -0.019 0.000 0.279 996 R C 0.041 176.316 176.300 -0.041 0.000 0.976 996 R CA -0.803 55.227 56.100 -0.117 0.000 0.978 996 R CB 1.845 31.948 30.300 -0.330 0.000 1.133 996 R HN 0.774 nan 8.270 nan 0.000 0.484 997 G N 1.110 109.874 108.800 -0.060 0.000 2.612 997 G HA2 0.605 4.553 3.960 -0.019 0.000 0.298 997 G HA3 0.605 4.553 3.960 -0.019 0.000 0.298 997 G C -2.065 172.812 174.900 -0.037 0.000 1.336 997 G CA -0.422 44.660 45.100 -0.030 0.000 0.953 997 G HN 0.360 nan 8.290 nan 0.000 0.482 998 L N 0.616 121.831 121.223 -0.013 0.000 2.493 998 L HA 0.792 5.120 4.340 -0.019 0.000 0.265 998 L C -1.084 175.837 176.870 0.086 0.000 0.954 998 L CA -0.553 54.285 54.840 -0.004 0.000 0.844 998 L CB 1.755 43.753 42.059 -0.102 0.000 1.302 998 L HN 0.792 nan 8.230 nan 0.000 0.405 999 C N 5.456 124.832 119.300 0.127 0.000 2.888 999 C HA 0.715 5.164 4.460 -0.019 0.000 0.308 999 C C -0.998 174.057 174.990 0.109 0.000 1.213 999 C CA -0.784 58.329 59.018 0.158 0.000 1.461 999 C CB 1.181 29.018 27.740 0.160 0.000 1.934 999 C HN 0.908 nan 8.230 nan 0.000 0.474 1000 I N 6.127 126.703 120.570 0.009 0.000 2.465 1000 I HA 0.702 4.861 4.170 -0.019 0.000 0.291 1000 I C -1.323 174.803 176.117 0.015 0.000 1.014 1000 I CA -0.568 60.633 61.300 -0.164 0.000 1.093 1000 I CB 1.073 38.672 38.000 -0.668 0.000 1.267 1000 I HN 0.531 nan 8.210 nan 0.000 0.431 1001 I N 8.542 129.176 120.570 0.107 0.000 2.656 1001 I HA 0.490 4.648 4.170 -0.019 0.000 0.292 1001 I C -2.655 173.668 176.117 0.343 0.000 1.144 1001 I CA -1.761 59.690 61.300 0.252 0.000 1.038 1001 I CB 2.311 40.383 38.000 0.120 0.000 1.244 1001 I HN 0.358 nan 8.210 nan 0.000 0.420 1002 P HA 0.474 nan 4.420 nan 0.000 0.285 1002 P C -0.771 176.703 177.300 0.290 0.000 1.285 1002 P CA -0.421 62.873 63.100 0.323 0.000 0.854 1002 P CB 2.622 34.440 31.700 0.195 0.000 1.180 1003 T N -1.023 113.698 114.554 0.278 0.000 2.894 1003 T HA 0.534 4.873 4.350 -0.019 0.000 0.309 1003 T C -1.491 173.389 174.700 0.299 0.000 1.208 1003 T CA -0.706 61.574 62.100 0.299 0.000 1.016 1003 T CB 1.054 70.192 68.868 0.450 0.000 1.192 1003 T HN 0.633 nan 8.240 nan 0.000 0.491 1004 K N 2.263 122.836 120.400 0.289 0.000 2.375 1004 K HA 0.774 5.082 4.320 -0.019 0.000 0.249 1004 K C -1.921 174.887 176.600 0.347 0.000 0.942 1004 K CA -0.853 55.617 56.287 0.305 0.000 0.806 1004 K CB 1.992 34.701 32.500 0.349 0.000 1.227 1004 K HN 0.447 nan 8.250 nan 0.000 0.430 1005 F N 1.374 121.392 119.950 0.114 0.000 2.617 1005 F HA 0.418 4.933 4.527 -0.020 0.000 0.325 1005 F C -0.245 175.501 175.800 -0.091 0.000 1.179 1005 F CA -0.305 57.749 58.000 0.090 0.000 0.965 1005 F CB 1.959 40.921 39.000 -0.063 0.000 1.232 1005 F HN 0.818 nan 8.300 nan 0.000 0.461 1006 G N 6.433 114.844 108.800 -0.649 0.000 2.365 1006 G HA2 0.400 4.348 3.960 -0.019 0.000 0.249 1006 G HA3 0.400 4.348 3.960 -0.019 0.000 0.249 1006 G C -0.638 173.508 174.900 -1.257 0.000 1.288 1006 G CA -0.421 43.613 45.100 -1.777 0.000 0.887 1006 G HN 0.485 nan 8.290 nan 0.000 0.524 1007 I N 1.795 121.811 120.570 -0.923 0.000 2.306 1007 I HA 0.497 4.656 4.170 -0.019 0.000 0.288 1007 I C 0.299 176.224 176.117 -0.319 0.000 1.036 1007 I CA -0.215 60.732 61.300 -0.588 0.000 1.221 1007 I CB -0.200 37.242 38.000 -0.930 0.000 1.385 1007 I HN 0.409 nan 8.210 nan 0.000 0.472 1008 S N 4.422 120.021 115.700 -0.168 0.000 2.732 1008 S HA 0.282 4.740 4.470 -0.019 0.000 0.276 1008 S C -0.862 173.653 174.600 -0.141 0.000 0.917 1008 S CA -0.889 57.238 58.200 -0.122 0.000 0.985 1008 S CB 0.322 63.485 63.200 -0.062 0.000 1.244 1008 S HN 0.275 nan 8.310 nan 0.000 0.458 1009 F N 2.041 121.919 119.950 -0.121 0.000 2.443 1009 F HA 0.250 4.766 4.527 -0.019 0.000 0.353 1009 F C 2.192 177.899 175.800 -0.155 0.000 1.101 1009 F CA 0.419 58.330 58.000 -0.149 0.000 1.226 1009 F CB 0.966 39.849 39.000 -0.194 0.000 1.140 1009 F HN 0.761 nan 8.300 nan 0.000 0.557 1010 T N -1.339 113.265 114.554 0.083 0.000 3.113 1010 T HA 0.067 4.406 4.350 -0.019 0.000 0.256 1010 T C 0.426 175.156 174.700 0.050 0.000 1.131 1010 T CA 0.089 62.182 62.100 -0.011 0.000 1.074 1010 T CB -0.447 68.505 68.868 0.139 0.000 0.944 1010 T HN 0.182 nan 8.240 nan 0.000 0.516 1011 V N 3.982 123.907 119.914 0.019 0.000 2.372 1011 V HA 0.213 4.321 4.120 -0.019 0.000 0.261 1011 V C -1.280 174.664 176.094 -0.251 0.000 1.055 1011 V CA -1.623 60.585 62.300 -0.152 0.000 0.930 1011 V CB 1.168 32.785 31.823 -0.343 0.000 1.031 1011 V HN 0.177 nan 8.190 nan 0.000 0.479 1012 P HA -0.186 nan 4.420 nan 0.000 0.216 1012 P C 1.563 178.807 177.300 -0.094 0.000 1.153 1012 P CA 1.355 64.406 63.100 -0.082 0.000 0.858 1012 P CB -0.014 31.683 31.700 -0.004 0.000 0.789 1013 F N -1.479 118.448 119.950 -0.039 0.000 2.546 1013 F HA -0.006 4.510 4.527 -0.019 0.000 0.298 1013 F C 1.497 177.220 175.800 -0.128 0.000 1.120 1013 F CA 0.827 58.789 58.000 -0.063 0.000 1.456 1013 F CB -1.704 37.269 39.000 -0.045 0.000 1.088 1013 F HN -0.172 nan 8.300 nan 0.000 0.572 1014 L N 0.584 121.529 121.223 -0.465 0.000 2.492 1014 L HA 0.034 4.363 4.340 -0.019 0.000 0.223 1014 L C 0.638 177.301 176.870 -0.345 0.000 1.132 1014 L CA 0.248 54.748 54.840 -0.566 0.000 0.850 1014 L CB -0.620 40.647 42.059 -1.321 0.000 0.966 1014 L HN 0.136 nan 8.230 nan 0.000 0.454 1015 N N 2.589 121.214 118.700 -0.125 0.000 3.245 1015 N HA 0.067 4.795 4.740 -0.019 0.000 0.296 1015 N C -0.500 174.923 175.510 -0.144 0.000 1.254 1015 N CA 0.146 53.179 53.050 -0.029 0.000 1.190 1015 N CB 0.340 38.806 38.487 -0.034 0.000 1.460 1015 N HN 0.499 nan 8.380 nan 0.000 0.538 1016 Q N -0.825 118.873 119.800 -0.171 0.000 2.340 1016 Q HA 0.797 5.126 4.340 -0.019 0.000 0.276 1016 Q C -1.896 173.893 176.000 -0.352 0.000 1.048 1016 Q CA -1.240 54.368 55.803 -0.325 0.000 0.832 1016 Q CB 2.171 30.831 28.738 -0.130 0.000 1.373 1016 Q HN 0.097 nan 8.270 nan 0.000 0.409 1017 A N 0.999 123.462 122.820 -0.594 0.000 2.520 1017 A HA 0.908 5.216 4.320 -0.019 0.000 0.298 1017 A C -0.733 176.728 177.584 -0.204 0.000 1.051 1017 A CA -0.171 51.662 52.037 -0.341 0.000 0.690 1017 A CB 1.932 20.569 19.000 -0.605 0.000 1.281 1017 A HN 0.907 nan 8.150 nan 0.000 0.402 1018 G N -0.276 108.679 108.800 0.259 0.000 2.473 1018 G HA2 0.867 4.816 3.960 -0.019 0.000 0.321 1018 G HA3 0.867 4.816 3.960 -0.019 0.000 0.321 1018 G C -0.447 174.658 174.900 0.342 0.000 1.200 1018 G CA -0.013 45.308 45.100 0.369 0.000 0.963 1018 G HN 1.823 nan 8.290 nan 0.000 0.483 1019 A N -0.239 122.738 122.820 0.261 0.000 2.527 1019 A HA 0.829 5.138 4.320 -0.019 0.000 0.293 1019 A C -1.802 175.845 177.584 0.106 0.000 1.117 1019 A CA -0.635 51.516 52.037 0.190 0.000 0.723 1019 A CB 2.139 21.250 19.000 0.185 0.000 1.313 1019 A HN 1.502 nan 8.150 nan 0.000 0.411 1020 L N 1.124 122.361 121.223 0.023 0.000 2.438 1020 L HA 0.766 5.095 4.340 -0.019 0.000 0.270 1020 L C -1.589 175.167 176.870 -0.190 0.000 0.972 1020 L CA -0.123 54.677 54.840 -0.067 0.000 0.831 1020 L CB 1.309 43.312 42.059 -0.093 0.000 1.273 1020 L HN 0.616 nan 8.230 nan 0.000 0.405 1021 I N 4.534 124.994 120.570 -0.183 0.000 2.545 1021 I HA 0.449 4.607 4.170 -0.019 0.000 0.292 1021 I C -0.998 174.999 176.117 -0.200 0.000 1.040 1021 I CA -0.794 60.398 61.300 -0.179 0.000 1.068 1021 I CB 1.835 39.822 38.000 -0.022 0.000 1.251 1021 I HN 0.553 nan 8.210 nan 0.000 0.424 1022 H N 4.991 124.030 119.070 -0.052 0.000 2.529 1022 H HA 0.475 5.019 4.556 -0.019 0.000 0.348 1022 H C -0.814 174.387 175.328 -0.210 0.000 1.079 1022 H CA -0.772 55.147 56.048 -0.214 0.000 1.198 1022 H CB 2.399 31.890 29.762 -0.452 0.000 1.521 1022 H HN 0.156 nan 8.280 nan 0.000 0.514 1023 V N 4.722 124.599 119.914 -0.060 0.000 2.370 1023 V HA 0.193 4.302 4.120 -0.019 0.000 0.283 1023 V C -0.218 175.777 176.094 -0.164 0.000 1.023 1023 V CA -0.744 61.559 62.300 0.005 0.000 0.857 1023 V CB 0.006 31.896 31.823 0.113 0.000 0.985 1023 V HN 0.571 nan 8.190 nan 0.000 0.443 1024 Y N 1.966 122.312 120.300 0.075 0.000 2.334 1024 Y HA 0.228 4.766 4.550 -0.019 0.000 0.325 1024 Y C 2.095 177.952 175.900 -0.072 0.000 1.308 1024 Y CA 0.108 58.198 58.100 -0.016 0.000 1.389 1024 Y CB 0.773 39.226 38.460 -0.012 0.000 1.328 1024 Y HN 0.733 nan 8.280 nan 0.000 0.532 1025 T N -3.432 111.131 114.554 0.014 0.000 3.072 1025 T HA -0.139 4.200 4.350 -0.019 0.000 0.266 1025 T C 0.876 175.534 174.700 -0.071 0.000 1.127 1025 T CA 1.055 63.073 62.100 -0.137 0.000 1.107 1025 T CB -0.309 68.346 68.868 -0.354 0.000 0.910 1025 T HN 0.743 nan 8.240 nan 0.000 0.513 1026 D N 1.020 121.421 120.400 0.002 0.000 2.349 1026 D HA 0.169 4.798 4.640 -0.019 0.000 0.224 1026 D C 1.699 178.042 176.300 0.072 0.000 1.029 1026 D CA 0.605 54.613 54.000 0.014 0.000 0.879 1026 D CB -0.729 40.077 40.800 0.010 0.000 0.906 1026 D HN 0.561 nan 8.370 nan 0.000 0.528 1027 G N 0.512 109.372 108.800 0.099 0.000 2.176 1027 G HA2 -0.308 3.641 3.960 -0.019 0.000 0.253 1027 G HA3 -0.308 3.641 3.960 -0.019 0.000 0.253 1027 G C 0.410 175.587 174.900 0.461 0.000 0.979 1027 G CA 0.533 45.782 45.100 0.248 0.000 0.641 1027 G HN 0.853 nan 8.290 nan 0.000 0.530 1028 S N -0.624 115.253 115.700 0.296 0.000 2.576 1028 S HA 0.644 5.103 4.470 -0.019 0.000 0.276 1028 S C 0.072 174.886 174.600 0.358 0.000 1.339 1028 S CA 0.016 58.381 58.200 0.275 0.000 1.039 1028 S CB 2.354 65.655 63.200 0.168 0.000 0.902 1028 S HN 1.110 nan 8.310 nan 0.000 0.516 1029 V N 3.238 123.330 119.914 0.295 0.000 2.540 1029 V HA 0.520 4.629 4.120 -0.019 0.000 0.302 1029 V C -0.615 175.638 176.094 0.265 0.000 1.035 1029 V CA -0.828 61.634 62.300 0.271 0.000 0.873 1029 V CB 1.389 33.331 31.823 0.198 0.000 0.992 1029 V HN 0.884 nan 8.190 nan 0.000 0.428 1030 L N 6.216 127.603 121.223 0.273 0.000 2.298 1030 L HA 0.670 4.998 4.340 -0.019 0.000 0.284 1030 L C -0.472 176.438 176.870 0.066 0.000 1.013 1030 L CA 0.040 55.026 54.840 0.243 0.000 0.824 1030 L CB 1.658 43.970 42.059 0.421 0.000 1.221 1030 L HN 0.458 nan 8.230 nan 0.000 0.418 1031 V N 3.931 123.863 119.914 0.030 0.000 2.427 1031 V HA 0.655 4.764 4.120 -0.019 0.000 0.286 1031 V C 0.032 176.085 176.094 -0.068 0.000 1.034 1031 V CA -0.380 61.910 62.300 -0.017 0.000 0.893 1031 V CB 1.556 33.394 31.823 0.026 0.000 0.982 1031 V HN 0.833 nan 8.190 nan 0.000 0.452 1032 S N 4.098 119.751 115.700 -0.078 0.000 2.521 1032 S HA 0.712 5.171 4.470 -0.019 0.000 0.295 1032 S C -0.907 173.664 174.600 -0.048 0.000 1.098 1032 S CA -0.650 57.470 58.200 -0.133 0.000 0.999 1032 S CB 0.822 63.944 63.200 -0.129 0.000 1.034 1032 S HN 1.037 nan 8.310 nan 0.000 0.483 1033 H N 0.964 119.970 119.070 -0.108 0.000 2.977 1033 H HA 0.476 5.020 4.556 -0.019 0.000 0.350 1033 H C 0.899 176.082 175.328 -0.241 0.000 1.238 1033 H CA -0.483 55.503 56.048 -0.104 0.000 1.124 1033 H CB 1.063 30.780 29.762 -0.076 0.000 1.866 1033 H HN 0.683 nan 8.280 nan 0.000 0.550 1034 G N -0.051 108.613 108.800 -0.227 0.000 2.509 1034 G HA2 0.041 3.989 3.960 -0.019 0.000 0.218 1034 G HA3 0.041 3.989 3.960 -0.019 0.000 0.218 1034 G C 0.735 175.303 174.900 -0.552 0.000 1.124 1034 G CA 0.402 45.351 45.100 -0.251 0.000 0.776 1034 G HN 0.811 nan 8.290 nan 0.000 0.547 1035 G N -0.196 107.998 108.800 -1.011 0.000 2.476 1035 G HA2 0.460 4.409 3.960 -0.019 0.000 0.269 1035 G HA3 0.460 4.409 3.960 -0.019 0.000 0.269 1035 G C -0.009 174.761 174.900 -0.215 0.000 1.195 1035 G CA 0.365 45.153 45.100 -0.519 0.000 0.843 1035 G HN 0.389 nan 8.290 nan 0.000 0.545 1036 T N -1.456 113.026 114.554 -0.121 0.000 2.885 1036 T HA 0.559 4.898 4.350 -0.019 0.000 0.285 1036 T C -0.480 174.092 174.700 -0.212 0.000 1.019 1036 T CA -0.824 61.200 62.100 -0.125 0.000 1.010 1036 T CB 2.302 71.117 68.868 -0.089 0.000 1.022 1036 T HN 0.463 nan 8.240 nan 0.000 0.466 1037 E N 2.610 122.630 120.200 -0.300 0.000 2.167 1037 E HA 0.426 4.764 4.350 -0.019 0.000 0.284 1037 E C 0.431 176.951 176.600 -0.133 0.000 1.016 1037 E CA -0.655 55.556 56.400 -0.314 0.000 0.817 1037 E CB 0.756 30.219 29.700 -0.395 0.000 1.080 1037 E HN 0.784 nan 8.360 nan 0.000 0.397 1038 M N 2.428 121.960 119.600 -0.114 0.000 2.414 1038 M HA 0.496 4.965 4.480 -0.019 0.000 0.357 1038 M C 0.803 177.042 176.300 -0.101 0.000 1.059 1038 M CA 0.105 55.327 55.300 -0.130 0.000 0.959 1038 M CB 0.892 33.357 32.600 -0.226 0.000 1.522 1038 M HN 0.593 nan 8.290 nan 0.000 0.551 1039 G N 1.666 110.469 108.800 0.005 0.000 2.284 1039 G HA2 -0.247 3.702 3.960 -0.019 0.000 0.201 1039 G HA3 -0.247 3.702 3.960 -0.019 0.000 0.201 1039 G C 0.857 175.830 174.900 0.123 0.000 0.998 1039 G CA 0.299 45.432 45.100 0.054 0.000 0.651 1039 G HN 0.571 nan 8.290 nan 0.000 0.489 1040 Q N 1.838 121.674 119.800 0.060 0.000 2.515 1040 Q HA 0.288 4.616 4.340 -0.019 0.000 0.212 1040 Q C 1.588 177.626 176.000 0.063 0.000 0.970 1040 Q CA 1.470 57.308 55.803 0.058 0.000 0.941 1040 Q CB -0.590 28.154 28.738 0.010 0.000 0.998 1040 Q HN 1.953 nan 8.270 nan 0.000 0.518 1041 G N 2.000 110.844 108.800 0.073 0.000 2.246 1041 G HA2 -0.299 3.649 3.960 -0.019 0.000 0.273 1041 G HA3 -0.299 3.649 3.960 -0.019 0.000 0.273 1041 G C 0.351 175.166 174.900 -0.142 0.000 1.055 1041 G CA 0.444 45.463 45.100 -0.135 0.000 0.851 1041 G HN 0.420 nan 8.290 nan 0.000 0.500 1042 L N 0.040 121.177 121.223 -0.142 0.000 1.989 1042 L HA -0.028 4.301 4.340 -0.019 0.000 0.211 1042 L C 2.621 179.450 176.870 -0.070 0.000 1.071 1042 L CA 2.953 57.722 54.840 -0.118 0.000 0.749 1042 L CB -0.579 41.398 42.059 -0.137 0.000 0.890 1042 L HN 0.442 nan 8.230 nan 0.000 0.431 1043 H N -0.813 118.225 119.070 -0.053 0.000 2.352 1043 H HA -0.109 4.436 4.556 -0.019 0.000 0.299 1043 H C 2.170 177.430 175.328 -0.113 0.000 1.097 1043 H CA 1.835 57.854 56.048 -0.048 0.000 1.311 1043 H CB -1.130 28.582 29.762 -0.082 0.000 1.377 1043 H HN 0.364 nan 8.280 nan 0.000 0.504 1044 T N 1.393 115.897 114.554 -0.083 0.000 2.635 1044 T HA -0.175 4.163 4.350 -0.019 0.000 0.267 1044 T C 2.052 176.720 174.700 -0.053 0.000 1.040 1044 T CA 1.820 63.854 62.100 -0.111 0.000 1.156 1044 T CB -0.090 68.652 68.868 -0.210 0.000 0.863 1044 T HN 0.361 nan 8.240 nan 0.000 0.430 1045 K N 0.263 120.633 120.400 -0.049 0.000 2.063 1045 K HA -0.027 4.281 4.320 -0.019 0.000 0.208 1045 K C 2.397 178.993 176.600 -0.007 0.000 1.048 1045 K CA 1.171 57.444 56.287 -0.022 0.000 0.928 1045 K CB -0.165 32.322 32.500 -0.020 0.000 0.713 1045 K HN 0.227 nan 8.250 nan 0.000 0.442 1046 M N 0.340 119.929 119.600 -0.019 0.000 2.175 1046 M HA -0.114 4.354 4.480 -0.019 0.000 0.264 1046 M C 2.228 178.536 176.300 0.013 0.000 1.063 1046 M CA 1.259 56.544 55.300 -0.026 0.000 1.119 1046 M CB -0.670 31.865 32.600 -0.108 0.000 1.377 1046 M HN -0.052 nan 8.290 nan 0.000 0.415 1047 V N 0.246 120.166 119.914 0.009 0.000 2.358 1047 V HA -0.259 3.850 4.120 -0.019 0.000 0.246 1047 V C 2.405 178.501 176.094 0.002 0.000 1.047 1047 V CA 1.513 63.815 62.300 0.004 0.000 1.035 1047 V CB -0.729 31.090 31.823 -0.007 0.000 0.658 1047 V HN 0.506 nan 8.190 nan 0.000 0.452 1048 Q N -0.587 119.211 119.800 -0.002 0.000 2.084 1048 Q HA -0.172 4.157 4.340 -0.019 0.000 0.202 1048 Q C 2.362 178.366 176.000 0.007 0.000 0.978 1048 Q CA 1.815 57.610 55.803 -0.013 0.000 0.844 1048 Q CB -0.304 28.421 28.738 -0.021 0.000 0.898 1048 Q HN 0.542 nan 8.270 nan 0.000 0.426 1049 V N 0.925 120.879 119.914 0.067 0.000 2.261 1049 V HA -0.297 3.811 4.120 -0.019 0.000 0.246 1049 V C 2.289 178.497 176.094 0.190 0.000 1.047 1049 V CA 1.919 64.340 62.300 0.200 0.000 1.015 1049 V CB -1.029 30.919 31.823 0.208 0.000 0.642 1049 V HN 0.414 nan 8.190 nan 0.000 0.446 1050 A N -0.368 122.512 122.820 0.101 0.000 1.883 1050 A HA -0.265 4.044 4.320 -0.019 0.000 0.217 1050 A C 2.591 180.183 177.584 0.013 0.000 1.186 1050 A CA 2.420 54.494 52.037 0.062 0.000 0.624 1050 A CB -0.932 18.090 19.000 0.037 0.000 0.822 1050 A HN 0.537 nan 8.150 nan 0.000 0.444 1051 S N -0.370 115.320 115.700 -0.017 0.000 2.370 1051 S HA -0.251 4.207 4.470 -0.019 0.000 0.226 1051 S C 2.126 176.690 174.600 -0.059 0.000 1.033 1051 S CA 2.081 60.240 58.200 -0.068 0.000 1.011 1051 S CB -0.337 62.824 63.200 -0.066 0.000 0.852 1051 S HN 0.627 nan 8.310 nan 0.000 0.457 1052 K N 0.396 120.775 120.400 -0.034 0.000 2.057 1052 K HA 0.044 4.353 4.320 -0.019 0.000 0.206 1052 K C 2.277 178.904 176.600 0.045 0.000 1.050 1052 K CA 1.082 57.332 56.287 -0.063 0.000 0.935 1052 K CB -0.593 31.758 32.500 -0.249 0.000 0.715 1052 K HN 0.412 nan 8.250 nan 0.000 0.439 1053 A N 1.396 124.309 122.820 0.154 0.000 1.858 1053 A HA -0.114 4.194 4.320 -0.019 0.000 0.216 1053 A C 2.064 179.671 177.584 0.040 0.000 1.190 1053 A CA 1.366 53.506 52.037 0.172 0.000 0.617 1053 A CB -0.669 18.418 19.000 0.144 0.000 0.827 1053 A HN 0.336 nan 8.150 nan 0.000 0.443 1054 L N -1.495 119.720 121.223 -0.013 0.000 2.465 1054 L HA -0.018 4.310 4.340 -0.019 0.000 0.224 1054 L C 0.377 177.189 176.870 -0.098 0.000 1.145 1054 L CA 0.622 55.421 54.840 -0.068 0.000 0.834 1054 L CB -0.281 41.660 42.059 -0.195 0.000 0.944 1054 L HN 0.367 nan 8.230 nan 0.000 0.451 1055 K N 1.173 121.531 120.400 -0.070 0.000 3.125 1055 K HA -0.183 4.125 4.320 -0.019 0.000 0.268 1055 K C -0.305 176.214 176.600 -0.135 0.000 1.078 1055 K CA 0.693 56.949 56.287 -0.052 0.000 0.775 1055 K CB -1.838 30.686 32.500 0.039 0.000 1.253 1055 K HN 0.525 nan 8.250 nan 0.000 0.486 1056 I N -4.003 116.417 120.570 -0.249 0.000 3.002 1056 I HA 0.638 4.796 4.170 -0.019 0.000 0.310 1056 I C -2.624 173.369 176.117 -0.207 0.000 1.087 1056 I CA -3.151 57.949 61.300 -0.333 0.000 1.017 1056 I CB 2.099 39.661 38.000 -0.731 0.000 1.226 1056 I HN -0.289 nan 8.210 nan 0.000 0.443 1057 P HA 0.198 nan 4.420 nan 0.000 0.269 1057 P C 0.992 178.237 177.300 -0.092 0.000 1.215 1057 P CA -0.270 62.769 63.100 -0.102 0.000 0.780 1057 P CB 0.570 32.224 31.700 -0.076 0.000 0.898 1058 I N -0.286 120.250 120.570 -0.057 0.000 2.454 1058 I HA -0.208 3.950 4.170 -0.019 0.000 0.254 1058 I C 1.596 177.709 176.117 -0.007 0.000 1.156 1058 I CA 1.810 63.091 61.300 -0.032 0.000 1.433 1058 I CB -1.044 36.944 38.000 -0.019 0.000 1.082 1058 I HN 0.223 nan 8.210 nan 0.000 0.432 1059 S N 1.047 116.740 115.700 -0.011 0.000 2.507 1059 S HA -0.031 4.428 4.470 -0.019 0.000 0.235 1059 S C 1.702 176.309 174.600 0.012 0.000 0.988 1059 S CA 0.480 58.685 58.200 0.007 0.000 0.944 1059 S CB -0.469 62.728 63.200 -0.004 0.000 0.762 1059 S HN 0.566 nan 8.310 nan 0.000 0.526 1060 K N 0.402 120.796 120.400 -0.010 0.000 2.426 1060 K HA 0.337 4.645 4.320 -0.019 0.000 0.193 1060 K C 0.098 176.731 176.600 0.056 0.000 1.028 1060 K CA 0.239 56.531 56.287 0.007 0.000 1.047 1060 K CB 0.120 32.579 32.500 -0.068 0.000 0.821 1060 K HN 0.489 nan 8.250 nan 0.000 0.513 1061 I N -0.004 120.603 120.570 0.062 0.000 2.603 1061 I HA 0.278 4.437 4.170 -0.019 0.000 0.300 1061 I C -1.033 175.197 176.117 0.188 0.000 1.017 1061 I CA -1.267 60.093 61.300 0.101 0.000 1.098 1061 I CB 1.414 39.437 38.000 0.040 0.000 1.279 1061 I HN -0.160 nan 8.210 nan 0.000 0.437 1062 Y N 5.596 125.910 120.300 0.022 0.000 2.504 1062 Y HA 0.645 5.184 4.550 -0.019 0.000 0.344 1062 Y C -1.360 174.527 175.900 -0.022 0.000 1.023 1062 Y CA -0.845 57.256 58.100 0.002 0.000 1.020 1062 Y CB 1.694 40.160 38.460 0.010 0.000 1.282 1062 Y HN 0.344 nan 8.280 nan 0.000 0.454 1063 I N 4.241 124.444 120.570 -0.612 0.000 2.436 1063 I HA 0.273 4.432 4.170 -0.019 0.000 0.289 1063 I C 0.408 176.011 176.117 -0.857 0.000 1.010 1063 I CA -0.331 60.627 61.300 -0.570 0.000 1.098 1063 I CB 2.152 39.808 38.000 -0.574 0.000 1.266 1063 I HN 0.700 nan 8.210 nan 0.000 0.434 1064 S N 4.895 120.309 115.700 -0.476 0.000 2.398 1064 S HA 0.137 4.595 4.470 -0.019 0.000 0.220 1064 S C 0.329 174.802 174.600 -0.213 0.000 1.046 1064 S CA 0.717 58.765 58.200 -0.253 0.000 0.953 1064 S CB 0.245 63.475 63.200 0.050 0.000 0.856 1064 S HN 0.830 nan 8.310 nan 0.000 0.506 1065 E N -1.339 118.725 120.200 -0.226 0.000 2.429 1065 E HA 0.321 4.660 4.350 -0.019 0.000 0.277 1065 E C -1.702 174.784 176.600 -0.190 0.000 1.130 1065 E CA -0.985 55.328 56.400 -0.145 0.000 0.875 1065 E CB 0.606 30.280 29.700 -0.043 0.000 1.443 1065 E HN -0.001 nan 8.360 nan 0.000 0.444 1066 T N 1.122 115.599 114.554 -0.128 0.000 2.797 1066 T HA 0.669 5.008 4.350 -0.019 0.000 0.279 1066 T C -0.845 173.789 174.700 -0.109 0.000 0.991 1066 T CA -0.483 61.518 62.100 -0.164 0.000 0.979 1066 T CB 1.168 69.944 68.868 -0.154 0.000 0.943 1066 T HN 0.578 nan 8.240 nan 0.000 0.444 1067 S N 0.171 115.809 115.700 -0.103 0.000 2.556 1067 S HA 0.432 4.891 4.470 -0.019 0.000 0.271 1067 S C 0.952 175.514 174.600 -0.064 0.000 1.135 1067 S CA -0.828 57.325 58.200 -0.079 0.000 0.858 1067 S CB 1.352 64.514 63.200 -0.064 0.000 1.114 1067 S HN 0.714 nan 8.310 nan 0.000 0.468 1068 T N -1.363 113.155 114.554 -0.061 0.000 3.085 1068 T HA -0.037 4.302 4.350 -0.019 0.000 0.263 1068 T C 1.032 175.716 174.700 -0.027 0.000 1.127 1068 T CA 1.015 63.090 62.100 -0.043 0.000 1.103 1068 T CB -0.718 68.120 68.868 -0.050 0.000 0.921 1068 T HN 0.719 nan 8.240 nan 0.000 0.510 1069 N N 1.421 120.106 118.700 -0.026 0.000 2.280 1069 N HA -0.003 4.726 4.740 -0.019 0.000 0.192 1069 N C 1.341 176.858 175.510 0.011 0.000 1.109 1069 N CA 0.809 53.854 53.050 -0.008 0.000 0.855 1069 N CB -0.261 38.221 38.487 -0.009 0.000 0.974 1069 N HN 0.624 nan 8.380 nan 0.000 0.482 1070 T N -3.013 111.544 114.554 0.004 0.000 3.071 1070 T HA 0.270 4.608 4.350 -0.019 0.000 0.239 1070 T C 0.449 175.159 174.700 0.017 0.000 0.997 1070 T CA 0.087 62.197 62.100 0.017 0.000 1.134 1070 T CB -0.150 68.717 68.868 -0.001 0.000 0.928 1070 T HN -0.111 nan 8.240 nan 0.000 0.453 1071 V N 4.740 124.659 119.914 0.008 0.000 2.409 1071 V HA 0.527 4.635 4.120 -0.019 0.000 0.290 1071 V C -2.530 173.589 176.094 0.041 0.000 1.017 1071 V CA -1.988 60.338 62.300 0.043 0.000 0.841 1071 V CB 1.877 33.735 31.823 0.058 0.000 1.003 1071 V HN 0.384 nan 8.190 nan 0.000 0.426 1072 P HA 0.403 nan 4.420 nan 0.000 0.281 1072 P C -0.288 177.050 177.300 0.062 0.000 1.264 1072 P CA -0.356 62.766 63.100 0.036 0.000 0.824 1072 P CB 0.792 32.504 31.700 0.021 0.000 1.092 1073 N N -1.804 116.918 118.700 0.037 0.000 2.735 1073 N HA -0.129 4.600 4.740 -0.019 0.000 0.248 1073 N C -0.176 175.384 175.510 0.084 0.000 1.083 1073 N CA 1.041 54.117 53.050 0.045 0.000 0.703 1073 N CB -2.345 36.173 38.487 0.051 0.000 1.005 1073 N HN 0.643 nan 8.380 nan 0.000 0.550 1074 S N -1.636 114.112 115.700 0.081 0.000 2.564 1074 S HA 0.470 4.928 4.470 -0.019 0.000 0.278 1074 S C 0.725 175.377 174.600 0.086 0.000 1.333 1074 S CA -0.614 57.661 58.200 0.125 0.000 1.048 1074 S CB 1.666 64.940 63.200 0.124 0.000 0.900 1074 S HN 0.195 nan 8.310 nan 0.000 0.505 1075 S N 4.107 119.864 115.700 0.095 0.000 2.576 1075 S HA 0.289 4.748 4.470 -0.019 0.000 0.272 1075 S C -1.962 172.684 174.600 0.077 0.000 1.352 1075 S CA -0.738 57.456 58.200 -0.011 0.000 1.021 1075 S CB -0.245 62.856 63.200 -0.166 0.000 0.887 1075 S HN 0.737 nan 8.310 nan 0.000 0.542 1076 P HA 0.072 nan 4.420 nan 0.000 0.269 1076 P C -0.709 176.738 177.300 0.246 0.000 1.215 1076 P CA -0.220 62.949 63.100 0.113 0.000 0.780 1076 P CB 0.039 31.801 31.700 0.103 0.000 0.898 1077 T N 1.588 116.249 114.554 0.179 0.000 2.848 1077 T HA 0.477 4.816 4.350 -0.019 0.000 0.283 1077 T C 0.270 175.059 174.700 0.148 0.000 0.919 1077 T CA 0.384 62.597 62.100 0.189 0.000 1.071 1077 T CB -0.664 68.254 68.868 0.082 0.000 0.912 1077 T HN 0.630 nan 8.240 nan 0.000 0.570 1078 A N 2.240 125.160 122.820 0.168 0.000 2.511 1078 A HA 0.829 5.137 4.320 -0.019 0.000 0.293 1078 A C 0.534 177.942 177.584 -0.294 0.000 1.098 1078 A CA -0.287 51.771 52.037 0.036 0.000 0.643 1078 A CB 0.085 19.183 19.000 0.162 0.000 1.302 1078 A HN 1.544 nan 8.150 nan 0.000 0.446 1079 A N -0.825 121.754 122.820 -0.402 0.000 2.979 1079 A HA 0.055 4.364 4.320 -0.019 0.000 0.260 1079 A C 1.266 178.666 177.584 -0.307 0.000 1.282 1079 A CA 1.770 53.470 52.037 -0.561 0.000 0.971 1079 A CB -2.523 15.641 19.000 -1.394 0.000 1.124 1079 A HN 2.532 nan 8.150 nan 0.000 0.826 1080 S N -4.260 111.334 115.700 -0.177 0.000 3.257 1080 S HA -0.357 4.102 4.470 -0.019 0.000 0.300 1080 S C 1.137 175.674 174.600 -0.105 0.000 1.275 1080 S CA 2.044 60.179 58.200 -0.107 0.000 1.023 1080 S CB -2.410 60.735 63.200 -0.092 0.000 1.180 1080 S HN 2.307 nan 8.310 nan 0.000 0.660 1081 V N -2.247 117.566 119.914 -0.169 0.000 3.647 1081 V HA 0.272 4.380 4.120 -0.019 0.000 0.279 1081 V C 1.672 177.730 176.094 -0.060 0.000 1.314 1081 V CA 0.844 63.066 62.300 -0.130 0.000 1.125 1081 V CB 0.283 31.979 31.823 -0.212 0.000 0.907 1081 V HN 0.368 nan 8.190 nan 0.000 0.434 1082 S N 1.684 117.396 115.700 0.019 0.000 2.359 1082 S HA -0.202 4.256 4.470 -0.019 0.000 0.224 1082 S C 2.005 176.688 174.600 0.137 0.000 1.035 1082 S CA 2.322 60.631 58.200 0.182 0.000 1.018 1082 S CB -0.611 62.766 63.200 0.294 0.000 0.876 1082 S HN 0.744 nan 8.310 nan 0.000 0.448 1083 T N 2.329 116.916 114.554 0.056 0.000 2.665 1083 T HA -0.149 4.189 4.350 -0.019 0.000 0.268 1083 T C 1.454 176.131 174.700 -0.038 0.000 1.035 1083 T CA 1.727 63.835 62.100 0.013 0.000 1.151 1083 T CB -0.655 68.217 68.868 0.008 0.000 0.862 1083 T HN 0.313 nan 8.240 nan 0.000 0.438 1084 D N 0.987 121.358 120.400 -0.048 0.000 2.084 1084 D HA -0.061 4.568 4.640 -0.019 0.000 0.194 1084 D C 2.154 178.313 176.300 -0.235 0.000 0.990 1084 D CA 1.128 55.070 54.000 -0.097 0.000 0.826 1084 D CB -0.359 40.443 40.800 0.003 0.000 0.971 1084 D HN 0.596 nan 8.370 nan 0.000 0.453 1085 I N -2.696 117.733 120.570 -0.236 0.000 2.494 1085 I HA -0.087 4.072 4.170 -0.019 0.000 0.250 1085 I C 1.883 177.755 176.117 -0.407 0.000 1.112 1085 I CA 0.651 61.756 61.300 -0.326 0.000 1.438 1085 I CB -0.736 37.102 38.000 -0.271 0.000 1.111 1085 I HN -0.094 nan 8.210 nan 0.000 0.431 1086 Y N 2.471 122.729 120.300 -0.070 0.000 2.293 1086 Y HA 0.013 4.551 4.550 -0.019 0.000 0.291 1086 Y C 2.820 178.631 175.900 -0.148 0.000 1.137 1086 Y CA 1.116 59.156 58.100 -0.099 0.000 1.202 1086 Y CB -0.838 37.522 38.460 -0.167 0.000 0.990 1086 Y HN 0.239 nan 8.280 nan 0.000 0.537 1087 G N -0.246 108.516 108.800 -0.064 0.000 2.446 1087 G HA2 -0.341 3.607 3.960 -0.019 0.000 0.217 1087 G HA3 -0.341 3.607 3.960 -0.019 0.000 0.217 1087 G C 1.495 176.320 174.900 -0.125 0.000 1.168 1087 G CA 1.214 46.259 45.100 -0.092 0.000 0.771 1087 G HN 0.273 nan 8.290 nan 0.000 0.551 1088 Q N 0.409 120.037 119.800 -0.287 0.000 2.079 1088 Q HA 0.149 4.477 4.340 -0.019 0.000 0.200 1088 Q C 2.807 178.773 176.000 -0.057 0.000 0.974 1088 Q CA 1.771 57.372 55.803 -0.337 0.000 0.840 1088 Q CB -0.638 27.509 28.738 -0.986 0.000 0.898 1088 Q HN 0.398 nan 8.270 nan 0.000 0.430 1089 A N -0.735 122.078 122.820 -0.012 0.000 1.908 1089 A HA -0.156 4.152 4.320 -0.019 0.000 0.218 1089 A C 2.264 179.923 177.584 0.125 0.000 1.181 1089 A CA 1.707 53.808 52.037 0.107 0.000 0.627 1089 A CB -0.881 18.206 19.000 0.144 0.000 0.818 1089 A HN 0.261 nan 8.150 nan 0.000 0.445 1090 V N -1.474 118.505 119.914 0.108 0.000 2.295 1090 V HA -0.286 3.823 4.120 -0.019 0.000 0.246 1090 V C 2.339 178.493 176.094 0.099 0.000 1.049 1090 V CA 2.137 64.496 62.300 0.099 0.000 1.024 1090 V CB -1.039 30.828 31.823 0.075 0.000 0.648 1090 V HN 0.718 nan 8.190 nan 0.000 0.447 1091 Y N 1.186 121.473 120.300 -0.021 0.000 2.128 1091 Y HA -0.257 4.281 4.550 -0.019 0.000 0.284 1091 Y C 2.645 178.545 175.900 0.001 0.000 1.154 1091 Y CA 2.134 60.215 58.100 -0.032 0.000 1.149 1091 Y CB -0.093 38.279 38.460 -0.146 0.000 0.976 1091 Y HN 0.232 nan 8.280 nan 0.000 0.505 1092 E N 0.405 120.682 120.200 0.129 0.000 2.051 1092 E HA -0.209 4.130 4.350 -0.019 0.000 0.192 1092 E C 2.457 179.062 176.600 0.008 0.000 0.991 1092 E CA 1.150 57.589 56.400 0.065 0.000 0.799 1092 E CB -0.908 28.887 29.700 0.158 0.000 0.748 1092 E HN 0.587 nan 8.360 nan 0.000 0.449 1093 A N 0.806 123.652 122.820 0.043 0.000 1.917 1093 A HA -0.238 4.071 4.320 -0.019 0.000 0.219 1093 A C 2.645 180.231 177.584 0.003 0.000 1.182 1093 A CA 1.714 53.774 52.037 0.038 0.000 0.633 1093 A CB -1.027 18.006 19.000 0.055 0.000 0.819 1093 A HN 0.371 nan 8.150 nan 0.000 0.448 1094 C N -1.014 118.261 119.300 -0.042 0.000 2.435 1094 C HA -0.073 4.375 4.460 -0.019 0.000 0.279 1094 C C 2.879 177.811 174.990 -0.096 0.000 1.321 1094 C CA 1.099 60.084 59.018 -0.055 0.000 1.752 1094 C CB -1.013 26.671 27.740 -0.093 0.000 1.959 1094 C HN 0.597 nan 8.230 nan 0.000 0.500 1095 Q N 0.257 119.936 119.800 -0.201 0.000 2.119 1095 Q HA -0.104 4.225 4.340 -0.019 0.000 0.201 1095 Q C 2.271 178.242 176.000 -0.049 0.000 0.972 1095 Q CA 1.688 57.390 55.803 -0.168 0.000 0.847 1095 Q CB -1.120 27.493 28.738 -0.209 0.000 0.903 1095 Q HN 0.621 nan 8.270 nan 0.000 0.433 1096 T N 1.772 116.313 114.554 -0.020 0.000 2.684 1096 T HA -0.108 4.231 4.350 -0.019 0.000 0.267 1096 T C 2.041 176.761 174.700 0.035 0.000 1.036 1096 T CA 1.140 63.249 62.100 0.016 0.000 1.148 1096 T CB -0.274 68.611 68.868 0.030 0.000 0.863 1096 T HN 0.186 nan 8.240 nan 0.000 0.436 1097 I N 0.685 121.286 120.570 0.051 0.000 2.163 1097 I HA -0.168 3.990 4.170 -0.019 0.000 0.243 1097 I C 2.329 178.507 176.117 0.103 0.000 1.085 1097 I CA 1.229 62.583 61.300 0.090 0.000 1.347 1097 I CB -0.428 37.657 38.000 0.142 0.000 1.044 1097 I HN 0.203 nan 8.210 nan 0.000 0.408 1098 L N 0.360 121.639 121.223 0.094 0.000 2.042 1098 L HA -0.251 4.078 4.340 -0.019 0.000 0.210 1098 L C 2.698 179.592 176.870 0.041 0.000 1.076 1098 L CA 1.330 56.222 54.840 0.086 0.000 0.749 1098 L CB -0.676 41.412 42.059 0.048 0.000 0.893 1098 L HN 0.231 nan 8.230 nan 0.000 0.432 1099 K N 0.287 120.702 120.400 0.025 0.000 2.057 1099 K HA -0.146 4.162 4.320 -0.019 0.000 0.207 1099 K C 2.114 178.728 176.600 0.024 0.000 1.049 1099 K CA 1.373 57.667 56.287 0.012 0.000 0.931 1099 K CB -0.384 32.121 32.500 0.009 0.000 0.714 1099 K HN 0.374 nan 8.250 nan 0.000 0.440 1100 R N 0.605 121.136 120.500 0.052 0.000 2.115 1100 R HA 0.038 4.366 4.340 -0.019 0.000 0.230 1100 R C 2.326 178.728 176.300 0.170 0.000 1.111 1100 R CA 0.702 56.856 56.100 0.091 0.000 0.976 1100 R CB -0.226 30.124 30.300 0.084 0.000 0.870 1100 R HN 0.127 nan 8.270 nan 0.000 0.445 1101 L N 0.225 121.525 121.223 0.128 0.000 2.492 1101 L HA -0.021 4.307 4.340 -0.019 0.000 0.223 1101 L C 2.180 179.094 176.870 0.073 0.000 1.132 1101 L CA 0.328 55.273 54.840 0.174 0.000 0.850 1101 L CB -0.128 41.965 42.059 0.057 0.000 0.966 1101 L HN 0.089 nan 8.230 nan 0.000 0.454 1102 E N 1.343 121.527 120.200 -0.025 0.000 2.085 1102 E HA -0.190 4.149 4.350 -0.019 0.000 0.194 1102 E C -0.657 175.816 176.600 -0.211 0.000 0.994 1102 E CA 1.662 57.982 56.400 -0.134 0.000 0.801 1102 E CB -0.894 28.749 29.700 -0.095 0.000 0.743 1102 E HN 0.249 nan 8.360 nan 0.000 0.453 1103 P HA -0.098 nan 4.420 nan 0.000 0.218 1103 P C 0.748 177.720 177.300 -0.547 0.000 1.149 1103 P CA 1.207 64.039 63.100 -0.447 0.000 0.817 1103 P CB -0.113 31.193 31.700 -0.655 0.000 0.785 1104 F N -0.013 119.838 119.950 -0.165 0.000 2.234 1104 F HA 0.015 4.530 4.527 -0.019 0.000 0.296 1104 F C 2.434 178.049 175.800 -0.308 0.000 1.089 1104 F CA 1.000 58.912 58.000 -0.146 0.000 1.343 1104 F CB -0.688 38.269 39.000 -0.071 0.000 1.040 1104 F HN -0.192 nan 8.300 nan 0.000 0.498 1105 K N 1.114 121.204 120.400 -0.517 0.000 2.057 1105 K HA -0.191 4.118 4.320 -0.019 0.000 0.207 1105 K C 1.958 178.346 176.600 -0.354 0.000 1.049 1105 K CA 1.449 57.161 56.287 -0.959 0.000 0.931 1105 K CB -0.081 31.728 32.500 -1.151 0.000 0.714 1105 K HN 0.148 nan 8.250 nan 0.000 0.440 1106 K N 0.480 120.729 120.400 -0.251 0.000 2.097 1106 K HA -0.112 4.196 4.320 -0.019 0.000 0.206 1106 K C 2.030 178.585 176.600 -0.075 0.000 1.049 1106 K CA 1.480 57.683 56.287 -0.140 0.000 0.933 1106 K CB 0.079 32.491 32.500 -0.147 0.000 0.717 1106 K HN 0.116 nan 8.250 nan 0.000 0.442 1107 K N 0.026 120.383 120.400 -0.072 0.000 2.217 1107 K HA -0.062 4.246 4.320 -0.019 0.000 0.202 1107 K C 0.634 177.278 176.600 0.074 0.000 1.051 1107 K CA 0.698 56.981 56.287 -0.006 0.000 0.952 1107 K CB 0.095 32.593 32.500 -0.003 0.000 0.736 1107 K HN -0.024 nan 8.250 nan 0.000 0.453 1108 N N -0.061 118.722 118.700 0.137 0.000 2.733 1108 N HA 0.115 4.844 4.740 -0.019 0.000 0.271 1108 N C -2.406 173.342 175.510 0.396 0.000 1.720 1108 N CA -1.801 51.409 53.050 0.266 0.000 0.803 1108 N CB 1.039 39.740 38.487 0.356 0.000 1.208 1108 N HN -0.168 nan 8.380 nan 0.000 0.498 1109 P HA 0.049 nan 4.420 nan 0.000 0.226 1109 P C -0.143 177.358 177.300 0.336 0.000 1.153 1109 P CA 0.972 64.224 63.100 0.253 0.000 0.777 1109 P CB 0.522 32.293 31.700 0.118 0.000 0.794 1110 D N -0.431 120.121 120.400 0.252 0.000 2.368 1110 D HA 0.142 4.770 4.640 -0.019 0.000 0.218 1110 D C 1.308 177.685 176.300 0.128 0.000 1.112 1110 D CA 0.150 54.257 54.000 0.178 0.000 0.834 1110 D CB 0.386 41.251 40.800 0.108 0.000 0.953 1110 D HN 0.118 nan 8.370 nan 0.000 0.505 1111 G N 0.663 109.573 108.800 0.183 0.000 2.563 1111 G HA2 0.350 4.299 3.960 -0.019 0.000 0.283 1111 G HA3 0.350 4.299 3.960 -0.019 0.000 0.283 1111 G C 0.255 174.888 174.900 -0.445 0.000 1.309 1111 G CA -0.301 44.763 45.100 -0.061 0.000 1.022 1111 G HN 0.149 nan 8.290 nan 0.000 0.501 1112 S N -1.242 114.112 115.700 -0.576 0.000 2.687 1112 S HA 0.156 4.614 4.470 -0.019 0.000 0.283 1112 S C 1.110 175.056 174.600 -1.089 0.000 1.170 1112 S CA -0.485 57.327 58.200 -0.647 0.000 1.008 1112 S CB 1.213 64.245 63.200 -0.281 0.000 1.026 1112 S HN 0.791 nan 8.310 nan 0.000 0.541 1113 W N 1.713 122.466 121.300 -0.912 0.000 2.290 1113 W HA -0.281 4.368 4.660 -0.019 0.000 0.318 1113 W C 1.138 177.513 176.519 -0.241 0.000 1.248 1113 W CA 2.529 59.597 57.345 -0.462 0.000 1.263 1113 W CB -0.509 28.857 29.460 -0.157 0.000 1.147 1113 W HN 0.861 nan 8.180 nan 0.000 0.494 1114 E N 0.584 120.671 120.200 -0.189 0.000 2.110 1114 E HA -0.200 4.138 4.350 -0.019 0.000 0.193 1114 E C 1.639 178.097 176.600 -0.237 0.000 0.988 1114 E CA 1.910 58.192 56.400 -0.197 0.000 0.804 1114 E CB -0.706 28.957 29.700 -0.062 0.000 0.745 1114 E HN 0.209 nan 8.360 nan 0.000 0.458 1115 D N -0.673 119.563 120.400 -0.273 0.000 2.097 1115 D HA -0.141 4.487 4.640 -0.019 0.000 0.197 1115 D C 1.609 177.866 176.300 -0.072 0.000 0.984 1115 D CA 0.788 54.682 54.000 -0.177 0.000 0.826 1115 D CB -0.249 40.432 40.800 -0.199 0.000 0.973 1115 D HN 0.272 nan 8.370 nan 0.000 0.460 1116 W N 1.138 122.350 121.300 -0.147 0.000 2.358 1116 W HA -0.065 4.584 4.660 -0.019 0.000 0.303 1116 W C 2.341 178.627 176.519 -0.388 0.000 1.208 1116 W CA 0.118 57.354 57.345 -0.182 0.000 1.274 1116 W CB -1.347 28.034 29.460 -0.131 0.000 1.138 1116 W HN -0.130 nan 8.180 nan 0.000 0.515 1117 V N 0.773 120.513 119.914 -0.290 0.000 2.255 1117 V HA -0.345 3.763 4.120 -0.019 0.000 0.247 1117 V C 2.302 178.251 176.094 -0.242 0.000 1.051 1117 V CA 2.382 64.448 62.300 -0.390 0.000 1.018 1117 V CB -0.985 30.506 31.823 -0.552 0.000 0.641 1117 V HN 0.056 nan 8.190 nan 0.000 0.445 1118 M N 0.645 120.143 119.600 -0.170 0.000 2.159 1118 M HA -0.065 4.404 4.480 -0.019 0.000 0.263 1118 M C 1.980 178.231 176.300 -0.081 0.000 1.063 1118 M CA 2.102 57.359 55.300 -0.071 0.000 1.110 1118 M CB -0.696 31.876 32.600 -0.047 0.000 1.374 1118 M HN 0.267 nan 8.290 nan 0.000 0.411 1119 A N -0.506 122.218 122.820 -0.160 0.000 1.930 1119 A HA 0.119 4.428 4.320 -0.019 0.000 0.217 1119 A C 2.333 179.550 177.584 -0.610 0.000 1.175 1119 A CA 1.737 53.647 52.037 -0.212 0.000 0.627 1119 A CB -1.274 17.705 19.000 -0.035 0.000 0.815 1119 A HN 0.608 nan 8.150 nan 0.000 0.443 1120 A N -1.346 120.885 122.820 -0.982 0.000 1.898 1120 A HA -0.078 4.230 4.320 -0.019 0.000 0.216 1120 A C 2.124 179.470 177.584 -0.396 0.000 1.181 1120 A CA 1.584 52.946 52.037 -1.126 0.000 0.620 1120 A CB -0.827 17.655 19.000 -0.865 0.000 0.819 1120 A HN 0.739 nan 8.150 nan 0.000 0.442 1121 Y N 0.643 120.752 120.300 -0.318 0.000 2.165 1121 Y HA -0.236 4.302 4.550 -0.019 0.000 0.286 1121 Y C 2.339 178.166 175.900 -0.122 0.000 1.155 1121 Y CA 2.339 60.335 58.100 -0.174 0.000 1.164 1121 Y CB -0.383 37.996 38.460 -0.135 0.000 0.978 1121 Y HN 0.428 nan 8.280 nan 0.000 0.513 1122 Q N -0.666 118.984 119.800 -0.250 0.000 2.297 1122 Q HA -0.144 4.184 4.340 -0.019 0.000 0.204 1122 Q C 1.224 177.109 176.000 -0.192 0.000 0.962 1122 Q CA 1.081 56.736 55.803 -0.246 0.000 0.879 1122 Q CB 0.070 28.771 28.738 -0.063 0.000 0.947 1122 Q HN 0.532 nan 8.270 nan 0.000 0.462 1123 D N 0.131 120.445 120.400 -0.143 0.000 2.339 1123 D HA 0.050 4.678 4.640 -0.019 0.000 0.217 1123 D C -0.366 175.904 176.300 -0.051 0.000 1.050 1123 D CA 0.001 53.988 54.000 -0.020 0.000 0.856 1123 D CB 0.350 41.263 40.800 0.188 0.000 0.922 1123 D HN 0.099 nan 8.370 nan 0.000 0.518 1124 R N -0.287 120.111 120.500 -0.169 0.000 3.423 1124 R HA -0.134 4.195 4.340 -0.019 0.000 0.271 1124 R C -0.684 175.582 176.300 -0.057 0.000 1.093 1124 R CA -0.018 55.992 56.100 -0.151 0.000 0.730 1124 R CB -2.115 28.112 30.300 -0.121 0.000 1.190 1124 R HN -0.020 nan 8.270 nan 0.000 0.437 1125 V N 0.935 120.825 119.914 -0.041 0.000 2.407 1125 V HA 0.210 4.319 4.120 -0.019 0.000 0.278 1125 V C 0.926 177.018 176.094 -0.003 0.000 1.037 1125 V CA -0.284 62.025 62.300 0.015 0.000 0.900 1125 V CB 1.808 33.683 31.823 0.087 0.000 0.983 1125 V HN 0.345 nan 8.190 nan 0.000 0.459 1126 S N 4.895 120.603 115.700 0.014 0.000 2.533 1126 S HA 0.307 4.766 4.470 -0.019 0.000 0.282 1126 S C 0.320 174.931 174.600 0.018 0.000 1.304 1126 S CA -0.374 57.837 58.200 0.017 0.000 1.063 1126 S CB 0.128 63.340 63.200 0.020 0.000 0.881 1126 S HN 0.592 nan 8.310 nan 0.000 0.493 1127 L N 4.279 125.509 121.223 0.011 0.000 2.984 1127 L HA 0.346 4.675 4.340 -0.019 0.000 0.246 1127 L C 0.480 177.364 176.870 0.023 0.000 1.268 1127 L CA -0.224 54.617 54.840 0.002 0.000 1.054 1127 L CB 0.295 42.334 42.059 -0.033 0.000 1.393 1127 L HN 0.547 nan 8.230 nan 0.000 0.532 1128 S N -0.526 115.205 115.700 0.052 0.000 2.557 1128 S HA 0.711 5.170 4.470 -0.019 0.000 0.291 1128 S C -0.626 174.033 174.600 0.099 0.000 1.116 1128 S CA -0.288 57.990 58.200 0.129 0.000 0.992 1128 S CB 1.942 65.229 63.200 0.145 0.000 1.028 1128 S HN 0.122 nan 8.310 nan 0.000 0.484 1129 T N 1.946 116.553 114.554 0.088 0.000 2.840 1129 T HA 0.635 4.974 4.350 -0.019 0.000 0.317 1129 T C -0.608 174.123 174.700 0.052 0.000 1.401 1129 T CA -0.328 61.810 62.100 0.064 0.000 1.028 1129 T CB 1.436 70.337 68.868 0.055 0.000 1.317 1129 T HN 0.842 nan 8.240 nan 0.000 0.495 1130 T N 0.357 114.947 114.554 0.061 0.000 2.899 1130 T HA 0.758 5.097 4.350 -0.019 0.000 0.284 1130 T C 0.464 175.227 174.700 0.104 0.000 1.004 1130 T CA -0.411 61.737 62.100 0.080 0.000 1.043 1130 T CB 1.229 70.145 68.868 0.081 0.000 1.013 1130 T HN 0.907 nan 8.240 nan 0.000 0.518 1131 G N 0.072 108.962 108.800 0.150 0.000 2.563 1131 G HA2 0.662 4.611 3.960 -0.019 0.000 0.302 1131 G HA3 0.662 4.611 3.960 -0.019 0.000 0.302 1131 G C -2.083 173.002 174.900 0.309 0.000 1.301 1131 G CA -0.856 44.357 45.100 0.187 0.000 0.965 1131 G HN 0.718 nan 8.290 nan 0.000 0.480 1132 F N 0.629 120.646 119.950 0.111 0.000 2.619 1132 F HA 0.708 5.224 4.527 -0.019 0.000 0.308 1132 F C -1.898 174.004 175.800 0.170 0.000 1.097 1132 F CA -1.137 56.936 58.000 0.120 0.000 0.953 1132 F CB 2.348 41.393 39.000 0.075 0.000 1.287 1132 F HN 0.561 nan 8.300 nan 0.000 0.446 1133 Y N 4.844 124.862 120.300 -0.470 0.000 2.492 1133 Y HA 0.645 5.183 4.550 -0.019 0.000 0.346 1133 Y C -1.463 174.116 175.900 -0.535 0.000 0.997 1133 Y CA -1.073 56.827 58.100 -0.335 0.000 1.025 1133 Y CB 1.544 39.855 38.460 -0.250 0.000 1.263 1133 Y HN 0.698 nan 8.280 nan 0.000 0.454 1134 R N 3.921 123.866 120.500 -0.924 0.000 2.473 1134 R HA 0.372 4.701 4.340 -0.019 0.000 0.303 1134 R C -1.257 174.445 176.300 -0.997 0.000 1.002 1134 R CA -0.484 55.197 56.100 -0.699 0.000 0.884 1134 R CB 1.132 31.267 30.300 -0.274 0.000 1.173 1134 R HN 0.844 nan 8.270 nan 0.000 0.464 1135 T N 6.877 120.937 114.554 -0.823 0.000 2.831 1135 T HA 0.093 4.431 4.350 -0.019 0.000 0.291 1135 T C -2.027 172.427 174.700 -0.410 0.000 0.981 1135 T CA -0.501 61.211 62.100 -0.645 0.000 1.174 1135 T CB 0.496 69.124 68.868 -0.400 0.000 0.929 1135 T HN 0.445 nan 8.240 nan 0.000 0.532 1136 P HA 0.283 nan 4.420 nan 0.000 0.279 1136 P C -0.013 177.260 177.300 -0.044 0.000 1.252 1136 P CA -0.578 62.444 63.100 -0.131 0.000 0.811 1136 P CB 0.515 32.191 31.700 -0.040 0.000 1.035 1137 N N -1.172 117.516 118.700 -0.019 0.000 2.747 1137 N HA -0.135 4.593 4.740 -0.019 0.000 0.249 1137 N C -0.638 174.876 175.510 0.007 0.000 1.107 1137 N CA 0.770 53.828 53.050 0.013 0.000 0.707 1137 N CB -1.831 36.689 38.487 0.056 0.000 1.054 1137 N HN 0.465 nan 8.380 nan 0.000 0.555 1138 L N -0.026 121.180 121.223 -0.028 0.000 2.322 1138 L HA 0.717 5.046 4.340 -0.019 0.000 0.279 1138 L C 0.968 177.818 176.870 -0.034 0.000 1.036 1138 L CA -0.432 54.380 54.840 -0.047 0.000 0.807 1138 L CB 1.912 43.921 42.059 -0.083 0.000 1.226 1138 L HN 0.239 nan 8.230 nan 0.000 0.433 1139 G N 1.971 110.752 108.800 -0.031 0.000 2.482 1139 G HA2 -0.014 3.935 3.960 -0.019 0.000 0.201 1139 G HA3 -0.014 3.935 3.960 -0.019 0.000 0.201 1139 G C -1.640 173.270 174.900 0.016 0.000 3.137 1139 G CA -0.752 44.346 45.100 -0.002 0.000 0.798 1139 G HN 0.405 nan 8.290 nan 0.000 0.493 1140 Y N 2.399 122.638 120.300 -0.102 0.000 2.304 1140 Y HA 0.735 5.274 4.550 -0.019 0.000 0.328 1140 Y C 0.304 176.180 175.900 -0.039 0.000 1.123 1140 Y CA -0.391 57.643 58.100 -0.110 0.000 1.218 1140 Y CB 1.983 40.312 38.460 -0.218 0.000 1.207 1140 Y HN 0.549 nan 8.280 nan 0.000 0.495 1141 S N 5.766 120.923 115.700 -0.905 0.000 2.498 1141 S HA 0.323 4.781 4.470 -0.019 0.000 0.317 1141 S C 0.252 174.306 174.600 -0.910 0.000 1.090 1141 S CA -0.647 57.192 58.200 -0.602 0.000 1.089 1141 S CB 0.071 63.098 63.200 -0.289 0.000 0.997 1141 S HN 0.735 nan 8.310 nan 0.000 0.470 1142 F N 2.891 122.605 119.950 -0.394 0.000 2.293 1142 F HA 0.045 4.560 4.527 -0.019 0.000 0.300 1142 F C 2.106 177.852 175.800 -0.091 0.000 1.086 1142 F CA 0.901 58.826 58.000 -0.125 0.000 1.375 1142 F CB 0.017 39.054 39.000 0.063 0.000 1.045 1142 F HN 0.546 nan 8.300 nan 0.000 0.516 1143 E N -0.746 119.486 120.200 0.052 0.000 2.152 1143 E HA -0.117 4.221 4.350 -0.019 0.000 0.192 1143 E C 2.169 178.758 176.600 -0.018 0.000 0.983 1143 E CA 1.717 58.133 56.400 0.028 0.000 0.818 1143 E CB -0.509 29.202 29.700 0.017 0.000 0.758 1143 E HN 0.364 nan 8.360 nan 0.000 0.467 1144 T N -2.817 111.684 114.554 -0.089 0.000 3.054 1144 T HA 0.104 4.442 4.350 -0.019 0.000 0.255 1144 T C 0.526 175.174 174.700 -0.087 0.000 1.035 1144 T CA 0.111 62.164 62.100 -0.078 0.000 0.941 1144 T CB -0.126 68.693 68.868 -0.082 0.000 1.026 1144 T HN 0.010 nan 8.240 nan 0.000 0.533 1145 N N 1.062 119.671 118.700 -0.150 0.000 2.688 1145 N HA -0.181 4.547 4.740 -0.019 0.000 0.258 1145 N C -0.800 174.699 175.510 -0.018 0.000 1.016 1145 N CA 0.906 53.920 53.050 -0.061 0.000 0.747 1145 N CB -1.490 37.053 38.487 0.092 0.000 0.895 1145 N HN 0.660 nan 8.380 nan 0.000 0.543 1146 S N -0.731 114.839 115.700 -0.217 0.000 2.588 1146 S HA 0.781 5.240 4.470 -0.019 0.000 0.269 1146 S C -0.400 174.160 174.600 -0.068 0.000 1.157 1146 S CA 0.577 58.744 58.200 -0.056 0.000 0.824 1146 S CB 1.218 64.379 63.200 -0.065 0.000 1.126 1146 S HN 1.572 nan 8.310 nan 0.000 0.464 1147 G N 2.675 111.494 108.800 0.032 0.000 2.716 1147 G HA2 -0.136 3.813 3.960 -0.019 0.000 0.686 1147 G HA3 -0.136 3.813 3.960 -0.019 0.000 0.686 1147 G C -1.164 173.809 174.900 0.122 0.000 1.337 1147 G CA -0.775 44.350 45.100 0.042 0.000 0.829 1147 G HN 0.800 nan 8.290 nan 0.000 0.599 1148 N N 0.505 119.236 118.700 0.051 0.000 2.452 1148 N HA 0.407 5.136 4.740 -0.019 0.000 0.266 1148 N C 1.243 176.671 175.510 -0.137 0.000 1.175 1148 N CA 0.532 53.585 53.050 0.005 0.000 0.945 1148 N CB 1.530 40.022 38.487 0.007 0.000 1.063 1148 N HN 1.062 nan 8.380 nan 0.000 0.472 1149 A N 2.650 125.236 122.820 -0.389 0.000 2.030 1149 A HA 0.200 4.509 4.320 -0.019 0.000 0.215 1149 A C 0.088 176.934 177.584 -1.230 0.000 1.164 1149 A CA 0.715 52.128 52.037 -1.040 0.000 0.697 1149 A CB 0.088 17.784 19.000 -2.174 0.000 0.827 1149 A HN 0.570 nan 8.150 nan 0.000 0.457 1150 F N -3.794 115.934 119.950 -0.370 0.000 2.603 1150 F HA 0.462 4.978 4.527 -0.019 0.000 0.317 1150 F C 1.001 176.637 175.800 -0.273 0.000 1.066 1150 F CA -0.812 56.912 58.000 -0.459 0.000 0.941 1150 F CB 1.194 39.680 39.000 -0.857 0.000 1.291 1150 F HN 0.082 nan 8.300 nan 0.000 0.472 1151 H N 0.574 119.542 119.070 -0.169 0.000 2.372 1151 H HA 0.095 4.640 4.556 -0.019 0.000 0.301 1151 H C -0.845 174.517 175.328 0.056 0.000 1.065 1151 H CA 1.700 57.721 56.048 -0.045 0.000 1.364 1151 H CB 0.252 30.028 29.762 0.023 0.000 1.406 1151 H HN 0.533 nan 8.280 nan 0.000 0.521 1152 Y N -4.411 115.767 120.300 -0.203 0.000 2.895 1152 Y HA 0.427 4.965 4.550 -0.020 0.000 0.339 1152 Y C -1.802 173.803 175.900 -0.491 0.000 1.363 1152 Y CA -1.989 55.971 58.100 -0.233 0.000 1.085 1152 Y CB 0.574 38.955 38.460 -0.133 0.000 1.500 1152 Y HN -0.207 nan 8.280 nan 0.000 0.442 1153 F N 0.283 120.247 119.950 0.023 0.000 2.532 1153 F HA 0.692 5.208 4.527 -0.019 0.000 0.321 1153 F C -0.130 175.408 175.800 -0.436 0.000 1.089 1153 F CA -0.869 56.929 58.000 -0.337 0.000 0.926 1153 F CB 2.597 41.352 39.000 -0.409 0.000 1.168 1153 F HN 0.468 nan 8.300 nan 0.000 0.459 1154 T N 2.145 116.567 114.554 -0.220 0.000 2.837 1154 T HA 0.522 4.860 4.350 -0.019 0.000 0.285 1154 T C -1.110 173.408 174.700 -0.303 0.000 0.984 1154 T CA -0.372 61.630 62.100 -0.162 0.000 1.049 1154 T CB 0.460 69.351 68.868 0.039 0.000 0.947 1154 T HN 0.313 nan 8.240 nan 0.000 0.472 1155 Y N 0.197 120.585 120.300 0.147 0.000 2.598 1155 Y HA 0.757 5.296 4.550 -0.019 0.000 0.340 1155 Y C 0.695 176.643 175.900 0.079 0.000 1.038 1155 Y CA -0.940 57.212 58.100 0.087 0.000 1.100 1155 Y CB 2.527 40.965 38.460 -0.036 0.000 1.281 1155 Y HN 0.904 nan 8.280 nan 0.000 0.488 1156 G N -0.160 108.799 108.800 0.265 0.000 2.547 1156 G HA2 0.568 4.516 3.960 -0.019 0.000 0.291 1156 G HA3 0.568 4.516 3.960 -0.019 0.000 0.291 1156 G C -2.433 172.586 174.900 0.199 0.000 1.471 1156 G CA -0.705 44.510 45.100 0.191 0.000 0.798 1156 G HN 0.489 nan 8.290 nan 0.000 0.504 1157 V N -0.352 119.657 119.914 0.157 0.000 2.808 1157 V HA 0.857 4.965 4.120 -0.019 0.000 0.308 1157 V C -0.118 176.021 176.094 0.074 0.000 1.099 1157 V CA -0.282 62.113 62.300 0.158 0.000 0.920 1157 V CB 1.687 33.613 31.823 0.171 0.000 1.014 1157 V HN 1.734 nan 8.190 nan 0.000 0.425 1158 A N 2.534 125.394 122.820 0.068 0.000 2.393 1158 A HA 0.797 5.105 4.320 -0.019 0.000 0.306 1158 A C -0.880 176.697 177.584 -0.011 0.000 1.050 1158 A CA -0.469 51.584 52.037 0.028 0.000 0.724 1158 A CB 1.686 20.755 19.000 0.116 0.000 1.248 1158 A HN 1.125 nan 8.150 nan 0.000 0.424 1159 C N 1.925 121.198 119.300 -0.045 0.000 2.345 1159 C HA 0.862 5.310 4.460 -0.019 0.000 0.323 1159 C C -0.041 174.955 174.990 0.010 0.000 1.276 1159 C CA -0.043 58.956 59.018 -0.033 0.000 1.543 1159 C CB 0.150 27.852 27.740 -0.064 0.000 2.211 1159 C HN 0.845 nan 8.230 nan 0.000 0.493 1160 S N 3.471 119.200 115.700 0.049 0.000 2.548 1160 S HA 0.594 5.052 4.470 -0.019 0.000 0.286 1160 S C -1.347 173.269 174.600 0.026 0.000 1.098 1160 S CA -0.459 57.770 58.200 0.049 0.000 0.930 1160 S CB 1.718 64.988 63.200 0.117 0.000 1.070 1160 S HN 0.879 nan 8.310 nan 0.000 0.480 1161 E N 1.674 121.872 120.200 -0.003 0.000 2.234 1161 E HA 0.660 4.998 4.350 -0.019 0.000 0.266 1161 E C -1.257 175.321 176.600 -0.037 0.000 0.877 1161 E CA -0.799 55.580 56.400 -0.035 0.000 0.758 1161 E CB 1.421 31.082 29.700 -0.064 0.000 1.170 1161 E HN 0.498 nan 8.360 nan 0.000 0.415 1162 V N 0.488 120.372 119.914 -0.049 0.000 3.040 1162 V HA 0.661 4.770 4.120 -0.019 0.000 0.312 1162 V C -0.822 175.228 176.094 -0.075 0.000 1.115 1162 V CA -0.855 61.430 62.300 -0.026 0.000 0.998 1162 V CB 1.859 33.674 31.823 -0.013 0.000 1.042 1162 V HN 0.804 nan 8.190 nan 0.000 0.433 1163 E N 2.169 122.340 120.200 -0.049 0.000 2.199 1163 E HA 0.619 4.958 4.350 -0.019 0.000 0.265 1163 E C -0.944 175.676 176.600 0.035 0.000 0.882 1163 E CA -0.939 55.414 56.400 -0.078 0.000 0.759 1163 E CB 2.062 31.660 29.700 -0.170 0.000 1.148 1163 E HN 0.925 nan 8.360 nan 0.000 0.412 1164 I N 0.666 121.268 120.570 0.054 0.000 2.566 1164 I HA 0.489 4.647 4.170 -0.019 0.000 0.303 1164 I C -0.279 175.904 176.117 0.110 0.000 0.983 1164 I CA -0.755 60.600 61.300 0.092 0.000 1.235 1164 I CB 1.570 39.604 38.000 0.057 0.000 1.386 1164 I HN 0.356 nan 8.210 nan 0.000 0.494 1165 D N 5.036 125.497 120.400 0.101 0.000 2.428 1165 D HA 0.243 4.872 4.640 -0.019 0.000 0.221 1165 D C 0.685 177.053 176.300 0.113 0.000 1.123 1165 D CA -0.467 53.598 54.000 0.107 0.000 0.869 1165 D CB 1.347 42.185 40.800 0.063 0.000 1.032 1165 D HN 0.760 nan 8.370 nan 0.000 0.506 1166 C N 3.336 122.740 119.300 0.174 0.000 2.422 1166 C HA -0.057 4.392 4.460 -0.019 0.000 0.286 1166 C C 2.566 177.664 174.990 0.181 0.000 1.412 1166 C CA 0.054 59.194 59.018 0.203 0.000 1.786 1166 C CB -0.892 27.029 27.740 0.302 0.000 1.835 1166 C HN 0.663 nan 8.230 nan 0.000 0.533 1167 L N 0.823 122.112 121.223 0.109 0.000 2.375 1167 L HA -0.012 4.317 4.340 -0.019 0.000 0.215 1167 L C 2.582 179.395 176.870 -0.094 0.000 1.108 1167 L CA 1.737 56.538 54.840 -0.064 0.000 0.830 1167 L CB -0.316 41.605 42.059 -0.230 0.000 0.959 1167 L HN 0.565 nan 8.230 nan 0.000 0.457 1168 T N -6.302 108.230 114.554 -0.037 0.000 2.954 1168 T HA 0.284 4.622 4.350 -0.019 0.000 0.252 1168 T C 1.439 176.131 174.700 -0.012 0.000 0.983 1168 T CA 0.583 62.656 62.100 -0.045 0.000 0.941 1168 T CB 1.110 69.950 68.868 -0.047 0.000 1.141 1168 T HN 0.264 nan 8.240 nan 0.000 0.500 1169 G N 1.405 110.215 108.800 0.018 0.000 2.217 1169 G HA2 -0.216 3.732 3.960 -0.019 0.000 0.246 1169 G HA3 -0.216 3.732 3.960 -0.019 0.000 0.246 1169 G C -0.154 174.778 174.900 0.053 0.000 0.990 1169 G CA 0.130 45.249 45.100 0.031 0.000 0.627 1169 G HN 0.701 nan 8.290 nan 0.000 0.522 1170 D N 1.499 121.920 120.400 0.034 0.000 2.382 1170 D HA 0.451 5.079 4.640 -0.019 0.000 0.240 1170 D C 0.677 177.027 176.300 0.082 0.000 1.146 1170 D CA 0.663 54.677 54.000 0.024 0.000 0.897 1170 D CB 0.277 41.064 40.800 -0.022 0.000 1.197 1170 D HN 0.676 nan 8.370 nan 0.000 0.432 1171 H N -0.586 118.462 119.070 -0.036 0.000 3.008 1171 H HA 0.571 5.115 4.556 -0.020 0.000 0.354 1171 H C -1.483 173.818 175.328 -0.046 0.000 1.252 1171 H CA -1.032 54.993 56.048 -0.039 0.000 1.117 1171 H CB 1.320 31.052 29.762 -0.051 0.000 1.857 1171 H HN 0.124 nan 8.280 nan 0.000 0.547 1172 K N 1.488 121.859 120.400 -0.047 0.000 2.345 1172 K HA 0.283 4.592 4.320 -0.019 0.000 0.255 1172 K C -1.190 175.422 176.600 0.021 0.000 0.934 1172 K CA -0.613 55.612 56.287 -0.102 0.000 0.801 1172 K CB 1.078 33.537 32.500 -0.068 0.000 1.137 1172 K HN 0.603 nan 8.250 nan 0.000 0.424 1173 N N 5.441 124.134 118.700 -0.011 0.000 2.401 1173 N HA 0.169 4.897 4.740 -0.019 0.000 0.255 1173 N C 0.337 175.831 175.510 -0.028 0.000 1.110 1173 N CA 0.001 53.062 53.050 0.019 0.000 0.949 1173 N CB 0.778 39.267 38.487 0.002 0.000 1.110 1173 N HN 0.582 nan 8.380 nan 0.000 0.490 1174 L N 1.381 122.585 121.223 -0.031 0.000 2.221 1174 L HA 0.224 4.552 4.340 -0.019 0.000 0.202 1174 L C 0.972 177.818 176.870 -0.040 0.000 1.074 1174 L CA 0.566 55.378 54.840 -0.048 0.000 0.795 1174 L CB 0.195 42.208 42.059 -0.077 0.000 0.960 1174 L HN 0.399 nan 8.230 nan 0.000 0.458 1175 R N -0.907 119.570 120.500 -0.039 0.000 2.579 1175 R HA 0.368 4.696 4.340 -0.019 0.000 0.260 1175 R C -1.700 174.578 176.300 -0.038 0.000 1.103 1175 R CA -0.258 55.823 56.100 -0.032 0.000 0.942 1175 R CB 1.977 32.259 30.300 -0.030 0.000 1.251 1175 R HN -0.221 nan 8.270 nan 0.000 0.450 1176 T N 2.567 117.093 114.554 -0.048 0.000 2.916 1176 T HA 0.379 4.718 4.350 -0.019 0.000 0.298 1176 T C -1.684 172.991 174.700 -0.041 0.000 1.031 1176 T CA -0.606 61.443 62.100 -0.084 0.000 0.993 1176 T CB 1.650 70.357 68.868 -0.269 0.000 1.045 1176 T HN 0.530 nan 8.240 nan 0.000 0.454 1177 D N 1.802 122.164 120.400 -0.063 0.000 2.505 1177 D HA 0.647 5.275 4.640 -0.019 0.000 0.249 1177 D C -0.649 175.601 176.300 -0.084 0.000 1.082 1177 D CA -0.329 53.636 54.000 -0.057 0.000 0.839 1177 D CB 1.596 42.364 40.800 -0.054 0.000 1.317 1177 D HN 0.345 nan 8.370 nan 0.000 0.497 1178 I N 1.557 122.078 120.570 -0.081 0.000 2.545 1178 I HA 0.469 4.628 4.170 -0.019 0.000 0.292 1178 I C -0.949 175.145 176.117 -0.038 0.000 1.040 1178 I CA -1.105 60.156 61.300 -0.065 0.000 1.068 1178 I CB 2.183 40.132 38.000 -0.086 0.000 1.251 1178 I HN 0.018 nan 8.210 nan 0.000 0.424 1179 V N 6.167 126.076 119.914 -0.009 0.000 2.444 1179 V HA 0.493 4.601 4.120 -0.019 0.000 0.294 1179 V C -0.464 175.655 176.094 0.041 0.000 1.022 1179 V CA -0.445 61.858 62.300 0.006 0.000 0.850 1179 V CB 1.780 33.605 31.823 0.002 0.000 0.992 1179 V HN 0.650 nan 8.190 nan 0.000 0.426 1180 M N 3.947 123.572 119.600 0.041 0.000 2.321 1180 M HA 0.513 4.981 4.480 -0.019 0.000 0.315 1180 M C -0.879 175.463 176.300 0.070 0.000 1.052 1180 M CA -0.416 54.925 55.300 0.068 0.000 0.936 1180 M CB 1.765 34.398 32.600 0.056 0.000 1.639 1180 M HN 0.650 nan 8.290 nan 0.000 0.433 1181 D N 3.687 124.151 120.400 0.107 0.000 2.411 1181 D HA 0.292 4.921 4.640 -0.019 0.000 0.225 1181 D C -0.009 176.351 176.300 0.100 0.000 1.156 1181 D CA -0.179 53.889 54.000 0.113 0.000 0.874 1181 D CB 0.608 41.524 40.800 0.194 0.000 1.034 1181 D HN 0.422 nan 8.370 nan 0.000 0.502 1182 V N 2.102 122.055 119.914 0.064 0.000 2.940 1182 V HA 0.598 4.707 4.120 -0.019 0.000 0.366 1182 V C 1.170 177.281 176.094 0.029 0.000 1.353 1182 V CA 0.194 62.526 62.300 0.053 0.000 1.232 1182 V CB -0.276 31.571 31.823 0.040 0.000 1.278 1182 V HN 0.622 nan 8.190 nan 0.000 0.546 1183 G N 1.643 110.457 108.800 0.024 0.000 2.594 1183 G HA2 -0.269 3.679 3.960 -0.019 0.000 0.297 1183 G HA3 -0.269 3.679 3.960 -0.019 0.000 0.297 1183 G C 0.119 175.017 174.900 -0.004 0.000 1.273 1183 G CA 0.183 45.278 45.100 -0.009 0.000 0.974 1183 G HN 1.044 nan 8.290 nan 0.000 0.552 1184 S N 0.378 116.070 115.700 -0.014 0.000 2.409 1184 S HA 0.523 4.981 4.470 -0.019 0.000 0.308 1184 S C 0.502 175.102 174.600 -0.001 0.000 1.080 1184 S CA 0.548 58.745 58.200 -0.006 0.000 1.081 1184 S CB 1.227 64.424 63.200 -0.005 0.000 1.009 1184 S HN 1.059 nan 8.310 nan 0.000 0.502 1185 S N 3.008 118.708 115.700 0.000 0.000 2.552 1185 S HA 0.111 4.570 4.470 -0.019 0.000 0.289 1185 S C 1.370 175.970 174.600 -0.000 0.000 1.304 1185 S CA -0.478 57.723 58.200 0.003 0.000 1.063 1185 S CB 0.039 63.239 63.200 0.000 0.000 0.848 1185 S HN 0.653 nan 8.310 nan 0.000 0.499 1186 L N 3.450 124.677 121.223 0.007 0.000 2.217 1186 L HA 0.101 4.430 4.340 -0.019 0.000 0.211 1186 L C 1.107 177.970 176.870 -0.011 0.000 1.107 1186 L CA 0.537 55.379 54.840 0.004 0.000 0.783 1186 L CB -0.207 41.866 42.059 0.024 0.000 0.919 1186 L HN 0.602 nan 8.230 nan 0.000 0.442 1187 N N -1.146 117.550 118.700 -0.006 0.000 2.932 1187 N HA 0.115 4.844 4.740 -0.019 0.000 0.242 1187 N C -2.365 173.143 175.510 -0.003 0.000 1.351 1187 N CA -0.947 52.099 53.050 -0.008 0.000 0.785 1187 N CB 1.371 39.854 38.487 -0.006 0.000 1.501 1187 N HN -0.287 nan 8.380 nan 0.000 0.584 1188 P HA -0.042 nan 4.420 nan 0.000 0.219 1188 P C 1.066 178.361 177.300 -0.008 0.000 1.146 1188 P CA 1.078 64.173 63.100 -0.008 0.000 0.808 1188 P CB 0.383 32.075 31.700 -0.013 0.000 0.779 1189 A N -0.519 122.299 122.820 -0.004 0.000 1.897 1189 A HA -0.143 4.166 4.320 -0.019 0.000 0.215 1189 A C 2.003 179.594 177.584 0.011 0.000 1.181 1189 A CA 1.364 53.401 52.037 -0.000 0.000 0.620 1189 A CB -1.391 17.613 19.000 0.007 0.000 0.821 1189 A HN 0.012 nan 8.150 nan 0.000 0.443 1190 I N 1.015 121.598 120.570 0.020 0.000 2.179 1190 I HA -0.178 3.981 4.170 -0.019 0.000 0.242 1190 I C 1.741 177.874 176.117 0.027 0.000 1.088 1190 I CA 1.283 62.603 61.300 0.035 0.000 1.357 1190 I CB -1.375 36.643 38.000 0.031 0.000 1.051 1190 I HN 0.253 nan 8.210 nan 0.000 0.409 1191 D N 0.467 120.877 120.400 0.015 0.000 2.117 1191 D HA -0.103 4.525 4.640 -0.019 0.000 0.198 1191 D C 2.444 178.748 176.300 0.006 0.000 0.982 1191 D CA 1.075 55.084 54.000 0.015 0.000 0.828 1191 D CB -0.163 40.644 40.800 0.012 0.000 0.967 1191 D HN 0.297 nan 8.370 nan 0.000 0.464 1192 I N 1.012 121.576 120.570 -0.011 0.000 2.226 1192 I HA -0.180 3.978 4.170 -0.019 0.000 0.245 1192 I C 2.521 178.614 176.117 -0.040 0.000 1.100 1192 I CA 1.290 62.567 61.300 -0.039 0.000 1.374 1192 I CB -0.447 37.518 38.000 -0.058 0.000 1.057 1192 I HN 0.026 nan 8.210 nan 0.000 0.413 1193 G N 0.056 108.847 108.800 -0.014 0.000 2.469 1193 G HA2 -0.260 3.689 3.960 -0.019 0.000 0.219 1193 G HA3 -0.260 3.689 3.960 -0.019 0.000 0.219 1193 G C 1.570 176.495 174.900 0.042 0.000 1.150 1193 G CA 0.497 45.602 45.100 0.009 0.000 0.763 1193 G HN 0.310 nan 8.290 nan 0.000 0.561 1194 Q N 0.073 119.903 119.800 0.050 0.000 2.079 1194 Q HA -0.042 4.287 4.340 -0.019 0.000 0.200 1194 Q C 3.028 179.077 176.000 0.082 0.000 0.974 1194 Q CA 1.103 56.950 55.803 0.074 0.000 0.840 1194 Q CB -0.702 28.070 28.738 0.058 0.000 0.898 1194 Q HN 0.426 nan 8.270 nan 0.000 0.430 1195 V N 1.609 121.557 119.914 0.057 0.000 2.255 1195 V HA -0.267 3.842 4.120 -0.019 0.000 0.247 1195 V C 2.164 178.340 176.094 0.137 0.000 1.051 1195 V CA 2.058 64.407 62.300 0.080 0.000 1.018 1195 V CB -0.622 31.220 31.823 0.031 0.000 0.641 1195 V HN 0.387 nan 8.190 nan 0.000 0.445 1196 E N 0.401 120.635 120.200 0.058 0.000 2.085 1196 E HA -0.174 4.164 4.350 -0.019 0.000 0.194 1196 E C 2.328 179.090 176.600 0.270 0.000 0.994 1196 E CA 1.359 57.828 56.400 0.115 0.000 0.801 1196 E CB -0.542 29.064 29.700 -0.157 0.000 0.743 1196 E HN 0.651 nan 8.360 nan 0.000 0.453 1197 G N 1.016 109.917 108.800 0.169 0.000 2.402 1197 G HA2 -0.204 3.744 3.960 -0.019 0.000 0.216 1197 G HA3 -0.204 3.744 3.960 -0.019 0.000 0.216 1197 G C 1.681 176.677 174.900 0.160 0.000 1.162 1197 G CA 0.800 45.996 45.100 0.161 0.000 0.777 1197 G HN 0.342 nan 8.290 nan 0.000 0.539 1198 A N 0.496 123.419 122.820 0.173 0.000 1.873 1198 A HA 0.108 4.417 4.320 -0.019 0.000 0.215 1198 A C 2.157 179.833 177.584 0.154 0.000 1.186 1198 A CA 1.483 53.606 52.037 0.143 0.000 0.616 1198 A CB -0.622 18.452 19.000 0.123 0.000 0.823 1198 A HN 0.379 nan 8.150 nan 0.000 0.442 1199 F N 0.956 120.964 119.950 0.098 0.000 2.091 1199 F HA -0.218 4.296 4.527 -0.021 0.000 0.299 1199 F C 2.197 178.032 175.800 0.057 0.000 1.103 1199 F CA 2.213 60.275 58.000 0.104 0.000 1.228 1199 F CB -0.315 38.801 39.000 0.193 0.000 0.984 1199 F HN 0.032 nan 8.300 nan 0.000 0.477 1200 V N 0.339 120.359 119.914 0.177 0.000 2.407 1200 V HA -0.306 3.802 4.120 -0.019 0.000 0.248 1200 V C 2.307 178.314 176.094 -0.145 0.000 1.055 1200 V CA 2.118 64.411 62.300 -0.011 0.000 1.049 1200 V CB -0.778 31.112 31.823 0.113 0.000 0.662 1200 V HN 0.427 nan 8.190 nan 0.000 0.455 1201 Q N -0.092 119.641 119.800 -0.110 0.000 2.170 1201 Q HA -0.150 4.179 4.340 -0.019 0.000 0.203 1201 Q C 2.352 178.193 176.000 -0.264 0.000 0.976 1201 Q CA 1.668 57.373 55.803 -0.163 0.000 0.858 1201 Q CB -0.407 28.274 28.738 -0.096 0.000 0.907 1201 Q HN 0.738 nan 8.270 nan 0.000 0.433 1202 G N 1.133 109.773 108.800 -0.267 0.000 2.394 1202 G HA2 -0.208 3.741 3.960 -0.019 0.000 0.215 1202 G HA3 -0.208 3.741 3.960 -0.019 0.000 0.215 1202 G C 1.419 176.146 174.900 -0.288 0.000 1.165 1202 G CA 0.646 45.557 45.100 -0.315 0.000 0.784 1202 G HN 0.327 nan 8.290 nan 0.000 0.535 1203 L N 2.026 123.004 121.223 -0.408 0.000 2.043 1203 L HA 0.067 4.396 4.340 -0.019 0.000 0.212 1203 L C 2.429 179.169 176.870 -0.218 0.000 1.075 1203 L CA 2.589 57.233 54.840 -0.326 0.000 0.752 1203 L CB -1.344 40.442 42.059 -0.455 0.000 0.891 1203 L HN 0.131 nan 8.230 nan 0.000 0.432 1204 G N -0.023 108.622 108.800 -0.259 0.000 2.433 1204 G HA2 -0.284 3.665 3.960 -0.019 0.000 0.216 1204 G HA3 -0.284 3.665 3.960 -0.019 0.000 0.216 1204 G C 1.597 176.307 174.900 -0.318 0.000 1.186 1204 G CA 0.990 45.933 45.100 -0.263 0.000 0.779 1204 G HN 0.491 nan 8.290 nan 0.000 0.543 1205 L N -0.030 120.917 121.223 -0.460 0.000 2.021 1205 L HA -0.056 4.272 4.340 -0.019 0.000 0.215 1205 L C 2.504 179.012 176.870 -0.604 0.000 1.074 1205 L CA 1.882 56.327 54.840 -0.659 0.000 0.760 1205 L CB -0.686 40.738 42.059 -1.059 0.000 0.889 1205 L HN 0.278 nan 8.230 nan 0.000 0.433 1206 F N -1.592 118.198 119.950 -0.266 0.000 2.664 1206 F HA -0.003 4.514 4.527 -0.017 0.000 0.296 1206 F C 2.044 177.820 175.800 -0.040 0.000 1.125 1206 F CA 0.803 58.669 58.000 -0.223 0.000 1.444 1206 F CB -0.243 38.623 39.000 -0.224 0.000 1.114 1206 F HN 0.339 nan 8.300 nan 0.000 0.576 1207 T N -4.492 110.094 114.554 0.053 0.000 3.115 1207 T HA 0.146 4.484 4.350 -0.019 0.000 0.256 1207 T C 1.291 175.984 174.700 -0.011 0.000 0.970 1207 T CA 0.145 62.268 62.100 0.039 0.000 1.010 1207 T CB -0.212 68.686 68.868 0.050 0.000 1.151 1207 T HN -0.032 nan 8.240 nan 0.000 0.479 1208 L N 1.099 122.267 121.223 -0.093 0.000 2.362 1208 L HA 0.530 4.859 4.340 -0.019 0.000 0.204 1208 L C 0.592 177.318 176.870 -0.240 0.000 1.060 1208 L CA 0.738 55.490 54.840 -0.148 0.000 0.827 1208 L CB -0.383 41.560 42.059 -0.193 0.000 1.027 1208 L HN 0.367 nan 8.230 nan 0.000 0.474 1209 E N 0.827 120.848 120.200 -0.299 0.000 2.200 1209 E HA 0.295 4.633 4.350 -0.019 0.000 0.283 1209 E C -0.356 176.126 176.600 -0.197 0.000 1.015 1209 E CA -0.050 56.063 56.400 -0.479 0.000 0.819 1209 E CB 1.077 30.485 29.700 -0.486 0.000 1.081 1209 E HN 0.064 nan 8.360 nan 0.000 0.397 1210 E N 4.392 124.530 120.200 -0.104 0.000 2.281 1210 E HA 0.233 4.572 4.350 -0.019 0.000 0.266 1210 E C -1.335 175.435 176.600 0.283 0.000 0.893 1210 E CA -0.476 55.988 56.400 0.108 0.000 0.798 1210 E CB 0.950 30.677 29.700 0.046 0.000 1.245 1210 E HN 0.402 nan 8.360 nan 0.000 0.410 1211 L N 3.549 124.951 121.223 0.298 0.000 2.334 1211 L HA 0.473 4.801 4.340 -0.019 0.000 0.277 1211 L C -0.289 176.677 176.870 0.160 0.000 1.075 1211 L CA -0.687 54.259 54.840 0.176 0.000 0.804 1211 L CB 0.981 43.088 42.059 0.081 0.000 1.174 1211 L HN 0.569 nan 8.230 nan 0.000 0.438 1212 H N 1.751 120.720 119.070 -0.167 0.000 2.856 1212 H HA 0.507 5.052 4.556 -0.019 0.000 0.355 1212 H C -1.746 173.459 175.328 -0.206 0.000 1.079 1212 H CA -0.608 55.428 56.048 -0.020 0.000 1.240 1212 H CB 1.078 30.903 29.762 0.105 0.000 1.701 1212 H HN 0.301 nan 8.280 nan 0.000 0.527 1213 Y N 1.765 121.915 120.300 -0.249 0.000 2.485 1213 Y HA 0.359 4.897 4.550 -0.020 0.000 0.345 1213 Y C 0.608 176.233 175.900 -0.457 0.000 0.998 1213 Y CA -0.690 57.200 58.100 -0.350 0.000 1.059 1213 Y CB 1.855 40.221 38.460 -0.156 0.000 1.234 1213 Y HN 0.752 nan 8.280 nan 0.000 0.461 1214 S N 1.585 117.018 115.700 -0.446 0.000 2.576 1214 S HA 0.104 4.562 4.470 -0.019 0.000 0.272 1214 S C -1.948 172.635 174.600 -0.028 0.000 1.352 1214 S CA -0.821 57.282 58.200 -0.162 0.000 1.021 1214 S CB 0.870 63.946 63.200 -0.207 0.000 0.887 1214 S HN 0.508 nan 8.310 nan 0.000 0.542 1215 P HA -0.073 nan 4.420 nan 0.000 0.219 1215 P C 0.712 178.007 177.300 -0.009 0.000 1.146 1215 P CA 1.212 64.321 63.100 0.015 0.000 0.808 1215 P CB -0.056 31.660 31.700 0.028 0.000 0.779 1216 E N -1.386 118.804 120.200 -0.017 0.000 2.512 1216 E HA 0.140 4.479 4.350 -0.019 0.000 0.195 1216 E C 1.032 177.610 176.600 -0.037 0.000 1.083 1216 E CA 0.425 56.808 56.400 -0.027 0.000 0.873 1216 E CB -0.506 29.177 29.700 -0.028 0.000 0.897 1216 E HN 0.203 nan 8.360 nan 0.000 0.514 1217 G N 1.788 110.566 108.800 -0.037 0.000 2.132 1217 G HA2 -0.266 3.683 3.960 -0.019 0.000 0.234 1217 G HA3 -0.266 3.683 3.960 -0.019 0.000 0.234 1217 G C 0.202 175.122 174.900 0.032 0.000 0.989 1217 G CA 0.411 45.492 45.100 -0.032 0.000 0.676 1217 G HN 0.248 nan 8.290 nan 0.000 0.522 1218 S N -0.149 115.534 115.700 -0.027 0.000 2.438 1218 S HA 0.608 5.066 4.470 -0.019 0.000 0.293 1218 S C 0.423 174.914 174.600 -0.182 0.000 1.141 1218 S CA -0.666 57.492 58.200 -0.070 0.000 1.080 1218 S CB 0.768 63.890 63.200 -0.130 0.000 0.978 1218 S HN 1.018 nan 8.310 nan 0.000 0.479 1219 L N 6.762 127.933 121.223 -0.087 0.000 2.534 1219 L HA 0.187 4.516 4.340 -0.019 0.000 0.271 1219 L C 1.178 177.884 176.870 -0.272 0.000 1.178 1219 L CA 0.858 55.508 54.840 -0.318 0.000 0.907 1219 L CB 0.204 42.127 42.059 -0.227 0.000 1.164 1219 L HN 0.795 nan 8.230 nan 0.000 0.482 1220 H N 1.782 120.734 119.070 -0.197 0.000 2.465 1220 H HA 0.083 4.627 4.556 -0.019 0.000 0.289 1220 H C 0.324 175.638 175.328 -0.023 0.000 1.022 1220 H CA 1.074 57.076 56.048 -0.077 0.000 1.340 1220 H CB 0.003 29.742 29.762 -0.038 0.000 1.437 1220 H HN 0.663 nan 8.280 nan 0.000 0.539 1221 T N 0.102 114.699 114.554 0.071 0.000 2.891 1221 T HA 0.443 4.782 4.350 -0.019 0.000 0.315 1221 T C 0.678 175.401 174.700 0.039 0.000 1.054 1221 T CA -0.691 61.470 62.100 0.103 0.000 0.958 1221 T CB 0.489 69.457 68.868 0.166 0.000 1.008 1221 T HN 0.201 nan 8.240 nan 0.000 0.521 1222 R N 1.916 122.462 120.500 0.076 0.000 2.659 1222 R HA 0.488 4.816 4.340 -0.019 0.000 0.418 1222 R C 0.599 176.965 176.300 0.110 0.000 1.076 1222 R CA -0.657 55.478 56.100 0.057 0.000 1.093 1222 R CB 1.247 31.575 30.300 0.047 0.000 1.400 1222 R HN 0.796 nan 8.270 nan 0.000 0.583 1223 G N 0.402 109.314 108.800 0.187 0.000 2.506 1223 G HA2 0.177 4.125 3.960 -0.019 0.000 0.292 1223 G HA3 0.177 4.125 3.960 -0.019 0.000 0.292 1223 G C -2.612 172.482 174.900 0.324 0.000 1.425 1223 G CA -0.803 44.447 45.100 0.249 0.000 0.788 1223 G HN -0.289 nan 8.290 nan 0.000 0.490 1224 P HA -0.058 nan 4.420 nan 0.000 0.228 1224 P C 1.748 179.106 177.300 0.096 0.000 1.151 1224 P CA 1.703 64.916 63.100 0.190 0.000 0.770 1224 P CB 0.157 31.972 31.700 0.191 0.000 0.786 1225 S N -0.769 114.996 115.700 0.108 0.000 2.428 1225 S HA -0.058 4.401 4.470 -0.019 0.000 0.230 1225 S C 1.681 176.316 174.600 0.059 0.000 1.014 1225 S CA 1.545 59.784 58.200 0.066 0.000 0.957 1225 S CB -1.490 61.748 63.200 0.063 0.000 0.784 1225 S HN 0.331 nan 8.310 nan 0.000 0.499 1226 T N -3.401 111.212 114.554 0.099 0.000 3.043 1226 T HA 0.316 4.655 4.350 -0.019 0.000 0.272 1226 T C -0.368 174.424 174.700 0.153 0.000 0.990 1226 T CA -0.498 61.663 62.100 0.102 0.000 0.897 1226 T CB -0.258 68.682 68.868 0.119 0.000 1.111 1226 T HN 0.365 nan 8.240 nan 0.000 0.529 1227 Y N 2.254 122.561 120.300 0.011 0.000 2.326 1227 Y HA 0.587 5.126 4.550 -0.018 0.000 0.329 1227 Y C -1.346 174.484 175.900 -0.117 0.000 0.973 1227 Y CA -1.418 56.670 58.100 -0.021 0.000 1.162 1227 Y CB 1.287 39.775 38.460 0.047 0.000 1.147 1227 Y HN -0.185 nan 8.280 nan 0.000 0.456 1228 K N 8.588 128.655 120.400 -0.556 0.000 2.334 1228 K HA 0.349 4.658 4.320 -0.019 0.000 0.265 1228 K C -0.339 175.932 176.600 -0.548 0.000 1.039 1228 K CA -0.434 55.596 56.287 -0.427 0.000 0.920 1228 K CB 0.871 33.213 32.500 -0.263 0.000 1.160 1228 K HN 0.849 nan 8.250 nan 0.000 0.451 1229 I N -0.557 119.703 120.570 -0.516 0.000 2.834 1229 I HA 0.472 4.630 4.170 -0.019 0.000 0.305 1229 I C -2.102 173.838 176.117 -0.294 0.000 1.008 1229 I CA -2.538 58.503 61.300 -0.432 0.000 1.273 1229 I CB 0.389 38.117 38.000 -0.453 0.000 1.432 1229 I HN 0.185 nan 8.210 nan 0.000 0.557 1230 P HA 0.147 nan 4.420 nan 0.000 0.266 1230 P C -0.824 176.385 177.300 -0.151 0.000 1.195 1230 P CA 0.069 63.064 63.100 -0.175 0.000 0.768 1230 P CB 0.630 32.239 31.700 -0.151 0.000 0.838 1231 A N 2.032 124.787 122.820 -0.107 0.000 2.282 1231 A HA 0.496 4.804 4.320 -0.019 0.000 0.324 1231 A C 0.730 178.309 177.584 -0.008 0.000 1.119 1231 A CA -0.522 51.491 52.037 -0.041 0.000 0.880 1231 A CB 0.001 19.002 19.000 0.001 0.000 1.294 1231 A HN 0.430 nan 8.150 nan 0.000 0.493 1232 F N 0.615 120.554 119.950 -0.018 0.000 2.091 1232 F HA -0.122 4.393 4.527 -0.020 0.000 0.299 1232 F C 2.538 178.333 175.800 -0.008 0.000 1.103 1232 F CA 2.534 60.536 58.000 0.002 0.000 1.228 1232 F CB -0.348 38.656 39.000 0.006 0.000 0.984 1232 F HN 0.643 nan 8.300 nan 0.000 0.477 1233 G N -1.844 107.061 108.800 0.174 0.000 2.776 1233 G HA2 -0.095 3.853 3.960 -0.019 0.000 0.209 1233 G HA3 -0.095 3.853 3.960 -0.019 0.000 0.209 1233 G C 1.474 176.371 174.900 -0.004 0.000 1.145 1233 G CA 0.826 45.965 45.100 0.065 0.000 0.791 1233 G HN 0.341 nan 8.290 nan 0.000 0.530 1234 S N -0.147 115.539 115.700 -0.023 0.000 2.503 1234 S HA 0.192 4.650 4.470 -0.019 0.000 0.217 1234 S C 1.062 175.614 174.600 -0.080 0.000 0.999 1234 S CA -0.297 57.856 58.200 -0.078 0.000 0.914 1234 S CB -0.011 63.131 63.200 -0.098 0.000 0.782 1234 S HN 0.594 nan 8.310 nan 0.000 0.520 1235 I N -0.105 120.432 120.570 -0.055 0.000 2.713 1235 I HA 0.464 4.622 4.170 -0.019 0.000 0.300 1235 I C -2.974 173.073 176.117 -0.118 0.000 1.009 1235 I CA -2.803 58.434 61.300 -0.104 0.000 1.305 1235 I CB -0.103 37.884 38.000 -0.023 0.000 1.430 1235 I HN -0.249 nan 8.210 nan 0.000 0.546 1236 P HA 0.074 nan 4.420 nan 0.000 0.266 1236 P C 0.400 177.672 177.300 -0.046 0.000 1.195 1236 P CA 0.013 63.022 63.100 -0.152 0.000 0.768 1236 P CB 0.628 32.172 31.700 -0.259 0.000 0.838 1237 T N 1.011 115.554 114.554 -0.018 0.000 2.720 1237 T HA -0.149 4.189 4.350 -0.019 0.000 0.268 1237 T C 0.350 175.078 174.700 0.047 0.000 1.037 1237 T CA 1.495 63.605 62.100 0.016 0.000 1.144 1237 T CB -0.279 68.588 68.868 -0.000 0.000 0.864 1237 T HN 0.515 nan 8.240 nan 0.000 0.444 1238 E N 0.242 120.466 120.200 0.040 0.000 2.129 1238 E HA 0.425 4.763 4.350 -0.019 0.000 0.268 1238 E C -1.456 175.219 176.600 0.125 0.000 0.900 1238 E CA -0.299 56.141 56.400 0.066 0.000 0.755 1238 E CB 1.244 30.961 29.700 0.028 0.000 1.117 1238 E HN 0.347 nan 8.360 nan 0.000 0.410 1239 F N 4.480 124.400 119.950 -0.050 0.000 2.513 1239 F HA 0.431 4.947 4.527 -0.018 0.000 0.358 1239 F C -0.647 175.097 175.800 -0.093 0.000 1.118 1239 F CA -0.912 57.037 58.000 -0.085 0.000 1.037 1239 F CB 0.622 39.587 39.000 -0.058 0.000 1.276 1239 F HN 0.277 nan 8.300 nan 0.000 0.446 1240 R N 5.097 125.662 120.500 0.109 0.000 2.494 1240 R HA 0.697 5.025 4.340 -0.019 0.000 0.305 1240 R C -1.530 174.709 176.300 -0.102 0.000 0.959 1240 R CA -1.006 55.065 56.100 -0.047 0.000 0.864 1240 R CB 2.856 33.142 30.300 -0.024 0.000 1.159 1240 R HN 0.316 nan 8.270 nan 0.000 0.446 1241 V N 1.677 121.496 119.914 -0.158 0.000 2.638 1241 V HA 0.450 4.558 4.120 -0.019 0.000 0.306 1241 V C -0.551 175.487 176.094 -0.094 0.000 1.052 1241 V CA -0.672 61.542 62.300 -0.142 0.000 0.885 1241 V CB 2.254 33.952 31.823 -0.207 0.000 0.999 1241 V HN 0.788 nan 8.190 nan 0.000 0.424 1242 S N 4.637 120.301 115.700 -0.061 0.000 2.536 1242 S HA 0.725 5.184 4.470 -0.019 0.000 0.287 1242 S C -0.781 173.806 174.600 -0.022 0.000 1.101 1242 S CA -0.623 57.553 58.200 -0.039 0.000 0.950 1242 S CB 1.671 64.853 63.200 -0.030 0.000 1.056 1242 S HN 0.525 nan 8.310 nan 0.000 0.481 1243 L N 2.675 123.889 121.223 -0.015 0.000 2.307 1243 L HA 0.475 4.804 4.340 -0.019 0.000 0.282 1243 L C -0.211 176.662 176.870 0.005 0.000 1.051 1243 L CA -0.954 53.887 54.840 0.000 0.000 0.804 1243 L CB 0.825 42.884 42.059 -0.001 0.000 1.197 1243 L HN 0.493 nan 8.230 nan 0.000 0.431 1244 L N 3.979 125.213 121.223 0.017 0.000 2.490 1244 L HA 0.113 4.442 4.340 -0.019 0.000 0.274 1244 L C 0.337 177.215 176.870 0.013 0.000 1.201 1244 L CA 0.643 55.494 54.840 0.018 0.000 0.869 1244 L CB 0.183 42.261 42.059 0.032 0.000 1.123 1244 L HN 0.503 nan 8.230 nan 0.000 0.484 1245 R N 3.578 124.083 120.500 0.009 0.000 2.500 1245 R HA 0.240 4.568 4.340 -0.019 0.000 0.277 1245 R C -0.453 175.851 176.300 0.007 0.000 1.026 1245 R CA -0.574 55.529 56.100 0.005 0.000 1.058 1245 R CB 0.610 30.911 30.300 0.002 0.000 1.078 1245 R HN 0.768 nan 8.270 nan 0.000 0.509 1246 D N 0.808 121.210 120.400 0.004 0.000 2.697 1246 D HA -0.144 4.485 4.640 -0.019 0.000 0.238 1246 D C -0.338 175.965 176.300 0.006 0.000 1.152 1246 D CA 0.951 54.953 54.000 0.004 0.000 0.666 1246 D CB -1.191 39.612 40.800 0.005 0.000 1.037 1246 D HN 0.683 nan 8.370 nan 0.000 0.423 1247 C N -1.535 117.768 119.300 0.006 0.000 3.359 1247 C HA 0.377 4.825 4.460 -0.019 0.000 0.194 1247 C C -2.208 172.780 174.990 -0.003 0.000 1.659 1247 C CA -1.901 57.122 59.018 0.008 0.000 1.338 1247 C CB 0.277 28.030 27.740 0.022 0.000 2.109 1247 C HN 0.069 nan 8.230 nan 0.000 0.518 1248 P HA 0.037 nan 4.420 nan 0.000 0.264 1248 P C -0.393 176.874 177.300 -0.056 0.000 1.183 1248 P CA 0.833 63.916 63.100 -0.029 0.000 0.763 1248 P CB 0.666 32.353 31.700 -0.022 0.000 0.807 1249 N N 2.629 121.269 118.700 -0.101 0.000 2.485 1249 N HA 0.044 4.772 4.740 -0.019 0.000 0.243 1249 N C 1.277 176.674 175.510 -0.189 0.000 0.987 1249 N CA -0.555 52.385 53.050 -0.185 0.000 0.940 1249 N CB 0.566 38.859 38.487 -0.324 0.000 1.122 1249 N HN 0.283 nan 8.380 nan 0.000 0.509 1250 K N 2.745 123.057 120.400 -0.147 0.000 2.280 1250 K HA -0.073 4.236 4.320 -0.019 0.000 0.202 1250 K C 0.462 176.975 176.600 -0.144 0.000 1.047 1250 K CA 0.975 57.191 56.287 -0.118 0.000 0.942 1250 K CB 0.124 32.578 32.500 -0.077 0.000 0.739 1250 K HN 0.304 nan 8.250 nan 0.000 0.457 1251 K N 0.398 120.660 120.400 -0.229 0.000 2.426 1251 K HA 0.173 4.481 4.320 -0.019 0.000 0.193 1251 K C 0.481 177.028 176.600 -0.088 0.000 1.028 1251 K CA 0.418 56.582 56.287 -0.205 0.000 1.047 1251 K CB 0.763 33.002 32.500 -0.436 0.000 0.821 1251 K HN 0.309 nan 8.250 nan 0.000 0.513 1252 A N 0.926 123.628 122.820 -0.196 0.000 2.530 1252 A HA 0.447 4.755 4.320 -0.019 0.000 0.288 1252 A C -0.799 176.664 177.584 -0.202 0.000 1.172 1252 A CA -0.854 51.099 52.037 -0.139 0.000 0.733 1252 A CB 0.809 19.742 19.000 -0.111 0.000 1.320 1252 A HN 0.115 nan 8.150 nan 0.000 0.419 1253 I N 0.869 121.293 120.570 -0.244 0.000 2.919 1253 I HA 0.037 4.195 4.170 -0.019 0.000 0.299 1253 I C -0.005 175.996 176.117 -0.193 0.000 1.221 1253 I CA 1.329 62.419 61.300 -0.350 0.000 1.424 1253 I CB -1.307 36.503 38.000 -0.316 0.000 1.358 1253 I HN 0.599 nan 8.210 nan 0.000 0.551 1254 Y N 5.697 125.888 120.300 -0.182 0.000 3.491 1254 Y HA -0.278 4.261 4.550 -0.019 0.000 0.215 1254 Y C 1.428 177.266 175.900 -0.104 0.000 1.219 1254 Y CA 0.588 58.612 58.100 -0.126 0.000 1.485 1254 Y CB -1.804 36.602 38.460 -0.090 0.000 1.450 1254 Y HN 1.023 nan 8.280 nan 0.000 0.603 1255 A N -1.369 121.438 122.820 -0.021 0.000 2.979 1255 A HA -0.271 4.037 4.320 -0.019 0.000 0.260 1255 A C 1.019 178.562 177.584 -0.068 0.000 1.282 1255 A CA 1.090 53.093 52.037 -0.057 0.000 0.971 1255 A CB -1.992 16.993 19.000 -0.025 0.000 1.124 1255 A HN 1.341 nan 8.150 nan 0.000 0.826 1256 S N -0.891 114.777 115.700 -0.053 0.000 2.655 1256 S HA 0.743 5.202 4.470 -0.019 0.000 0.265 1256 S C -0.081 174.471 174.600 -0.079 0.000 1.240 1256 S CA 0.004 58.180 58.200 -0.040 0.000 0.986 1256 S CB 1.404 64.605 63.200 0.002 0.000 0.985 1256 S HN 0.561 nan 8.310 nan 0.000 0.562 1257 K N -0.275 120.120 120.400 -0.008 0.000 2.435 1257 K HA 0.647 4.956 4.320 -0.019 0.000 0.251 1257 K C -0.640 176.043 176.600 0.138 0.000 0.954 1257 K CA -0.922 55.416 56.287 0.086 0.000 0.820 1257 K CB 2.156 34.728 32.500 0.120 0.000 1.292 1257 K HN 0.838 nan 8.250 nan 0.000 0.436 1258 A N 0.913 123.867 122.820 0.222 0.000 2.531 1258 A HA 0.106 4.414 4.320 -0.019 0.000 0.236 1258 A C 0.602 178.217 177.584 0.051 0.000 1.062 1258 A CA 0.070 52.164 52.037 0.095 0.000 0.760 1258 A CB 0.405 19.429 19.000 0.041 0.000 0.995 1258 A HN 0.521 nan 8.150 nan 0.000 0.501 1259 V N 2.616 122.538 119.914 0.013 0.000 3.426 1259 V HA 0.212 4.320 4.120 -0.019 0.000 0.279 1259 V C 1.805 177.881 176.094 -0.030 0.000 1.544 1259 V CA 1.401 63.701 62.300 0.000 0.000 1.017 1259 V CB -0.239 31.597 31.823 0.021 0.000 0.821 1259 V HN 1.143 nan 8.190 nan 0.000 0.432 1260 G N 0.449 109.225 108.800 -0.039 0.000 2.586 1260 G HA2 -0.266 3.683 3.960 -0.019 0.000 0.218 1260 G HA3 -0.266 3.683 3.960 -0.019 0.000 0.218 1260 G C 1.226 176.088 174.900 -0.064 0.000 1.216 1260 G CA 1.630 46.715 45.100 -0.026 0.000 0.786 1260 G HN 0.598 nan 8.290 nan 0.000 0.583 1261 E N 0.264 120.330 120.200 -0.222 0.000 2.244 1261 E HA 0.030 4.368 4.350 -0.019 0.000 0.196 1261 E C -0.215 176.017 176.600 -0.614 0.000 0.939 1261 E CA -0.061 56.099 56.400 -0.400 0.000 0.884 1261 E CB 0.074 29.398 29.700 -0.626 0.000 0.850 1261 E HN 0.283 nan 8.360 nan 0.000 0.481 1262 P HA -0.160 nan 4.420 nan 0.000 0.217 1262 P C -1.741 175.507 177.300 -0.087 0.000 1.151 1262 P CA 1.810 64.649 63.100 -0.436 0.000 0.849 1262 P CB -0.783 30.830 31.700 -0.145 0.000 0.787 1263 P HA 0.033 nan 4.420 nan 0.000 0.245 1263 P C 1.451 178.852 177.300 0.169 0.000 1.206 1263 P CA 0.424 63.597 63.100 0.121 0.000 0.781 1263 P CB -0.393 31.386 31.700 0.133 0.000 0.994 1264 L N -1.319 119.962 121.223 0.097 0.000 2.093 1264 L HA -0.083 4.246 4.340 -0.019 0.000 0.208 1264 L C 2.138 179.122 176.870 0.189 0.000 1.085 1264 L CA 1.354 56.258 54.840 0.105 0.000 0.755 1264 L CB -0.656 41.429 42.059 0.043 0.000 0.904 1264 L HN -0.135 nan 8.230 nan 0.000 0.435 1265 F N 0.358 120.389 119.950 0.134 0.000 2.307 1265 F HA -0.203 4.313 4.527 -0.018 0.000 0.301 1265 F C 1.864 177.801 175.800 0.229 0.000 1.076 1265 F CA 1.305 59.448 58.000 0.239 0.000 1.383 1265 F CB -0.263 38.860 39.000 0.205 0.000 1.055 1265 F HN 0.022 nan 8.300 nan 0.000 0.526 1266 L N -0.307 120.982 121.223 0.110 0.000 2.265 1266 L HA -0.144 4.184 4.340 -0.019 0.000 0.215 1266 L C 2.676 179.592 176.870 0.077 0.000 1.117 1266 L CA 0.964 55.875 54.840 0.118 0.000 0.782 1266 L CB -1.448 40.809 42.059 0.330 0.000 0.914 1266 L HN 0.319 nan 8.230 nan 0.000 0.441 1267 G N -0.229 108.462 108.800 -0.182 0.000 2.470 1267 G HA2 -0.223 3.725 3.960 -0.019 0.000 0.220 1267 G HA3 -0.223 3.725 3.960 -0.019 0.000 0.220 1267 G C 1.748 176.476 174.900 -0.286 0.000 1.121 1267 G CA 0.701 45.416 45.100 -0.643 0.000 0.766 1267 G HN 0.474 nan 8.290 nan 0.000 0.553 1268 A N 1.455 123.984 122.820 -0.485 0.000 2.070 1268 A HA -0.030 4.278 4.320 -0.019 0.000 0.220 1268 A C 2.684 180.150 177.584 -0.197 0.000 1.159 1268 A CA 2.189 53.744 52.037 -0.804 0.000 0.656 1268 A CB -0.644 17.500 19.000 -1.427 0.000 0.800 1268 A HN 0.749 nan 8.150 nan 0.000 0.453 1269 S N -0.166 115.486 115.700 -0.079 0.000 2.402 1269 S HA -0.178 4.281 4.470 -0.019 0.000 0.233 1269 S C 1.681 176.340 174.600 0.098 0.000 1.030 1269 S CA 1.626 59.884 58.200 0.096 0.000 1.003 1269 S CB -1.010 62.275 63.200 0.141 0.000 0.813 1269 S HN 0.306 nan 8.310 nan 0.000 0.477 1270 V N 0.929 120.868 119.914 0.041 0.000 2.358 1270 V HA -0.052 4.056 4.120 -0.019 0.000 0.246 1270 V C 2.066 178.119 176.094 -0.068 0.000 1.047 1270 V CA 1.885 64.185 62.300 0.000 0.000 1.035 1270 V CB -1.069 30.737 31.823 -0.029 0.000 0.658 1270 V HN 0.555 nan 8.190 nan 0.000 0.452 1271 F N 0.642 120.439 119.950 -0.254 0.000 2.095 1271 F HA -0.220 4.297 4.527 -0.016 0.000 0.298 1271 F C 2.049 177.598 175.800 -0.418 0.000 1.104 1271 F CA 1.942 59.712 58.000 -0.382 0.000 1.232 1271 F CB -0.319 38.341 39.000 -0.565 0.000 0.987 1271 F HN 0.132 nan 8.300 nan 0.000 0.475 1272 F N 0.180 120.223 119.950 0.155 0.000 2.325 1272 F HA -0.020 4.494 4.527 -0.023 0.000 0.299 1272 F C 2.476 178.258 175.800 -0.030 0.000 1.090 1272 F CA 0.749 58.788 58.000 0.065 0.000 1.392 1272 F CB -1.049 37.991 39.000 0.066 0.000 1.053 1272 F HN 0.071 nan 8.300 nan 0.000 0.521 1273 A N 0.545 123.413 122.820 0.079 0.000 1.902 1273 A HA -0.136 4.172 4.320 -0.019 0.000 0.217 1273 A C 2.209 179.751 177.584 -0.071 0.000 1.181 1273 A CA 1.428 53.473 52.037 0.014 0.000 0.623 1273 A CB -0.977 18.024 19.000 0.002 0.000 0.818 1273 A HN 0.383 nan 8.150 nan 0.000 0.443 1274 I N -0.638 119.816 120.570 -0.192 0.000 2.226 1274 I HA -0.275 3.883 4.170 -0.019 0.000 0.245 1274 I C 2.559 178.554 176.117 -0.203 0.000 1.100 1274 I CA 1.859 62.997 61.300 -0.270 0.000 1.374 1274 I CB -0.229 37.489 38.000 -0.469 0.000 1.057 1274 I HN 0.363 nan 8.210 nan 0.000 0.413 1275 K N 0.733 120.981 120.400 -0.253 0.000 2.063 1275 K HA -0.280 4.028 4.320 -0.019 0.000 0.208 1275 K C 1.815 178.469 176.600 0.089 0.000 1.048 1275 K CA 2.121 58.361 56.287 -0.078 0.000 0.928 1275 K CB -0.122 32.319 32.500 -0.100 0.000 0.713 1275 K HN 0.174 nan 8.250 nan 0.000 0.442 1276 D N -0.037 120.402 120.400 0.064 0.000 2.104 1276 D HA -0.150 4.479 4.640 -0.019 0.000 0.194 1276 D C 1.672 178.009 176.300 0.061 0.000 0.994 1276 D CA 1.647 55.695 54.000 0.080 0.000 0.830 1276 D CB -0.124 40.714 40.800 0.064 0.000 0.959 1276 D HN 0.318 nan 8.370 nan 0.000 0.452 1277 A N 0.161 122.995 122.820 0.023 0.000 1.908 1277 A HA -0.140 4.169 4.320 -0.019 0.000 0.218 1277 A C 2.511 180.113 177.584 0.030 0.000 1.181 1277 A CA 1.403 53.452 52.037 0.019 0.000 0.627 1277 A CB -0.860 18.135 19.000 -0.009 0.000 0.818 1277 A HN 0.386 nan 8.150 nan 0.000 0.445 1278 I N -0.887 119.705 120.570 0.036 0.000 2.208 1278 I HA -0.296 3.862 4.170 -0.019 0.000 0.245 1278 I C 2.760 178.879 176.117 0.003 0.000 1.097 1278 I CA 1.424 62.734 61.300 0.017 0.000 1.363 1278 I CB -0.385 37.645 38.000 0.051 0.000 1.051 1278 I HN 0.304 nan 8.210 nan 0.000 0.413 1279 R N 0.713 121.292 120.500 0.132 0.000 2.103 1279 R HA -0.200 4.128 4.340 -0.019 0.000 0.242 1279 R C 2.446 178.772 176.300 0.044 0.000 1.142 1279 R CA 1.648 57.833 56.100 0.142 0.000 0.960 1279 R CB -0.537 29.888 30.300 0.209 0.000 0.858 1279 R HN 0.410 nan 8.270 nan 0.000 0.439 1280 A N 1.188 124.028 122.820 0.033 0.000 1.877 1280 A HA -0.110 4.198 4.320 -0.019 0.000 0.216 1280 A C 2.395 179.953 177.584 -0.043 0.000 1.186 1280 A CA 1.661 53.697 52.037 -0.001 0.000 0.620 1280 A CB -0.640 18.370 19.000 0.017 0.000 0.822 1280 A HN 0.406 nan 8.150 nan 0.000 0.443 1281 A N -0.213 122.589 122.820 -0.029 0.000 1.940 1281 A HA -0.189 4.119 4.320 -0.019 0.000 0.219 1281 A C 2.254 179.799 177.584 -0.065 0.000 1.176 1281 A CA 1.660 53.675 52.037 -0.037 0.000 0.631 1281 A CB -0.446 18.567 19.000 0.022 0.000 0.814 1281 A HN 0.568 nan 8.150 nan 0.000 0.446 1282 R N -0.729 119.724 120.500 -0.079 0.000 2.090 1282 R HA 0.034 4.363 4.340 -0.019 0.000 0.228 1282 R C 2.450 178.711 176.300 -0.065 0.000 1.110 1282 R CA 0.995 57.043 56.100 -0.088 0.000 0.973 1282 R CB -0.409 29.790 30.300 -0.168 0.000 0.869 1282 R HN 0.496 nan 8.270 nan 0.000 0.440 1283 A N 0.958 123.742 122.820 -0.061 0.000 1.972 1283 A HA -0.253 4.056 4.320 -0.019 0.000 0.219 1283 A C 2.099 179.607 177.584 -0.128 0.000 1.169 1283 A CA 1.493 53.492 52.037 -0.064 0.000 0.635 1283 A CB -0.345 18.629 19.000 -0.044 0.000 0.810 1283 A HN 0.254 nan 8.150 nan 0.000 0.446 1284 Q N -1.255 118.420 119.800 -0.209 0.000 2.020 1284 Q HA -0.150 4.179 4.340 -0.019 0.000 0.198 1284 Q C 1.614 177.336 176.000 -0.464 0.000 0.974 1284 Q CA 2.005 57.557 55.803 -0.418 0.000 0.829 1284 Q CB -0.123 28.238 28.738 -0.628 0.000 0.894 1284 Q HN 0.730 nan 8.270 nan 0.000 0.433 1285 H N -2.106 116.891 119.070 -0.121 0.000 3.241 1285 H HA 0.215 4.768 4.556 -0.006 0.000 0.260 1285 H C 1.312 176.607 175.328 -0.055 0.000 1.084 1285 H CA 1.132 57.119 56.048 -0.102 0.000 1.203 1285 H CB 0.688 30.390 29.762 -0.099 0.000 1.524 1285 H HN 0.443 nan 8.280 nan 0.000 0.521 1286 T N -0.376 114.206 114.554 0.047 0.000 3.042 1286 T HA 0.078 4.416 4.350 -0.019 0.000 0.245 1286 T C 0.712 175.418 174.700 0.010 0.000 1.029 1286 T CA 0.523 62.638 62.100 0.025 0.000 1.120 1286 T CB 0.581 69.448 68.868 -0.001 0.000 0.917 1286 T HN 0.599 nan 8.240 nan 0.000 0.467 1287 N N -1.076 117.624 118.700 -0.001 0.000 3.441 1287 N HA 0.193 4.921 4.740 -0.019 0.000 0.313 1287 N C -0.980 174.528 175.510 -0.003 0.000 1.526 1287 N CA -0.823 52.229 53.050 0.003 0.000 0.871 1287 N CB 0.256 38.752 38.487 0.014 0.000 1.779 1287 N HN -0.044 nan 8.380 nan 0.000 0.529 1288 N N -0.599 118.104 118.700 0.005 0.000 2.171 1288 N HA 0.019 4.747 4.740 -0.019 0.000 0.212 1288 N C -0.717 174.804 175.510 0.017 0.000 1.184 1288 N CA -0.016 53.036 53.050 0.004 0.000 0.888 1288 N CB -0.106 38.382 38.487 0.001 0.000 1.038 1288 N HN 0.464 nan 8.380 nan 0.000 0.517 1289 N N 1.930 120.647 118.700 0.029 0.000 2.402 1289 N HA 0.007 4.736 4.740 -0.019 0.000 0.259 1289 N C 1.048 176.592 175.510 0.056 0.000 1.167 1289 N CA 0.227 53.303 53.050 0.044 0.000 0.949 1289 N CB 0.519 39.038 38.487 0.054 0.000 1.212 1289 N HN 0.093 nan 8.380 nan 0.000 0.493 1290 T N 0.748 115.332 114.554 0.052 0.000 3.035 1290 T HA 0.002 4.341 4.350 -0.019 0.000 0.268 1290 T C 0.956 175.702 174.700 0.078 0.000 1.109 1290 T CA 0.979 63.113 62.100 0.057 0.000 1.119 1290 T CB 0.083 68.978 68.868 0.045 0.000 0.900 1290 T HN 0.422 nan 8.240 nan 0.000 0.503 1291 K N 0.932 121.381 120.400 0.083 0.000 2.455 1291 K HA 0.228 4.537 4.320 -0.019 0.000 0.206 1291 K C 0.369 177.037 176.600 0.114 0.000 1.027 1291 K CA -0.225 56.120 56.287 0.096 0.000 1.113 1291 K CB 0.579 33.133 32.500 0.090 0.000 0.850 1291 K HN 0.474 nan 8.250 nan 0.000 0.503 1292 E N 1.776 122.052 120.200 0.127 0.000 2.413 1292 E HA 0.020 4.358 4.350 -0.019 0.000 0.263 1292 E C -0.867 175.852 176.600 0.199 0.000 1.015 1292 E CA 0.153 56.649 56.400 0.159 0.000 0.916 1292 E CB 0.543 30.345 29.700 0.169 0.000 0.947 1292 E HN 0.147 nan 8.360 nan 0.000 0.440 1293 L N 6.737 128.070 121.223 0.184 0.000 2.318 1293 L HA 0.371 4.700 4.340 -0.019 0.000 0.277 1293 L C -0.448 176.533 176.870 0.185 0.000 1.008 1293 L CA -0.924 53.997 54.840 0.134 0.000 0.846 1293 L CB 0.276 42.404 42.059 0.114 0.000 1.220 1293 L HN 0.456 nan 8.230 nan 0.000 0.423 1294 F N 0.714 120.729 119.950 0.109 0.000 2.425 1294 F HA 0.645 5.159 4.527 -0.023 0.000 0.331 1294 F C 0.248 176.133 175.800 0.142 0.000 1.085 1294 F CA -1.212 56.854 58.000 0.110 0.000 1.028 1294 F CB 0.839 39.892 39.000 0.088 0.000 1.177 1294 F HN 0.352 nan 8.300 nan 0.000 0.487 1295 R N 3.119 123.729 120.500 0.184 0.000 2.347 1295 R HA 0.492 4.821 4.340 -0.019 0.000 0.304 1295 R C -1.688 174.748 176.300 0.226 0.000 1.072 1295 R CA -0.593 55.601 56.100 0.157 0.000 0.980 1295 R CB 0.756 31.177 30.300 0.202 0.000 0.986 1295 R HN 0.874 nan 8.270 nan 0.000 0.448 1296 L N 5.046 126.380 121.223 0.184 0.000 2.372 1296 L HA 0.393 4.722 4.340 -0.019 0.000 0.273 1296 L C -1.333 175.810 176.870 0.454 0.000 0.989 1296 L CA -0.486 54.538 54.840 0.306 0.000 0.841 1296 L CB 1.547 43.741 42.059 0.225 0.000 1.225 1296 L HN 0.642 nan 8.230 nan 0.000 0.414 1297 D N 1.840 122.486 120.400 0.411 0.000 2.329 1297 D HA 0.268 4.897 4.640 -0.019 0.000 0.246 1297 D C -0.381 176.198 176.300 0.466 0.000 1.111 1297 D CA 0.085 54.350 54.000 0.442 0.000 0.941 1297 D CB 1.713 42.752 40.800 0.399 0.000 1.169 1297 D HN 0.485 nan 8.370 nan 0.000 0.441 1298 S N 0.467 116.335 115.700 0.280 0.000 2.541 1298 S HA 0.507 4.965 4.470 -0.019 0.000 0.283 1298 S C -2.592 172.051 174.600 0.072 0.000 1.196 1298 S CA -1.481 56.763 58.200 0.074 0.000 1.062 1298 S CB 1.041 63.906 63.200 -0.559 0.000 1.009 1298 S HN 0.167 nan 8.310 nan 0.000 0.502 1299 P HA 0.244 nan 4.420 nan 0.000 0.278 1299 P C -1.257 176.151 177.300 0.181 0.000 1.238 1299 P CA -0.483 62.674 63.100 0.095 0.000 0.794 1299 P CB 0.764 32.466 31.700 0.003 0.000 0.955 1300 A N 2.747 125.702 122.820 0.225 0.000 2.990 1300 A HA 0.346 4.655 4.320 -0.019 0.000 0.282 1300 A C 1.001 178.596 177.584 0.018 0.000 1.688 1300 A CA -0.183 51.900 52.037 0.077 0.000 1.391 1300 A CB -1.411 17.477 19.000 -0.186 0.000 1.112 1300 A HN 0.608 nan 8.150 nan 0.000 0.588 1301 T N -0.479 114.099 114.554 0.041 0.000 2.766 1301 T HA 0.313 4.652 4.350 -0.019 0.000 0.295 1301 T C -1.569 173.145 174.700 0.024 0.000 1.024 1301 T CA -1.208 60.906 62.100 0.024 0.000 1.018 1301 T CB 0.363 69.240 68.868 0.014 0.000 1.002 1301 T HN 0.181 nan 8.240 nan 0.000 0.532 1302 P HA -0.185 nan 4.420 nan 0.000 0.216 1302 P C 1.567 178.874 177.300 0.012 0.000 1.157 1302 P CA 1.464 64.576 63.100 0.020 0.000 0.880 1302 P CB 0.018 31.720 31.700 0.003 0.000 0.791 1303 E N 0.192 120.396 120.200 0.006 0.000 2.049 1303 E HA -0.267 4.072 4.350 -0.019 0.000 0.198 1303 E C 1.816 178.433 176.600 0.027 0.000 1.007 1303 E CA 1.564 57.969 56.400 0.009 0.000 0.809 1303 E CB -0.229 29.471 29.700 -0.000 0.000 0.749 1303 E HN 0.164 nan 8.360 nan 0.000 0.450 1304 K N 0.013 120.438 120.400 0.041 0.000 2.057 1304 K HA -0.096 4.213 4.320 -0.019 0.000 0.206 1304 K C 2.314 178.943 176.600 0.049 0.000 1.050 1304 K CA 1.280 57.605 56.287 0.065 0.000 0.935 1304 K CB -0.107 32.449 32.500 0.094 0.000 0.715 1304 K HN 0.264 nan 8.250 nan 0.000 0.439 1305 I N 0.516 121.098 120.570 0.021 0.000 2.163 1305 I HA -0.266 3.892 4.170 -0.019 0.000 0.240 1305 I C 2.602 178.728 176.117 0.015 0.000 1.081 1305 I CA 0.995 62.296 61.300 0.002 0.000 1.353 1305 I CB -0.175 37.816 38.000 -0.015 0.000 1.054 1305 I HN 0.058 nan 8.210 nan 0.000 0.407 1306 R N 1.694 122.207 120.500 0.022 0.000 2.073 1306 R HA -0.167 4.161 4.340 -0.019 0.000 0.234 1306 R C 1.945 178.265 176.300 0.032 0.000 1.134 1306 R CA 1.860 57.977 56.100 0.028 0.000 0.952 1306 R CB -0.624 29.686 30.300 0.016 0.000 0.850 1306 R HN 0.270 nan 8.270 nan 0.000 0.433 1307 N N 0.183 118.902 118.700 0.031 0.000 2.272 1307 N HA -0.134 4.595 4.740 -0.019 0.000 0.185 1307 N C 1.253 176.775 175.510 0.019 0.000 1.014 1307 N CA 1.578 54.649 53.050 0.035 0.000 0.870 1307 N CB -0.342 38.172 38.487 0.044 0.000 0.975 1307 N HN 0.424 nan 8.380 nan 0.000 0.433 1308 A N -0.514 122.306 122.820 0.000 0.000 2.072 1308 A HA 0.041 4.349 4.320 -0.019 0.000 0.216 1308 A C 1.049 178.538 177.584 -0.159 0.000 1.156 1308 A CA 0.191 52.176 52.037 -0.086 0.000 0.701 1308 A CB -0.130 18.830 19.000 -0.067 0.000 0.816 1308 A HN 0.340 nan 8.150 nan 0.000 0.458 1309 C N 1.840 121.108 119.300 -0.054 0.000 2.861 1309 C HA 0.403 4.852 4.460 -0.019 0.000 0.542 1309 C C 0.632 175.653 174.990 0.052 0.000 1.074 1309 C CA -1.116 57.899 59.018 -0.005 0.000 1.232 1309 C CB -2.158 25.627 27.740 0.075 0.000 1.433 1309 C HN 0.297 nan 8.230 nan 0.000 0.606 1310 V N 4.344 124.260 119.914 0.004 0.000 2.557 1310 V HA 0.191 4.300 4.120 -0.019 0.000 0.301 1310 V C 0.351 176.492 176.094 0.079 0.000 1.026 1310 V CA 1.120 63.441 62.300 0.034 0.000 1.137 1310 V CB 0.078 31.900 31.823 -0.002 0.000 0.917 1310 V HN 0.888 nan 8.190 nan 0.000 0.484 1311 D N 3.344 123.799 120.400 0.092 0.000 3.103 1311 D HA 0.199 4.827 4.640 -0.019 0.000 0.337 1311 D C 0.665 176.957 176.300 -0.013 0.000 1.356 1311 D CA -0.440 53.609 54.000 0.080 0.000 0.951 1311 D CB 0.636 41.547 40.800 0.185 0.000 1.438 1311 D HN 0.325 nan 8.370 nan 0.000 0.562 1312 K N -0.452 119.851 120.400 -0.162 0.000 2.362 1312 K HA 0.007 4.315 4.320 -0.019 0.000 0.200 1312 K C 1.052 177.386 176.600 -0.443 0.000 1.046 1312 K CA 1.049 57.125 56.287 -0.352 0.000 0.952 1312 K CB -0.445 31.760 32.500 -0.492 0.000 0.753 1312 K HN 0.288 nan 8.250 nan 0.000 0.466 1313 F N 2.271 122.213 119.950 -0.013 0.000 2.274 1313 F HA -0.024 4.490 4.527 -0.023 0.000 0.288 1313 F C 2.904 178.694 175.800 -0.018 0.000 1.069 1313 F CA 1.078 59.057 58.000 -0.035 0.000 1.343 1313 F CB -0.836 38.119 39.000 -0.075 0.000 1.089 1313 F HN 0.102 nan 8.300 nan 0.000 0.517 1314 T N -2.052 112.602 114.554 0.167 0.000 2.759 1314 T HA -0.206 4.132 4.350 -0.019 0.000 0.269 1314 T C 1.888 176.618 174.700 0.050 0.000 1.042 1314 T CA 1.906 64.061 62.100 0.093 0.000 1.140 1314 T CB -1.205 67.710 68.868 0.079 0.000 0.864 1314 T HN 0.381 nan 8.240 nan 0.000 0.455 1315 T N -0.160 114.410 114.554 0.026 0.000 3.043 1315 T HA 0.285 4.624 4.350 -0.019 0.000 0.263 1315 T C 1.427 176.123 174.700 -0.007 0.000 1.094 1315 T CA 0.550 62.652 62.100 0.004 0.000 1.127 1315 T CB -0.692 68.170 68.868 -0.011 0.000 0.905 1315 T HN 0.553 nan 8.240 nan 0.000 0.490 1316 L N -0.978 120.236 121.223 -0.015 0.000 4.759 1316 L HA -0.242 4.086 4.340 -0.019 0.000 0.419 1316 L C 1.812 178.650 176.870 -0.055 0.000 1.093 1316 L CA 0.120 54.946 54.840 -0.023 0.000 1.037 1316 L CB -2.834 39.224 42.059 -0.001 0.000 2.095 1316 L HN 0.389 nan 8.230 nan 0.000 0.739 1317 C N -0.645 118.608 119.300 -0.080 0.000 2.413 1317 C HA -0.149 4.300 4.460 -0.019 0.000 0.277 1317 C C 2.594 177.516 174.990 -0.114 0.000 1.265 1317 C CA 1.204 60.171 59.018 -0.085 0.000 1.752 1317 C CB -0.518 27.170 27.740 -0.087 0.000 1.998 1317 C HN 0.645 nan 8.230 nan 0.000 0.489 1318 V N 1.784 121.583 119.914 -0.191 0.000 2.568 1318 V HA -0.184 3.924 4.120 -0.019 0.000 0.253 1318 V C 2.542 178.582 176.094 -0.091 0.000 1.072 1318 V CA 2.566 64.744 62.300 -0.204 0.000 1.084 1318 V CB -0.618 30.969 31.823 -0.392 0.000 0.676 1318 V HN 0.827 nan 8.190 nan 0.000 0.469 1319 T N -2.877 111.642 114.554 -0.059 0.000 3.160 1319 T HA 0.252 4.590 4.350 -0.019 0.000 0.257 1319 T C 1.499 176.184 174.700 -0.025 0.000 1.147 1319 T CA 1.003 63.087 62.100 -0.027 0.000 1.064 1319 T CB 0.200 69.061 68.868 -0.012 0.000 0.949 1319 T HN 1.275 nan 8.240 nan 0.000 0.526 1320 G N 0.643 109.422 108.800 -0.035 0.000 2.195 1320 G HA2 -0.033 3.916 3.960 -0.019 0.000 0.246 1320 G HA3 -0.033 3.916 3.960 -0.019 0.000 0.246 1320 G C 0.316 175.202 174.900 -0.023 0.000 0.984 1320 G CA -0.136 44.948 45.100 -0.026 0.000 0.633 1320 G HN 1.173 nan 8.290 nan 0.000 0.525 1321 A N 0.823 123.629 122.820 -0.024 0.000 2.332 1321 A HA 0.749 5.057 4.320 -0.019 0.000 0.258 1321 A C -1.468 176.104 177.584 -0.020 0.000 1.087 1321 A CA -0.648 51.379 52.037 -0.018 0.000 0.802 1321 A CB 0.285 19.277 19.000 -0.014 0.000 1.042 1321 A HN 0.216 nan 8.150 nan 0.000 0.489 1322 P HA 0.539 nan 4.420 nan 0.000 0.274 1322 P C 0.159 177.453 177.300 -0.011 0.000 1.231 1322 P CA 0.180 63.273 63.100 -0.012 0.000 0.790 1322 P CB 1.246 32.943 31.700 -0.006 0.000 0.951 1323 G N 0.716 109.510 108.800 -0.010 0.000 2.495 1323 G HA2 0.170 4.118 3.960 -0.019 0.000 0.294 1323 G HA3 0.170 4.118 3.960 -0.019 0.000 0.294 1323 G C -1.054 173.844 174.900 -0.003 0.000 1.397 1323 G CA -0.659 44.436 45.100 -0.007 0.000 0.790 1323 G HN 0.413 nan 8.290 nan 0.000 0.486 1324 N N 0.586 119.287 118.700 0.002 0.000 2.994 1324 N HA 0.253 4.982 4.740 -0.019 0.000 0.306 1324 N C -0.002 175.513 175.510 0.008 0.000 1.348 1324 N CA 0.231 53.286 53.050 0.008 0.000 1.109 1324 N CB 0.087 38.582 38.487 0.014 0.000 1.415 1324 N HN 0.761 nan 8.380 nan 0.000 0.529 1325 C N -1.251 118.051 119.300 0.004 0.000 3.213 1325 C HA 0.686 5.135 4.460 -0.019 0.000 0.319 1325 C C 0.111 175.106 174.990 0.007 0.000 1.386 1325 C CA -1.119 57.905 59.018 0.010 0.000 1.494 1325 C CB 1.867 29.614 27.740 0.011 0.000 1.905 1325 C HN 0.375 nan 8.230 nan 0.000 0.456 1326 K N 0.000 120.410 120.400 0.016 0.000 2.780 1326 K HA 0.000 4.308 4.320 -0.019 0.000 0.191 1326 K CA 0.000 56.294 56.287 0.011 0.000 0.838 1326 K CB 0.000 32.505 32.500 0.008 0.000 1.064 1326 K HN 0.000 nan 8.250 nan 0.000 0.543