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_L DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.256 176.300 -0.074 0.000 2.045 571 D CA 0.000 53.955 54.000 -0.075 0.000 0.868 571 D CB 0.000 40.748 40.800 -0.086 0.000 0.688 572 T N -0.467 114.043 114.554 -0.074 0.000 3.054 572 T HA 0.242 4.592 4.350 -0.001 0.000 0.255 572 T C 0.756 175.413 174.700 -0.071 0.000 1.035 572 T CA -0.083 61.981 62.100 -0.060 0.000 0.941 572 T CB 0.050 68.892 68.868 -0.043 0.000 1.026 572 T HN 0.145 nan 8.240 nan 0.000 0.533 573 V N 2.361 122.209 119.914 -0.111 0.000 2.493 573 V HA 0.462 4.582 4.120 -0.001 0.000 0.292 573 V C 1.642 177.675 176.094 -0.102 0.000 1.016 573 V CA 1.331 63.553 62.300 -0.129 0.000 1.097 573 V CB -0.147 31.514 31.823 -0.270 0.000 0.947 573 V HN 0.874 nan 8.190 nan 0.000 0.479 574 G N 4.545 113.307 108.800 -0.064 0.000 2.176 574 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.232 574 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.232 574 G C 0.225 175.104 174.900 -0.035 0.000 0.986 574 G CA -0.419 44.653 45.100 -0.046 0.000 0.643 574 G HN 0.526 nan 8.290 nan 0.000 0.522 575 R N 0.415 120.894 120.500 -0.035 0.000 2.540 575 R HA 0.474 4.814 4.340 -0.001 0.000 0.287 575 R C -2.466 173.823 176.300 -0.018 0.000 0.980 575 R CA -2.185 53.900 56.100 -0.026 0.000 0.966 575 R CB 1.370 31.653 30.300 -0.028 0.000 1.106 575 R HN 0.093 nan 8.270 nan 0.000 0.480 576 P HA 0.050 nan 4.420 nan 0.000 0.225 576 P C -0.192 177.109 177.300 0.001 0.000 1.768 576 P CA -0.398 62.699 63.100 -0.005 0.000 0.943 576 P CB -0.144 31.553 31.700 -0.005 0.000 1.936 577 L N 3.204 124.426 121.223 -0.001 0.000 2.462 577 L HA 0.276 4.616 4.340 -0.001 0.000 0.272 577 L C -2.228 174.654 176.870 0.019 0.000 1.166 577 L CA -1.660 53.183 54.840 0.005 0.000 0.880 577 L CB -0.455 41.601 42.059 -0.005 0.000 1.142 577 L HN 0.027 nan 8.230 nan 0.000 0.473 578 P HA 0.002 nan 4.420 nan 0.000 0.270 578 P C -0.780 176.577 177.300 0.094 0.000 1.223 578 P CA -0.159 62.980 63.100 0.066 0.000 0.785 578 P CB 0.218 31.958 31.700 0.066 0.000 0.923 579 H N 2.144 121.227 119.070 0.021 0.000 3.167 579 H HA -0.055 4.500 4.556 -0.001 0.000 0.306 579 H C 1.183 176.528 175.328 0.028 0.000 0.965 579 H CA 0.675 56.738 56.048 0.024 0.000 1.408 579 H CB 0.308 30.087 29.762 0.027 0.000 1.406 579 H HN 0.342 nan 8.280 nan 0.000 0.576 580 L N 4.255 125.502 121.223 0.040 0.000 2.189 580 L HA -0.213 4.126 4.340 -0.001 0.000 0.214 580 L C 2.322 179.307 176.870 0.190 0.000 1.097 580 L CA 1.530 56.426 54.840 0.092 0.000 0.764 580 L CB -0.348 41.717 42.059 0.011 0.000 0.900 580 L HN 0.629 nan 8.230 nan 0.000 0.436 581 A N -0.862 122.194 122.820 0.393 0.000 2.308 581 A HA 0.377 4.697 4.320 -0.001 0.000 0.217 581 A C 2.340 179.998 177.584 0.123 0.000 1.216 581 A CA 0.667 52.839 52.037 0.226 0.000 0.864 581 A CB -0.198 18.925 19.000 0.205 0.000 0.902 581 A HN 0.288 nan 8.150 nan 0.000 0.499 582 A N 0.312 123.213 122.820 0.135 0.000 1.933 582 A HA 0.123 4.443 4.320 -0.001 0.000 0.218 582 A C 2.388 179.998 177.584 0.043 0.000 1.175 582 A CA 1.884 53.940 52.037 0.032 0.000 0.628 582 A CB -0.737 18.293 19.000 0.050 0.000 0.814 582 A HN 0.984 nan 8.150 nan 0.000 0.444 583 A N -0.666 122.190 122.820 0.060 0.000 1.898 583 A HA -0.067 4.253 4.320 -0.001 0.000 0.216 583 A C 2.216 179.828 177.584 0.046 0.000 1.181 583 A CA 1.706 53.772 52.037 0.049 0.000 0.620 583 A CB -0.475 18.554 19.000 0.048 0.000 0.819 583 A HN 0.524 nan 8.150 nan 0.000 0.442 584 M N -0.967 118.664 119.600 0.050 0.000 2.319 584 M HA -0.134 4.346 4.480 -0.001 0.000 0.265 584 M C 2.264 178.596 176.300 0.053 0.000 1.068 584 M CA 1.040 56.368 55.300 0.045 0.000 1.118 584 M CB -0.240 32.385 32.600 0.042 0.000 1.395 584 M HN 0.494 nan 8.290 nan 0.000 0.435 585 Q N 0.138 119.970 119.800 0.053 0.000 2.123 585 Q HA -0.063 4.276 4.340 -0.001 0.000 0.199 585 Q C 2.252 178.296 176.000 0.073 0.000 0.966 585 Q CA 1.510 57.361 55.803 0.080 0.000 0.845 585 Q CB -0.212 28.557 28.738 0.051 0.000 0.907 585 Q HN 0.567 nan 8.270 nan 0.000 0.439 586 A N 1.038 123.889 122.820 0.052 0.000 2.015 586 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 586 A C 2.120 179.731 177.584 0.045 0.000 1.163 586 A CA 1.602 53.668 52.037 0.048 0.000 0.646 586 A CB -0.289 18.736 19.000 0.041 0.000 0.806 586 A HN 0.401 nan 8.150 nan 0.000 0.448 587 S N -2.385 113.342 115.700 0.045 0.000 2.556 587 S HA 0.399 4.869 4.470 -0.001 0.000 0.216 587 S C 1.336 175.962 174.600 0.044 0.000 0.970 587 S CA 0.965 59.188 58.200 0.039 0.000 0.912 587 S CB -0.114 63.106 63.200 0.033 0.000 0.790 587 S HN 1.855 nan 8.310 nan 0.000 0.504 588 G N 1.249 110.085 108.800 0.061 0.000 2.143 588 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.248 588 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.248 588 G C 0.417 175.358 174.900 0.068 0.000 0.991 588 G CA 0.501 45.644 45.100 0.073 0.000 0.689 588 G HN 0.585 nan 8.290 nan 0.000 0.522 589 E N -0.111 120.122 120.200 0.055 0.000 2.276 589 E HA 0.417 4.766 4.350 -0.001 0.000 0.193 589 E C 1.802 178.415 176.600 0.022 0.000 0.983 589 E CA 0.327 56.747 56.400 0.034 0.000 0.861 589 E CB 0.203 29.917 29.700 0.024 0.000 0.817 589 E HN 0.782 nan 8.360 nan 0.000 0.485 590 A N 1.605 124.440 122.820 0.025 0.000 2.520 590 A HA 0.159 4.479 4.320 -0.001 0.000 0.245 590 A C 0.111 177.626 177.584 -0.114 0.000 1.072 590 A CA -0.024 51.974 52.037 -0.064 0.000 0.761 590 A CB 0.294 19.242 19.000 -0.086 0.000 1.004 590 A HN 0.005 nan 8.150 nan 0.000 0.499 591 V N 4.208 124.002 119.914 -0.200 0.000 2.407 591 V HA 0.329 4.449 4.120 -0.001 0.000 0.278 591 V C -0.515 175.392 176.094 -0.312 0.000 1.037 591 V CA -0.147 62.070 62.300 -0.139 0.000 0.900 591 V CB 0.250 32.015 31.823 -0.097 0.000 0.983 591 V HN 0.761 nan 8.190 nan 0.000 0.459 592 Y N 1.796 122.088 120.300 -0.014 0.000 2.519 592 Y HA 0.326 4.876 4.550 -0.001 0.000 0.324 592 Y C 1.575 177.464 175.900 -0.018 0.000 1.214 592 Y CA -0.291 57.801 58.100 -0.013 0.000 1.260 592 Y CB 0.704 39.158 38.460 -0.011 0.000 1.311 592 Y HN 0.669 nan 8.280 nan 0.000 0.505 593 C N 0.720 120.107 119.300 0.145 0.000 2.349 593 C HA -0.288 4.171 4.460 -0.001 0.000 0.274 593 C C 2.422 177.452 174.990 0.066 0.000 1.178 593 C CA 2.511 61.581 59.018 0.085 0.000 1.769 593 C CB -0.868 26.931 27.740 0.097 0.000 2.047 593 C HN 1.080 nan 8.230 nan 0.000 0.448 594 D N -0.456 119.997 120.400 0.088 0.000 2.378 594 D HA -0.046 4.594 4.640 -0.001 0.000 0.227 594 D C 1.383 177.722 176.300 0.064 0.000 1.012 594 D CA 0.787 54.835 54.000 0.079 0.000 0.905 594 D CB -0.304 40.548 40.800 0.087 0.000 0.895 594 D HN 0.563 nan 8.370 nan 0.000 0.532 595 D N -0.374 120.065 120.400 0.066 0.000 2.323 595 D HA 0.029 4.669 4.640 -0.001 0.000 0.209 595 D C 0.650 176.940 176.300 -0.017 0.000 0.973 595 D CA 0.043 54.070 54.000 0.045 0.000 0.874 595 D CB 0.152 41.002 40.800 0.084 0.000 0.930 595 D HN 0.354 nan 8.370 nan 0.000 0.521 596 I N 2.642 123.176 120.570 -0.060 0.000 2.752 596 I HA -0.023 4.146 4.170 -0.001 0.000 0.289 596 I C -1.862 174.176 176.117 -0.131 0.000 1.197 596 I CA -1.290 59.919 61.300 -0.152 0.000 1.432 596 I CB 0.115 37.957 38.000 -0.263 0.000 1.359 596 I HN -0.262 nan 8.210 nan 0.000 0.571 597 P HA 0.112 nan 4.420 nan 0.000 0.269 597 P C -0.965 176.231 177.300 -0.173 0.000 1.217 597 P CA -0.228 62.789 63.100 -0.138 0.000 0.783 597 P CB 0.483 32.087 31.700 -0.159 0.000 0.898 598 R N 1.208 121.655 120.500 -0.087 0.000 2.357 598 R HA 0.326 4.665 4.340 -0.001 0.000 0.296 598 R C -0.218 176.024 176.300 -0.096 0.000 1.052 598 R CA -0.318 55.749 56.100 -0.056 0.000 0.988 598 R CB -0.064 30.286 30.300 0.084 0.000 1.025 598 R HN 0.444 nan 8.270 nan 0.000 0.469 599 Y N 1.729 122.031 120.300 0.002 0.000 2.550 599 Y HA -0.159 4.391 4.550 -0.001 0.000 0.343 599 Y C 1.923 177.842 175.900 0.031 0.000 1.245 599 Y CA 0.432 58.538 58.100 0.010 0.000 1.462 599 Y CB 0.671 39.133 38.460 0.003 0.000 1.340 599 Y HN 0.726 nan 8.280 nan 0.000 0.604 600 E N 0.574 120.909 120.200 0.226 0.000 2.171 600 E HA -0.286 4.063 4.350 -0.001 0.000 0.197 600 E C 0.607 177.300 176.600 0.155 0.000 0.997 600 E CA 1.685 58.175 56.400 0.149 0.000 0.810 600 E CB -0.315 29.454 29.700 0.116 0.000 0.738 600 E HN 0.742 nan 8.360 nan 0.000 0.467 601 N N 1.059 119.859 118.700 0.166 0.000 2.251 601 N HA 0.010 4.750 4.740 -0.001 0.000 0.217 601 N C -0.391 175.268 175.510 0.250 0.000 1.124 601 N CA -0.103 53.070 53.050 0.205 0.000 0.843 601 N CB 0.213 38.761 38.487 0.103 0.000 1.024 601 N HN 0.241 nan 8.380 nan 0.000 0.501 602 E N 0.960 121.261 120.200 0.168 0.000 2.344 602 E HA 0.232 4.581 4.350 -0.001 0.000 0.270 602 E C -0.508 176.044 176.600 -0.079 0.000 1.021 602 E CA -0.260 56.168 56.400 0.046 0.000 0.887 602 E CB 0.629 30.327 29.700 -0.004 0.000 0.997 602 E HN 0.232 nan 8.360 nan 0.000 0.429 603 L N 3.396 124.511 121.223 -0.181 0.000 2.335 603 L HA 0.554 4.894 4.340 -0.001 0.000 0.268 603 L C -0.669 175.896 176.870 -0.509 0.000 1.016 603 L CA -1.066 53.675 54.840 -0.167 0.000 0.805 603 L CB 0.834 42.839 42.059 -0.090 0.000 1.311 603 L HN 0.517 nan 8.230 nan 0.000 0.456 604 F N 0.840 120.805 119.950 0.025 0.000 2.540 604 F HA 0.573 5.099 4.527 -0.001 0.000 0.317 604 F C -0.271 175.544 175.800 0.024 0.000 1.104 604 F CA -0.449 57.571 58.000 0.034 0.000 0.913 604 F CB 1.848 40.870 39.000 0.037 0.000 1.170 604 F HN 0.149 nan 8.300 nan 0.000 0.450 605 L N 3.440 124.761 121.223 0.163 0.000 2.334 605 L HA 0.795 5.135 4.340 -0.001 0.000 0.273 605 L C -0.925 176.023 176.870 0.130 0.000 1.013 605 L CA -0.733 54.175 54.840 0.113 0.000 0.816 605 L CB 1.601 43.705 42.059 0.075 0.000 1.278 605 L HN 0.745 nan 8.230 nan 0.000 0.431 606 R N 3.719 124.282 120.500 0.105 0.000 2.574 606 R HA 0.549 4.888 4.340 -0.001 0.000 0.288 606 R C -1.660 174.692 176.300 0.086 0.000 1.004 606 R CA -0.486 55.668 56.100 0.089 0.000 0.895 606 R CB 1.395 31.735 30.300 0.066 0.000 1.191 606 R HN 0.666 nan 8.270 nan 0.000 0.444 607 L N 3.772 125.050 121.223 0.091 0.000 2.426 607 L HA 0.329 4.668 4.340 -0.001 0.000 0.271 607 L C -0.307 176.622 176.870 0.098 0.000 1.169 607 L CA -0.590 54.315 54.840 0.108 0.000 0.836 607 L CB 1.172 43.305 42.059 0.124 0.000 1.112 607 L HN 0.327 nan 8.230 nan 0.000 0.465 608 V N 2.471 122.455 119.914 0.117 0.000 2.398 608 V HA 0.414 4.534 4.120 -0.001 0.000 0.286 608 V C 0.185 176.362 176.094 0.137 0.000 1.026 608 V CA -0.270 62.113 62.300 0.139 0.000 0.868 608 V CB 1.627 33.591 31.823 0.236 0.000 0.982 608 V HN 0.787 nan 8.190 nan 0.000 0.443 609 T N 2.860 117.498 114.554 0.141 0.000 2.893 609 T HA 0.331 4.681 4.350 -0.001 0.000 0.291 609 T C -0.097 174.716 174.700 0.188 0.000 1.028 609 T CA -0.253 61.940 62.100 0.156 0.000 0.995 609 T CB 1.811 70.763 68.868 0.141 0.000 1.051 609 T HN 0.710 nan 8.240 nan 0.000 0.470 610 S N 0.994 116.821 115.700 0.213 0.000 2.552 610 S HA 0.103 4.573 4.470 -0.001 0.000 0.289 610 S C 1.404 176.085 174.600 0.135 0.000 1.304 610 S CA 0.224 58.571 58.200 0.244 0.000 1.063 610 S CB 0.214 63.565 63.200 0.251 0.000 0.848 610 S HN 0.862 nan 8.310 nan 0.000 0.499 611 T N 2.778 117.363 114.554 0.053 0.000 3.069 611 T HA 0.354 4.703 4.350 -0.001 0.000 0.252 611 T C 0.328 174.902 174.700 -0.210 0.000 1.053 611 T CA -0.424 61.645 62.100 -0.052 0.000 0.964 611 T CB 0.056 68.925 68.868 0.001 0.000 1.005 611 T HN 0.413 nan 8.240 nan 0.000 0.532 612 R N 0.293 120.595 120.500 -0.329 0.000 2.740 612 R HA 0.774 5.114 4.340 -0.001 0.000 0.282 612 R C 0.901 177.148 176.300 -0.087 0.000 0.969 612 R CA -0.298 55.621 56.100 -0.301 0.000 0.918 612 R CB 1.367 31.330 30.300 -0.561 0.000 1.175 612 R HN 0.136 nan 8.270 nan 0.000 0.464 613 A N 0.961 123.761 122.820 -0.034 0.000 1.968 613 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 613 A C 0.196 177.846 177.584 0.110 0.000 1.169 613 A CA 1.449 53.500 52.037 0.023 0.000 0.638 613 A CB -0.147 18.854 19.000 0.003 0.000 0.812 613 A HN 0.626 nan 8.150 nan 0.000 0.446 614 H N -1.872 117.186 119.070 -0.020 0.000 3.179 614 H HA 0.628 5.183 4.556 -0.001 0.000 0.331 614 H C -1.005 174.338 175.328 0.026 0.000 1.013 614 H CA -0.496 55.561 56.048 0.015 0.000 1.430 614 H CB 0.819 30.579 29.762 -0.003 0.000 1.895 614 H HN 0.470 nan 8.280 nan 0.000 0.468 615 A N 4.080 126.955 122.820 0.093 0.000 2.599 615 A HA 0.508 4.828 4.320 -0.001 0.000 0.294 615 A C -1.227 176.424 177.584 0.111 0.000 1.055 615 A CA -1.018 51.043 52.037 0.040 0.000 0.683 615 A CB 1.322 20.396 19.000 0.124 0.000 1.278 615 A HN 0.517 nan 8.150 nan 0.000 0.412 616 K N 0.869 121.311 120.400 0.070 0.000 2.270 616 K HA 0.481 4.801 4.320 -0.001 0.000 0.276 616 K C -0.730 175.934 176.600 0.107 0.000 1.023 616 K CA 0.106 56.440 56.287 0.078 0.000 0.955 616 K CB 0.884 33.403 32.500 0.032 0.000 0.975 616 K HN 0.520 nan 8.250 nan 0.000 0.471 617 I N 3.466 124.072 120.570 0.061 0.000 2.396 617 I HA -0.008 4.162 4.170 -0.001 0.000 0.289 617 I C 1.440 177.524 176.117 -0.054 0.000 1.056 617 I CA 0.128 61.403 61.300 -0.042 0.000 1.365 617 I CB 0.872 38.839 38.000 -0.054 0.000 1.407 617 I HN 0.685 nan 8.210 nan 0.000 0.509 618 K N 4.201 124.544 120.400 -0.094 0.000 2.121 618 K HA 0.073 4.393 4.320 -0.001 0.000 0.203 618 K C 0.488 177.042 176.600 -0.075 0.000 1.041 618 K CA 0.724 56.974 56.287 -0.062 0.000 0.969 618 K CB 0.423 32.895 32.500 -0.048 0.000 0.799 618 K HN 0.749 nan 8.250 nan 0.000 0.456 619 S N -0.530 115.099 115.700 -0.118 0.000 2.579 619 S HA 0.543 5.013 4.470 -0.001 0.000 0.272 619 S C -0.786 173.721 174.600 -0.156 0.000 1.141 619 S CA -1.047 57.087 58.200 -0.109 0.000 0.843 619 S CB 1.668 64.813 63.200 -0.091 0.000 1.122 619 S HN 0.112 nan 8.310 nan 0.000 0.468 620 I N 1.792 122.277 120.570 -0.141 0.000 2.478 620 I HA 0.424 4.594 4.170 -0.001 0.000 0.287 620 I C -1.513 174.478 176.117 -0.211 0.000 1.042 620 I CA -0.365 60.815 61.300 -0.201 0.000 1.067 620 I CB 1.966 39.847 38.000 -0.197 0.000 1.233 620 I HN 0.721 nan 8.210 nan 0.000 0.431 621 D N 5.797 126.061 120.400 -0.227 0.000 2.408 621 D HA 0.332 4.972 4.640 -0.001 0.000 0.243 621 D C 0.317 176.464 176.300 -0.255 0.000 1.075 621 D CA -0.506 53.375 54.000 -0.198 0.000 0.832 621 D CB 2.178 42.894 40.800 -0.141 0.000 1.162 621 D HN 0.321 nan 8.370 nan 0.000 0.515 622 V N 1.280 121.039 119.914 -0.258 0.000 3.578 622 V HA 0.159 4.279 4.120 -0.001 0.000 0.290 622 V C 1.595 177.525 176.094 -0.274 0.000 1.376 622 V CA 0.284 62.404 62.300 -0.300 0.000 1.083 622 V CB -0.098 31.544 31.823 -0.302 0.000 0.911 622 V HN 0.379 nan 8.190 nan 0.000 0.433 623 S N 1.456 117.035 115.700 -0.203 0.000 2.372 623 S HA -0.233 4.237 4.470 -0.001 0.000 0.227 623 S C 1.912 176.392 174.600 -0.201 0.000 1.044 623 S CA 2.327 60.420 58.200 -0.177 0.000 1.050 623 S CB -0.320 62.807 63.200 -0.123 0.000 0.901 623 S HN 0.724 nan 8.310 nan 0.000 0.447 624 E N 1.131 121.223 120.200 -0.179 0.000 2.106 624 E HA 0.025 4.375 4.350 -0.001 0.000 0.192 624 E C 2.390 178.863 176.600 -0.213 0.000 0.984 624 E CA 0.972 57.279 56.400 -0.156 0.000 0.806 624 E CB -0.531 29.107 29.700 -0.103 0.000 0.750 624 E HN 0.497 nan 8.360 nan 0.000 0.458 625 A N 1.312 123.958 122.820 -0.290 0.000 1.933 625 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 625 A C 2.079 179.184 177.584 -0.798 0.000 1.175 625 A CA 1.478 53.280 52.037 -0.392 0.000 0.628 625 A CB -0.529 18.272 19.000 -0.331 0.000 0.814 625 A HN 0.231 nan 8.150 nan 0.000 0.444 626 Q N -0.421 118.831 119.800 -0.913 0.000 2.291 626 Q HA -0.112 4.228 4.340 -0.001 0.000 0.205 626 Q C 1.524 177.295 176.000 -0.382 0.000 0.970 626 Q CA 1.317 56.571 55.803 -0.914 0.000 0.876 626 Q CB -0.133 28.293 28.738 -0.521 0.000 0.935 626 Q HN 0.647 nan 8.270 nan 0.000 0.455 627 K N 0.132 120.374 120.400 -0.263 0.000 2.459 627 K HA 0.072 4.392 4.320 -0.001 0.000 0.193 627 K C 0.048 176.589 176.600 -0.099 0.000 1.030 627 K CA 0.013 56.219 56.287 -0.136 0.000 1.026 627 K CB 0.497 32.933 32.500 -0.106 0.000 0.809 627 K HN -0.038 nan 8.250 nan 0.000 0.504 628 V N 3.885 123.736 119.914 -0.106 0.000 2.572 628 V HA 0.053 4.173 4.120 -0.001 0.000 0.291 628 V C -2.198 173.842 176.094 -0.090 0.000 1.039 628 V CA -1.738 60.526 62.300 -0.060 0.000 1.055 628 V CB 0.389 32.219 31.823 0.012 0.000 0.969 628 V HN 0.056 nan 8.190 nan 0.000 0.482 629 P HA 0.136 nan 4.420 nan 0.000 0.261 629 P C 0.929 177.952 177.300 -0.463 0.000 1.183 629 P CA 1.455 64.362 63.100 -0.323 0.000 0.761 629 P CB 0.314 31.759 31.700 -0.426 0.000 0.785 630 G N 2.624 111.336 108.800 -0.147 0.000 2.159 630 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.256 630 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.256 630 G C 0.063 175.005 174.900 0.070 0.000 0.977 630 G CA -0.431 44.660 45.100 -0.016 0.000 0.652 630 G HN 0.557 nan 8.290 nan 0.000 0.531 631 F N 1.103 121.023 119.950 -0.050 0.000 2.578 631 F HA 0.426 4.952 4.527 -0.001 0.000 0.376 631 F C 1.294 177.097 175.800 0.005 0.000 1.085 631 F CA 0.747 58.746 58.000 -0.002 0.000 1.260 631 F CB 0.975 39.968 39.000 -0.011 0.000 1.095 631 F HN -0.080 nan 8.300 nan 0.000 0.573 632 V N 4.717 124.206 119.914 -0.709 0.000 2.599 632 V HA 0.069 4.188 4.120 -0.001 0.000 0.237 632 V C 0.460 176.108 176.094 -0.745 0.000 1.081 632 V CA 1.099 63.087 62.300 -0.520 0.000 1.107 632 V CB 0.290 31.915 31.823 -0.329 0.000 0.808 632 V HN 1.016 nan 8.190 nan 0.000 0.486 633 C N -1.955 116.711 119.300 -1.057 0.000 3.312 633 C HA 0.687 5.147 4.460 -0.001 0.000 0.332 633 C C -1.193 173.639 174.990 -0.264 0.000 1.340 633 C CA -1.340 57.361 59.018 -0.528 0.000 1.265 633 C CB 0.801 28.431 27.740 -0.183 0.000 1.563 633 C HN 0.291 nan 8.230 nan 0.000 0.471 634 F N 1.711 121.684 119.950 0.038 0.000 2.421 634 F HA 0.858 5.384 4.527 -0.001 0.000 0.337 634 F C -0.732 175.044 175.800 -0.040 0.000 1.105 634 F CA -1.224 56.808 58.000 0.053 0.000 1.049 634 F CB 0.932 40.014 39.000 0.137 0.000 1.139 634 F HN 0.691 nan 8.300 nan 0.000 0.479 635 L N 5.350 126.007 121.223 -0.944 0.000 2.346 635 L HA 0.728 5.068 4.340 -0.001 0.000 0.274 635 L C -0.415 175.662 176.870 -1.321 0.000 1.007 635 L CA -0.522 53.852 54.840 -0.777 0.000 0.818 635 L CB 1.971 43.812 42.059 -0.363 0.000 1.284 635 L HN 0.791 nan 8.230 nan 0.000 0.424 636 S N 0.740 115.992 115.700 -0.746 0.000 2.752 636 S HA 0.644 5.114 4.470 -0.001 0.000 0.284 636 S C 0.594 175.172 174.600 -0.036 0.000 1.189 636 S CA -0.108 57.715 58.200 -0.629 0.000 0.835 636 S CB 1.267 64.293 63.200 -0.290 0.000 1.192 636 S HN 0.635 nan 8.310 nan 0.000 0.506 637 A N 0.919 123.802 122.820 0.105 0.000 1.948 637 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 637 A C 1.539 179.182 177.584 0.098 0.000 1.177 637 A CA 2.261 54.406 52.037 0.179 0.000 0.636 637 A CB -1.416 17.658 19.000 0.124 0.000 0.815 637 A HN 0.830 nan 8.150 nan 0.000 0.449 638 D N 0.245 120.681 120.400 0.060 0.000 2.265 638 D HA -0.112 4.527 4.640 -0.001 0.000 0.208 638 D C 0.962 177.294 176.300 0.054 0.000 0.977 638 D CA 1.159 55.188 54.000 0.049 0.000 0.871 638 D CB -0.324 40.502 40.800 0.044 0.000 0.925 638 D HN 0.487 nan 8.370 nan 0.000 0.485 639 D N 0.091 120.529 120.400 0.063 0.000 2.323 639 D HA 0.029 4.669 4.640 -0.001 0.000 0.209 639 D C 0.862 177.217 176.300 0.090 0.000 0.973 639 D CA 0.030 54.078 54.000 0.081 0.000 0.874 639 D CB 0.746 41.588 40.800 0.070 0.000 0.930 639 D HN 0.271 nan 8.370 nan 0.000 0.521 640 I N 3.481 124.088 120.570 0.062 0.000 2.517 640 I HA -0.022 4.148 4.170 -0.001 0.000 0.285 640 I C -0.859 175.223 176.117 -0.058 0.000 1.106 640 I CA -1.067 60.224 61.300 -0.016 0.000 1.402 640 I CB 1.142 39.124 38.000 -0.030 0.000 1.399 640 I HN -0.148 nan 8.210 nan 0.000 0.535 641 P HA -0.011 nan 4.420 nan 0.000 0.221 641 P C 1.043 178.267 177.300 -0.127 0.000 1.155 641 P CA 0.901 63.910 63.100 -0.152 0.000 0.812 641 P CB 0.464 31.949 31.700 -0.358 0.000 0.801 642 G N -0.646 108.062 108.800 -0.154 0.000 2.728 642 G HA2 0.201 4.160 3.960 -0.001 0.000 0.223 642 G HA3 0.201 4.160 3.960 -0.001 0.000 0.223 642 G C -0.132 174.716 174.900 -0.087 0.000 1.379 642 G CA 0.399 45.430 45.100 -0.115 0.000 0.870 642 G HN 0.424 nan 8.290 nan 0.000 0.591 643 S N -0.843 114.797 115.700 -0.100 0.000 2.546 643 S HA 0.355 4.825 4.470 -0.001 0.000 0.272 643 S C -0.406 174.132 174.600 -0.104 0.000 1.140 643 S CA -0.588 57.560 58.200 -0.086 0.000 0.920 643 S CB 1.747 64.896 63.200 -0.085 0.000 1.083 643 S HN 0.170 nan 8.310 nan 0.000 0.476 644 N N 2.683 121.335 118.700 -0.079 0.000 2.336 644 N HA 0.087 4.826 4.740 -0.001 0.000 0.189 644 N C -0.064 175.388 175.510 -0.095 0.000 1.113 644 N CA 0.064 53.064 53.050 -0.084 0.000 0.858 644 N CB 0.203 38.671 38.487 -0.032 0.000 0.970 644 N HN 0.845 nan 8.380 nan 0.000 0.471 645 E N -1.080 119.057 120.200 -0.104 0.000 2.174 645 E HA 0.425 4.775 4.350 -0.001 0.000 0.282 645 E C -0.337 176.139 176.600 -0.207 0.000 0.992 645 E CA -0.723 55.608 56.400 -0.116 0.000 0.803 645 E CB 1.725 31.378 29.700 -0.078 0.000 1.090 645 E HN -0.094 nan 8.360 nan 0.000 0.396 646 T N 1.825 116.224 114.554 -0.258 0.000 2.647 646 T HA 0.713 5.062 4.350 -0.001 0.000 0.295 646 T C -0.441 173.980 174.700 -0.466 0.000 1.126 646 T CA 0.253 62.053 62.100 -0.499 0.000 1.040 646 T CB 1.080 69.639 68.868 -0.516 0.000 1.472 646 T HN 1.304 nan 8.240 nan 0.000 0.500 647 G N 0.448 108.807 108.800 -0.735 0.000 2.690 647 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.686 647 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.686 647 G C 0.276 175.134 174.900 -0.070 0.000 1.277 647 G CA -0.111 44.852 45.100 -0.229 0.000 0.799 647 G HN 1.063 nan 8.290 nan 0.000 0.613 648 L N -0.010 121.318 121.223 0.175 0.000 2.079 648 L HA 0.215 4.555 4.340 -0.001 0.000 0.210 648 L C 2.022 178.689 176.870 -0.339 0.000 1.081 648 L CA 2.386 57.243 54.840 0.027 0.000 0.752 648 L CB -0.340 41.682 42.059 -0.062 0.000 0.896 648 L HN 0.552 nan 8.230 nan 0.000 0.433 649 F N -0.945 119.032 119.950 0.045 0.000 2.708 649 F HA 0.282 4.809 4.527 -0.001 0.000 0.300 649 F C 0.907 176.692 175.800 -0.026 0.000 1.118 649 F CA -0.533 57.471 58.000 0.006 0.000 1.307 649 F CB -0.126 38.860 39.000 -0.023 0.000 0.986 649 F HN -0.011 nan 8.300 nan 0.000 0.522 650 N N 1.577 120.294 118.700 0.029 0.000 2.754 650 N HA -0.186 4.554 4.740 -0.001 0.000 0.248 650 N C -0.113 175.398 175.510 0.001 0.000 1.093 650 N CA 1.285 54.315 53.050 -0.032 0.000 0.699 650 N CB -1.085 37.387 38.487 -0.025 0.000 1.016 650 N HN 0.563 nan 8.380 nan 0.000 0.552 651 D N -1.333 119.080 120.400 0.020 0.000 2.513 651 D HA 0.108 4.748 4.640 -0.001 0.000 0.222 651 D C 0.130 176.445 176.300 0.024 0.000 1.210 651 D CA 0.093 54.112 54.000 0.033 0.000 0.825 651 D CB 0.240 41.064 40.800 0.040 0.000 1.037 651 D HN 0.381 nan 8.370 nan 0.000 0.506 652 E N 0.142 120.339 120.200 -0.006 0.000 2.281 652 E HA 0.497 4.846 4.350 -0.001 0.000 0.262 652 E C -0.277 176.321 176.600 -0.003 0.000 0.933 652 E CA -0.938 55.469 56.400 0.011 0.000 0.809 652 E CB 1.644 31.343 29.700 -0.003 0.000 1.242 652 E HN 0.126 nan 8.360 nan 0.000 0.418 653 T N -2.286 112.303 114.554 0.060 0.000 2.929 653 T HA 0.261 4.611 4.350 -0.001 0.000 0.284 653 T C 0.966 175.645 174.700 -0.036 0.000 1.014 653 T CA -0.825 61.288 62.100 0.021 0.000 1.051 653 T CB 1.337 70.251 68.868 0.076 0.000 1.028 653 T HN 0.167 nan 8.240 nan 0.000 0.485 654 V N 0.518 120.346 119.914 -0.142 0.000 2.323 654 V HA 0.183 4.303 4.120 -0.001 0.000 0.244 654 V C 0.323 176.205 176.094 -0.353 0.000 1.041 654 V CA 1.041 63.147 62.300 -0.322 0.000 1.025 654 V CB -0.690 30.856 31.823 -0.463 0.000 0.656 654 V HN 0.857 nan 8.190 nan 0.000 0.451 655 F N -0.707 119.211 119.950 -0.053 0.000 2.536 655 F HA 0.692 5.219 4.527 -0.001 0.000 0.322 655 F C 0.276 176.021 175.800 -0.092 0.000 1.144 655 F CA -0.977 56.976 58.000 -0.078 0.000 0.924 655 F CB 1.245 40.194 39.000 -0.085 0.000 1.181 655 F HN 0.008 nan 8.300 nan 0.000 0.438 656 A N 3.866 126.694 122.820 0.013 0.000 2.511 656 A HA 0.161 4.481 4.320 -0.001 0.000 0.242 656 A C 0.802 178.394 177.584 0.014 0.000 1.069 656 A CA 0.024 52.003 52.037 -0.096 0.000 0.763 656 A CB 0.729 19.494 19.000 -0.390 0.000 1.001 656 A HN 1.015 nan 8.150 nan 0.000 0.498 657 K N 0.467 120.892 120.400 0.041 0.000 2.159 657 K HA -0.009 4.310 4.320 -0.001 0.000 0.210 657 K C 0.830 177.456 176.600 0.043 0.000 1.026 657 K CA 1.258 57.574 56.287 0.047 0.000 0.959 657 K CB 0.060 32.590 32.500 0.051 0.000 0.890 657 K HN 0.799 nan 8.250 nan 0.000 0.459 658 D N -0.717 119.716 120.400 0.055 0.000 2.338 658 D HA -0.024 4.616 4.640 -0.001 0.000 0.208 658 D C 0.263 176.608 176.300 0.075 0.000 0.997 658 D CA 0.314 54.346 54.000 0.053 0.000 0.880 658 D CB 0.579 41.410 40.800 0.051 0.000 0.980 658 D HN 0.220 nan 8.370 nan 0.000 0.509 659 T N -0.685 113.935 114.554 0.111 0.000 2.952 659 T HA 0.531 4.881 4.350 -0.001 0.000 0.305 659 T C -0.555 174.290 174.700 0.241 0.000 1.064 659 T CA -0.998 61.203 62.100 0.167 0.000 1.008 659 T CB 1.758 70.732 68.868 0.176 0.000 1.078 659 T HN 0.138 nan 8.240 nan 0.000 0.459 660 V N 1.901 121.997 119.914 0.304 0.000 2.617 660 V HA 0.814 4.934 4.120 -0.001 0.000 0.298 660 V C 0.820 177.177 176.094 0.439 0.000 1.048 660 V CA -0.003 62.574 62.300 0.462 0.000 0.964 660 V CB 1.071 33.126 31.823 0.387 0.000 1.004 660 V HN 1.178 nan 8.190 nan 0.000 0.466 661 T N -1.117 113.662 114.554 0.374 0.000 3.145 661 T HA 0.417 4.766 4.350 -0.001 0.000 0.281 661 T C 0.200 174.859 174.700 -0.068 0.000 1.003 661 T CA 0.331 62.454 62.100 0.037 0.000 0.901 661 T CB -0.754 68.049 68.868 -0.108 0.000 1.112 661 T HN 1.701 nan 8.240 nan 0.000 0.535 662 C N -0.884 118.429 119.300 0.021 0.000 3.275 662 C HA 0.738 5.198 4.460 -0.001 0.000 0.345 662 C C -0.531 174.513 174.990 0.090 0.000 1.257 662 C CA -1.225 57.801 59.018 0.014 0.000 1.203 662 C CB 0.836 28.549 27.740 -0.045 0.000 1.492 662 C HN 0.154 nan 8.230 nan 0.000 0.484 663 V N 2.718 122.668 119.914 0.060 0.000 2.572 663 V HA 0.542 4.662 4.120 -0.001 0.000 0.291 663 V C 1.563 177.720 176.094 0.106 0.000 1.039 663 V CA 2.215 64.557 62.300 0.070 0.000 1.055 663 V CB 0.432 32.280 31.823 0.042 0.000 0.969 663 V HN 2.331 nan 8.190 nan 0.000 0.482 664 G N 3.015 111.894 108.800 0.132 0.000 2.194 664 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.236 664 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.236 664 G C 0.263 175.288 174.900 0.208 0.000 0.987 664 G CA 0.227 45.414 45.100 0.147 0.000 0.635 664 G HN 0.910 nan 8.290 nan 0.000 0.520 665 H N 0.692 119.824 119.070 0.104 0.000 2.929 665 H HA 0.408 4.964 4.556 -0.001 0.000 0.317 665 H C 0.699 176.113 175.328 0.143 0.000 1.031 665 H CA -0.559 55.558 56.048 0.115 0.000 1.466 665 H CB 0.228 30.061 29.762 0.118 0.000 1.482 665 H HN 0.252 nan 8.280 nan 0.000 0.561 666 I N 7.427 128.135 120.570 0.231 0.000 2.505 666 I HA -0.128 4.042 4.170 -0.001 0.000 0.287 666 I C 0.953 177.119 176.117 0.083 0.000 1.104 666 I CA 0.361 61.762 61.300 0.168 0.000 1.387 666 I CB 0.607 38.748 38.000 0.235 0.000 1.404 666 I HN 0.679 nan 8.210 nan 0.000 0.528 667 I N 4.646 125.264 120.570 0.081 0.000 3.081 667 I HA 0.285 4.455 4.170 -0.001 0.000 0.274 667 I C 1.242 177.272 176.117 -0.145 0.000 1.178 667 I CA 0.266 61.580 61.300 0.024 0.000 1.460 667 I CB 0.128 38.167 38.000 0.065 0.000 1.137 667 I HN 0.749 nan 8.210 nan 0.000 0.443 668 G N 0.275 108.901 108.800 -0.291 0.000 2.490 668 G HA2 0.731 4.690 3.960 -0.001 0.000 0.308 668 G HA3 0.731 4.690 3.960 -0.001 0.000 0.308 668 G C -2.092 172.438 174.900 -0.617 0.000 1.286 668 G CA 0.111 44.577 45.100 -1.056 0.000 0.825 668 G HN 0.186 nan 8.290 nan 0.000 0.479 669 A N -1.093 121.294 122.820 -0.721 0.000 2.547 669 A HA 0.829 5.149 4.320 -0.001 0.000 0.297 669 A C -0.446 177.076 177.584 -0.103 0.000 1.056 669 A CA 0.036 51.957 52.037 -0.193 0.000 0.688 669 A CB 1.367 20.349 19.000 -0.030 0.000 1.282 669 A HN 2.219 nan 8.150 nan 0.000 0.400 670 V N -0.112 119.868 119.914 0.109 0.000 2.617 670 V HA 0.874 4.993 4.120 -0.001 0.000 0.298 670 V C -0.249 175.857 176.094 0.019 0.000 1.048 670 V CA -0.637 61.744 62.300 0.135 0.000 0.964 670 V CB 1.222 33.207 31.823 0.270 0.000 1.004 670 V HN 0.788 nan 8.190 nan 0.000 0.466 671 V N 3.428 123.280 119.914 -0.105 0.000 2.540 671 V HA 0.953 5.072 4.120 -0.001 0.000 0.302 671 V C 0.406 176.414 176.094 -0.143 0.000 1.035 671 V CA 0.341 62.585 62.300 -0.094 0.000 0.873 671 V CB 1.038 32.777 31.823 -0.139 0.000 0.992 671 V HN 1.503 nan 8.190 nan 0.000 0.428 672 A N 2.736 125.569 122.820 0.021 0.000 2.552 672 A HA 0.721 5.040 4.320 -0.001 0.000 0.288 672 A C 0.439 178.135 177.584 0.186 0.000 1.193 672 A CA -0.013 52.069 52.037 0.074 0.000 0.713 672 A CB 1.448 20.553 19.000 0.175 0.000 1.305 672 A HN 0.759 nan 8.150 nan 0.000 0.424 673 D N -0.530 119.997 120.400 0.211 0.000 2.323 673 D HA 0.044 4.683 4.640 -0.001 0.000 0.209 673 D C 0.648 177.135 176.300 0.313 0.000 0.973 673 D CA 1.585 55.739 54.000 0.257 0.000 0.874 673 D CB -0.161 40.755 40.800 0.193 0.000 0.930 673 D HN 0.700 nan 8.370 nan 0.000 0.521 674 T N -4.480 110.163 114.554 0.149 0.000 2.896 674 T HA 0.461 4.811 4.350 -0.001 0.000 0.297 674 T C -2.479 171.972 174.700 -0.415 0.000 1.108 674 T CA -1.632 60.265 62.100 -0.338 0.000 1.004 674 T CB 2.633 71.259 68.868 -0.404 0.000 1.159 674 T HN -0.380 nan 8.240 nan 0.000 0.499 675 P HA 0.046 nan 4.420 nan 0.000 0.219 675 P C 1.051 178.258 177.300 -0.154 0.000 1.150 675 P CA 0.932 63.823 63.100 -0.347 0.000 0.814 675 P CB 0.138 31.613 31.700 -0.376 0.000 0.787 676 E N -1.154 118.912 120.200 -0.224 0.000 2.077 676 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 676 E C 2.091 178.678 176.600 -0.023 0.000 0.989 676 E CA 1.189 57.507 56.400 -0.138 0.000 0.800 676 E CB -0.865 28.701 29.700 -0.223 0.000 0.746 676 E HN 0.391 nan 8.360 nan 0.000 0.452 677 H N -0.317 118.749 119.070 -0.006 0.000 2.389 677 H HA 0.106 4.662 4.556 -0.001 0.000 0.299 677 H C 1.958 177.335 175.328 0.081 0.000 1.081 677 H CA 1.266 57.343 56.048 0.048 0.000 1.345 677 H CB -0.526 29.271 29.762 0.058 0.000 1.393 677 H HN 0.231 nan 8.280 nan 0.000 0.520 678 A N 0.878 123.809 122.820 0.186 0.000 1.930 678 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 678 A C 2.385 180.029 177.584 0.100 0.000 1.175 678 A CA 1.621 53.751 52.037 0.154 0.000 0.627 678 A CB -0.368 18.723 19.000 0.151 0.000 0.815 678 A HN 0.505 nan 8.150 nan 0.000 0.443 679 E N -0.380 119.859 120.200 0.065 0.000 2.058 679 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 679 E C 2.327 178.954 176.600 0.046 0.000 0.997 679 E CA 1.209 57.614 56.400 0.007 0.000 0.801 679 E CB -0.157 29.580 29.700 0.060 0.000 0.746 679 E HN 0.561 nan 8.360 nan 0.000 0.450 680 R N -0.285 120.306 120.500 0.153 0.000 2.073 680 R HA -0.129 4.211 4.340 -0.001 0.000 0.234 680 R C 2.317 178.711 176.300 0.158 0.000 1.134 680 R CA 1.238 57.457 56.100 0.198 0.000 0.952 680 R CB -0.251 30.160 30.300 0.186 0.000 0.850 680 R HN 0.216 nan 8.270 nan 0.000 0.433 681 A N 0.564 123.475 122.820 0.153 0.000 1.902 681 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 681 A C 2.293 179.946 177.584 0.115 0.000 1.181 681 A CA 1.630 53.758 52.037 0.153 0.000 0.623 681 A CB -0.644 18.544 19.000 0.313 0.000 0.818 681 A HN 0.480 nan 8.150 nan 0.000 0.443 682 A N -0.794 122.073 122.820 0.078 0.000 1.933 682 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 682 A C 1.888 179.471 177.584 -0.003 0.000 1.175 682 A CA 1.822 53.872 52.037 0.022 0.000 0.628 682 A CB -0.965 17.999 19.000 -0.060 0.000 0.814 682 A HN 0.740 nan 8.150 nan 0.000 0.444 683 H N -2.198 116.915 119.070 0.073 0.000 2.491 683 H HA 0.044 4.599 4.556 -0.001 0.000 0.290 683 H C 1.474 176.819 175.328 0.027 0.000 1.050 683 H CA 1.029 57.109 56.048 0.053 0.000 1.309 683 H CB 0.238 30.030 29.762 0.051 0.000 1.392 683 H HN 0.290 nan 8.280 nan 0.000 0.554 684 V N 1.049 121.035 119.914 0.120 0.000 3.542 684 V HA 0.043 4.163 4.120 -0.001 0.000 0.296 684 V C 0.009 176.086 176.094 -0.030 0.000 1.364 684 V CA 0.094 62.417 62.300 0.039 0.000 1.118 684 V CB 0.176 32.012 31.823 0.021 0.000 0.972 684 V HN 0.039 nan 8.190 nan 0.000 0.430 685 V N 1.827 121.719 119.914 -0.036 0.000 2.521 685 V HA 0.224 4.344 4.120 -0.001 0.000 0.286 685 V C 0.173 176.205 176.094 -0.103 0.000 1.034 685 V CA -0.151 62.071 62.300 -0.130 0.000 1.045 685 V CB 1.140 32.861 31.823 -0.171 0.000 0.974 685 V HN 0.295 nan 8.190 nan 0.000 0.480 686 K N 4.094 124.407 120.400 -0.145 0.000 2.293 686 K HA 0.584 4.904 4.320 -0.001 0.000 0.267 686 K C -0.884 175.625 176.600 -0.152 0.000 1.010 686 K CA -0.208 56.016 56.287 -0.104 0.000 0.875 686 K CB 1.647 34.089 32.500 -0.096 0.000 1.106 686 K HN 0.462 nan 8.250 nan 0.000 0.450 687 V N 2.482 122.305 119.914 -0.151 0.000 2.547 687 V HA 0.481 4.601 4.120 -0.001 0.000 0.299 687 V C -0.093 175.778 176.094 -0.371 0.000 1.040 687 V CA -0.795 61.315 62.300 -0.318 0.000 0.913 687 V CB 2.082 33.624 31.823 -0.468 0.000 0.992 687 V HN 0.701 nan 8.190 nan 0.000 0.449 688 T N 4.127 118.452 114.554 -0.381 0.000 2.794 688 T HA 0.670 5.020 4.350 -0.001 0.000 0.280 688 T C -1.038 173.458 174.700 -0.340 0.000 0.987 688 T CA -0.107 61.847 62.100 -0.245 0.000 0.993 688 T CB 0.617 69.417 68.868 -0.112 0.000 0.939 688 T HN 0.452 nan 8.240 nan 0.000 0.449 689 Y N 0.907 121.208 120.300 0.001 0.000 2.549 689 Y HA 0.536 5.085 4.550 -0.001 0.000 0.339 689 Y C 0.520 176.417 175.900 -0.005 0.000 1.053 689 Y CA -1.239 56.863 58.100 0.003 0.000 1.105 689 Y CB 1.471 39.939 38.460 0.012 0.000 1.258 689 Y HN 0.523 nan 8.280 nan 0.000 0.478 690 E N 1.766 122.064 120.200 0.163 0.000 2.186 690 E HA 0.197 4.547 4.350 -0.001 0.000 0.255 690 E C -1.480 175.148 176.600 0.048 0.000 0.881 690 E CA -0.844 55.603 56.400 0.078 0.000 0.752 690 E CB 0.628 30.348 29.700 0.033 0.000 1.176 690 E HN 0.563 nan 8.360 nan 0.000 0.421 691 D N 3.587 124.002 120.400 0.024 0.000 2.488 691 D HA 0.117 4.757 4.640 -0.001 0.000 0.238 691 D C -0.152 176.101 176.300 -0.078 0.000 1.138 691 D CA 0.643 54.626 54.000 -0.028 0.000 0.873 691 D CB 0.657 41.442 40.800 -0.026 0.000 1.183 691 D HN 0.389 nan 8.370 nan 0.000 0.458 692 L N 3.423 124.547 121.223 -0.164 0.000 2.303 692 L HA 0.470 4.810 4.340 -0.001 0.000 0.266 692 L C -2.124 174.668 176.870 -0.130 0.000 1.011 692 L CA -1.943 52.745 54.840 -0.252 0.000 0.818 692 L CB 1.820 43.494 42.059 -0.640 0.000 1.326 692 L HN 0.227 nan 8.230 nan 0.000 0.435 693 P HA 0.240 nan 4.420 nan 0.000 0.276 693 P C -1.264 176.141 177.300 0.175 0.000 1.230 693 P CA -0.240 62.886 63.100 0.044 0.000 0.776 693 P CB 1.286 33.001 31.700 0.025 0.000 0.888 694 A N 3.715 126.597 122.820 0.104 0.000 2.337 694 A HA 0.745 5.065 4.320 -0.001 0.000 0.331 694 A C -0.377 177.200 177.584 -0.012 0.000 1.137 694 A CA -0.909 51.175 52.037 0.078 0.000 0.807 694 A CB 0.801 19.831 19.000 0.051 0.000 1.250 694 A HN 0.515 nan 8.150 nan 0.000 0.468 695 I N 2.054 122.583 120.570 -0.069 0.000 2.410 695 I HA 0.322 4.491 4.170 -0.001 0.000 0.286 695 I C -0.204 175.843 176.117 -0.116 0.000 1.009 695 I CA 0.067 61.307 61.300 -0.100 0.000 1.111 695 I CB 1.642 39.560 38.000 -0.137 0.000 1.262 695 I HN 0.690 nan 8.210 nan 0.000 0.443 696 I N 2.907 123.411 120.570 -0.110 0.000 3.673 696 I HA 0.033 4.203 4.170 -0.001 0.000 0.281 696 I C 1.136 177.171 176.117 -0.137 0.000 1.182 696 I CA 0.485 61.705 61.300 -0.134 0.000 1.391 696 I CB 0.634 38.558 38.000 -0.126 0.000 1.383 696 I HN 0.586 nan 8.210 nan 0.000 0.456 697 T N -1.199 113.290 114.554 -0.108 0.000 2.918 697 T HA 0.378 4.728 4.350 -0.001 0.000 0.283 697 T C 1.286 175.944 174.700 -0.070 0.000 1.001 697 T CA -0.462 61.584 62.100 -0.090 0.000 1.041 697 T CB 1.448 70.262 68.868 -0.090 0.000 1.028 697 T HN 0.065 nan 8.240 nan 0.000 0.511 698 I N 0.867 121.423 120.570 -0.023 0.000 2.208 698 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 698 I C 2.482 178.558 176.117 -0.068 0.000 1.097 698 I CA 1.555 62.854 61.300 -0.001 0.000 1.363 698 I CB -0.378 37.677 38.000 0.092 0.000 1.051 698 I HN 0.716 nan 8.210 nan 0.000 0.413 699 E N 0.911 121.062 120.200 -0.082 0.000 2.038 699 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 699 E C 1.791 178.329 176.600 -0.103 0.000 1.000 699 E CA 1.432 57.772 56.400 -0.101 0.000 0.803 699 E CB -0.479 29.170 29.700 -0.086 0.000 0.750 699 E HN 0.407 nan 8.360 nan 0.000 0.448 700 D N 0.266 120.607 120.400 -0.098 0.000 2.133 700 D HA -0.182 4.458 4.640 -0.001 0.000 0.195 700 D C 1.842 178.054 176.300 -0.146 0.000 0.997 700 D CA 1.754 55.690 54.000 -0.106 0.000 0.840 700 D CB -0.427 40.314 40.800 -0.098 0.000 0.947 700 D HN 0.241 nan 8.370 nan 0.000 0.452 701 A N 0.509 123.230 122.820 -0.164 0.000 1.898 701 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 701 A C 2.416 179.778 177.584 -0.370 0.000 1.181 701 A CA 0.861 52.742 52.037 -0.260 0.000 0.620 701 A CB -0.664 18.214 19.000 -0.204 0.000 0.819 701 A HN 0.194 nan 8.150 nan 0.000 0.442 702 I N -0.425 120.023 120.570 -0.204 0.000 2.179 702 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 702 I C 2.532 178.574 176.117 -0.126 0.000 1.088 702 I CA 1.690 62.927 61.300 -0.105 0.000 1.357 702 I CB -0.211 37.722 38.000 -0.113 0.000 1.051 702 I HN 0.317 nan 8.210 nan 0.000 0.409 703 K N 0.900 121.225 120.400 -0.125 0.000 2.280 703 K HA -0.155 4.165 4.320 -0.001 0.000 0.202 703 K C 1.105 177.636 176.600 -0.114 0.000 1.047 703 K CA 1.267 57.497 56.287 -0.095 0.000 0.942 703 K CB -0.029 32.422 32.500 -0.082 0.000 0.739 703 K HN 0.401 nan 8.250 nan 0.000 0.457 704 N N 0.987 119.578 118.700 -0.181 0.000 2.203 704 N HA 0.008 4.748 4.740 -0.001 0.000 0.207 704 N C -0.744 174.607 175.510 -0.266 0.000 1.130 704 N CA 0.058 52.996 53.050 -0.187 0.000 0.861 704 N CB 0.305 38.686 38.487 -0.177 0.000 1.005 704 N HN 0.181 nan 8.380 nan 0.000 0.507 705 N N 0.318 118.789 118.700 -0.382 0.000 2.721 705 N HA -0.181 4.559 4.740 -0.001 0.000 0.249 705 N C -0.635 174.425 175.510 -0.750 0.000 1.072 705 N CA 0.448 53.169 53.050 -0.549 0.000 0.710 705 N CB -1.108 37.310 38.487 -0.116 0.000 0.993 705 N HN 0.013 nan 8.380 nan 0.000 0.547 706 S N 0.586 115.748 115.700 -0.897 0.000 3.363 706 S HA 0.480 4.949 4.470 -0.001 0.000 0.267 706 S C -0.546 173.619 174.600 -0.725 0.000 1.288 706 S CA -0.577 57.253 58.200 -0.618 0.000 0.948 706 S CB -0.265 62.678 63.200 -0.429 0.000 1.397 706 S HN 0.293 nan 8.310 nan 0.000 0.493 707 F N 2.175 122.014 119.950 -0.185 0.000 2.579 707 F HA 0.468 4.995 4.527 -0.001 0.000 0.324 707 F C -0.356 175.299 175.800 -0.241 0.000 1.058 707 F CA -1.382 56.503 58.000 -0.192 0.000 0.944 707 F CB 1.247 40.215 39.000 -0.054 0.000 1.245 707 F HN 0.266 nan 8.300 nan 0.000 0.477 708 Y N 1.312 121.725 120.300 0.189 0.000 2.350 708 Y HA 0.468 5.017 4.550 -0.001 0.000 0.340 708 Y C 0.903 176.837 175.900 0.056 0.000 1.006 708 Y CA 0.118 58.263 58.100 0.075 0.000 1.166 708 Y CB 0.801 39.275 38.460 0.023 0.000 1.168 708 Y HN 0.905 nan 8.280 nan 0.000 0.502 709 G N 2.200 111.113 108.800 0.189 0.000 2.601 709 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.252 709 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.252 709 G C -0.346 174.594 174.900 0.067 0.000 1.294 709 G CA -0.288 44.868 45.100 0.094 0.000 0.912 709 G HN 0.957 nan 8.290 nan 0.000 0.574 710 S N -1.052 114.661 115.700 0.021 0.000 2.759 710 S HA 0.681 5.150 4.470 -0.001 0.000 0.310 710 S C 0.031 174.581 174.600 -0.084 0.000 1.123 710 S CA 0.342 58.529 58.200 -0.022 0.000 0.959 710 S CB 1.994 65.188 63.200 -0.011 0.000 1.172 710 S HN 1.195 nan 8.310 nan 0.000 0.539 711 E N 0.226 120.354 120.200 -0.121 0.000 2.465 711 E HA 0.110 4.460 4.350 -0.001 0.000 0.260 711 E C -0.980 175.536 176.600 -0.140 0.000 0.980 711 E CA -0.129 56.174 56.400 -0.163 0.000 0.927 711 E CB 0.194 29.810 29.700 -0.140 0.000 0.934 711 E HN 0.492 nan 8.360 nan 0.000 0.459 712 L N 4.592 125.702 121.223 -0.188 0.000 2.357 712 L HA 0.429 4.769 4.340 -0.001 0.000 0.273 712 L C 0.130 176.947 176.870 -0.089 0.000 1.080 712 L CA -0.259 54.453 54.840 -0.214 0.000 0.803 712 L CB 1.077 42.925 42.059 -0.352 0.000 1.174 712 L HN 0.558 nan 8.230 nan 0.000 0.443 713 K N 3.078 123.494 120.400 0.026 0.000 2.550 713 K HA 0.566 4.886 4.320 -0.001 0.000 0.252 713 K C -1.751 175.008 176.600 0.265 0.000 0.943 713 K CA -0.463 55.896 56.287 0.120 0.000 0.806 713 K CB 1.744 34.295 32.500 0.086 0.000 1.289 713 K HN 0.463 nan 8.250 nan 0.000 0.435 714 I N 2.953 123.659 120.570 0.227 0.000 2.436 714 I HA 0.351 4.521 4.170 -0.001 0.000 0.289 714 I C -0.792 175.452 176.117 0.211 0.000 1.010 714 I CA -0.615 60.830 61.300 0.241 0.000 1.098 714 I CB 2.031 40.175 38.000 0.239 0.000 1.266 714 I HN 0.635 nan 8.210 nan 0.000 0.434 715 E N 6.971 127.280 120.200 0.182 0.000 2.272 715 E HA 0.552 4.901 4.350 -0.001 0.000 0.269 715 E C -1.464 175.213 176.600 0.128 0.000 0.877 715 E CA -0.842 55.643 56.400 0.142 0.000 0.755 715 E CB 2.409 32.174 29.700 0.108 0.000 1.192 715 E HN 0.513 nan 8.360 nan 0.000 0.422 716 K N 2.983 123.448 120.400 0.109 0.000 2.502 716 K HA 0.634 4.954 4.320 -0.001 0.000 0.257 716 K C -0.267 176.359 176.600 0.043 0.000 0.938 716 K CA 0.113 56.450 56.287 0.083 0.000 0.819 716 K CB 1.672 34.236 32.500 0.107 0.000 1.333 716 K HN 0.772 nan 8.250 nan 0.000 0.434 717 G N 2.121 110.936 108.800 0.025 0.000 2.584 717 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.229 717 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.229 717 G C -1.354 173.546 174.900 0.001 0.000 1.320 717 G CA 0.049 45.150 45.100 0.001 0.000 0.891 717 G HN 0.680 nan 8.290 nan 0.000 0.573 718 D N 0.265 120.656 120.400 -0.016 0.000 2.462 718 D HA 0.515 5.154 4.640 -0.001 0.000 0.245 718 D C 1.551 177.839 176.300 -0.020 0.000 1.122 718 D CA -0.544 53.452 54.000 -0.007 0.000 0.864 718 D CB 1.057 41.854 40.800 -0.006 0.000 1.098 718 D HN 0.333 nan 8.370 nan 0.000 0.541 719 L N 2.453 123.681 121.223 0.009 0.000 2.044 719 L HA -0.008 4.332 4.340 -0.001 0.000 0.205 719 L C 1.280 178.211 176.870 0.103 0.000 1.075 719 L CA 0.770 55.626 54.840 0.027 0.000 0.747 719 L CB 0.066 42.191 42.059 0.110 0.000 0.903 719 L HN 0.150 nan 8.230 nan 0.000 0.435 720 K N 0.815 121.276 120.400 0.101 0.000 2.737 720 K HA 0.006 4.325 4.320 -0.001 0.000 0.251 720 K C 0.237 176.868 176.600 0.051 0.000 1.280 720 K CA 0.370 56.715 56.287 0.097 0.000 1.219 720 K CB 0.479 33.019 32.500 0.066 0.000 1.587 720 K HN 0.131 nan 8.250 nan 0.000 0.279 721 K N -1.569 118.850 120.400 0.032 0.000 2.954 721 K HA 0.052 4.372 4.320 -0.001 0.000 0.181 721 K C 1.584 178.167 176.600 -0.028 0.000 2.022 721 K CA 0.814 57.102 56.287 0.001 0.000 1.440 721 K CB -0.595 31.897 32.500 -0.013 0.000 2.298 721 K HN 0.188 nan 8.250 nan 0.000 0.597 722 G N 0.596 109.345 108.800 -0.085 0.000 2.459 722 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 722 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 722 G C 1.383 176.169 174.900 -0.191 0.000 1.183 722 G CA 1.236 46.222 45.100 -0.190 0.000 0.776 722 G HN 0.227 nan 8.290 nan 0.000 0.552 723 F N 1.774 121.692 119.950 -0.054 0.000 2.186 723 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 723 F C 3.214 178.975 175.800 -0.065 0.000 1.090 723 F CA 1.257 59.217 58.000 -0.066 0.000 1.307 723 F CB -0.067 38.897 39.000 -0.059 0.000 1.019 723 F HN 0.278 nan 8.300 nan 0.000 0.489 724 S N -0.473 115.303 115.700 0.127 0.000 2.420 724 S HA -0.273 4.196 4.470 -0.001 0.000 0.237 724 S C 1.759 176.369 174.600 0.016 0.000 1.023 724 S CA 1.736 59.968 58.200 0.053 0.000 0.991 724 S CB -0.432 62.788 63.200 0.032 0.000 0.792 724 S HN 0.588 nan 8.310 nan 0.000 0.488 725 E N 0.699 120.897 120.200 -0.004 0.000 2.389 725 E HA 0.346 4.696 4.350 -0.001 0.000 0.199 725 E C 0.600 177.172 176.600 -0.046 0.000 0.978 725 E CA 0.220 56.602 56.400 -0.030 0.000 0.912 725 E CB 0.292 29.965 29.700 -0.045 0.000 0.907 725 E HN 0.665 nan 8.360 nan 0.000 0.494 726 A N 1.887 124.676 122.820 -0.052 0.000 2.492 726 A HA -0.019 4.300 4.320 -0.001 0.000 0.254 726 A C 0.540 178.052 177.584 -0.121 0.000 1.091 726 A CA -0.148 51.832 52.037 -0.096 0.000 0.768 726 A CB 0.252 19.194 19.000 -0.097 0.000 1.028 726 A HN 0.138 nan 8.150 nan 0.000 0.498 727 D N 1.015 121.329 120.400 -0.143 0.000 2.116 727 D HA -0.102 4.538 4.640 -0.001 0.000 0.193 727 D C 0.601 176.758 176.300 -0.238 0.000 0.998 727 D CA 1.646 55.558 54.000 -0.146 0.000 0.836 727 D CB 0.154 40.895 40.800 -0.099 0.000 0.951 727 D HN 0.589 nan 8.370 nan 0.000 0.449 728 N N -1.266 117.134 118.700 -0.499 0.000 2.697 728 N HA 0.385 5.125 4.740 -0.001 0.000 0.272 728 N C -1.514 173.517 175.510 -0.799 0.000 1.381 728 N CA -0.558 52.118 53.050 -0.623 0.000 0.797 728 N CB 2.381 40.491 38.487 -0.628 0.000 1.523 728 N HN -0.282 nan 8.380 nan 0.000 0.518 729 V N 0.519 120.175 119.914 -0.430 0.000 2.962 729 V HA 0.618 4.737 4.120 -0.001 0.000 0.313 729 V C -0.629 175.553 176.094 0.146 0.000 1.099 729 V CA -0.701 61.519 62.300 -0.134 0.000 0.971 729 V CB 2.239 34.035 31.823 -0.044 0.000 1.028 729 V HN 0.374 nan 8.190 nan 0.000 0.430 730 V N 2.553 122.687 119.914 0.366 0.000 2.588 730 V HA 0.783 4.903 4.120 -0.001 0.000 0.304 730 V C -0.204 175.985 176.094 0.158 0.000 1.042 730 V CA -0.275 62.204 62.300 0.298 0.000 0.877 730 V CB 2.127 34.185 31.823 0.392 0.000 0.996 730 V HN 1.031 nan 8.190 nan 0.000 0.425 731 S N 3.061 118.764 115.700 0.005 0.000 2.599 731 S HA 1.025 5.494 4.470 -0.001 0.000 0.287 731 S C -0.360 173.999 174.600 -0.402 0.000 1.105 731 S CA 0.094 58.158 58.200 -0.227 0.000 0.899 731 S CB 2.405 65.500 63.200 -0.175 0.000 1.100 731 S HN 1.608 nan 8.310 nan 0.000 0.482 732 G N 0.420 108.703 108.800 -0.862 0.000 2.341 732 G HA2 0.492 4.451 3.960 -0.001 0.000 0.299 732 G HA3 0.492 4.451 3.960 -0.001 0.000 0.299 732 G C -2.103 172.490 174.900 -0.512 0.000 1.274 732 G CA -0.609 44.140 45.100 -0.585 0.000 0.853 732 G HN 0.915 nan 8.290 nan 0.000 0.493 733 E N -0.983 119.198 120.200 -0.033 0.000 2.292 733 E HA 0.643 4.993 4.350 -0.001 0.000 0.272 733 E C -1.993 174.823 176.600 0.360 0.000 0.881 733 E CA -0.742 55.767 56.400 0.181 0.000 0.754 733 E CB 2.497 32.268 29.700 0.118 0.000 1.201 733 E HN 0.493 nan 8.360 nan 0.000 0.425 734 L N 4.365 125.848 121.223 0.433 0.000 2.401 734 L HA 0.527 4.866 4.340 -0.001 0.000 0.266 734 L C -1.951 175.180 176.870 0.435 0.000 0.991 734 L CA -0.651 54.438 54.840 0.416 0.000 0.818 734 L CB 1.710 43.999 42.059 0.382 0.000 1.321 734 L HN 0.633 nan 8.230 nan 0.000 0.413 735 Y N 4.946 125.413 120.300 0.278 0.000 2.429 735 Y HA 0.719 5.269 4.550 -0.001 0.000 0.342 735 Y C -1.223 174.823 175.900 0.243 0.000 1.004 735 Y CA -0.904 57.347 58.100 0.253 0.000 1.075 735 Y CB 1.707 40.286 38.460 0.198 0.000 1.214 735 Y HN 0.620 nan 8.280 nan 0.000 0.455 736 I N 5.480 125.813 120.570 -0.394 0.000 2.447 736 I HA 0.652 4.821 4.170 -0.001 0.000 0.287 736 I C 0.007 175.701 176.117 -0.704 0.000 1.023 736 I CA -0.514 60.548 61.300 -0.396 0.000 1.083 736 I CB 1.095 38.968 38.000 -0.213 0.000 1.245 736 I HN 0.839 nan 8.210 nan 0.000 0.434 737 G N 4.472 113.011 108.800 -0.434 0.000 2.636 737 G HA2 0.437 4.397 3.960 -0.001 0.000 0.246 737 G HA3 0.437 4.397 3.960 -0.001 0.000 0.246 737 G C 0.379 175.201 174.900 -0.129 0.000 1.216 737 G CA 0.033 45.025 45.100 -0.180 0.000 0.854 737 G HN 0.873 nan 8.290 nan 0.000 0.572 738 G N -1.357 107.447 108.800 0.007 0.000 2.486 738 G HA2 0.488 4.448 3.960 -0.001 0.000 0.272 738 G HA3 0.488 4.448 3.960 -0.001 0.000 0.272 738 G C -0.208 174.679 174.900 -0.021 0.000 1.426 738 G CA -0.182 44.923 45.100 0.007 0.000 1.058 738 G HN 0.736 nan 8.290 nan 0.000 0.531 739 Q N -1.443 118.358 119.800 0.003 0.000 2.438 739 Q HA 0.270 4.610 4.340 -0.001 0.000 0.272 739 Q C -2.132 173.973 176.000 0.174 0.000 0.994 739 Q CA -0.644 55.182 55.803 0.038 0.000 0.887 739 Q CB 2.368 30.881 28.738 -0.374 0.000 1.432 739 Q HN 0.623 nan 8.270 nan 0.000 0.392 740 D N -0.304 120.191 120.400 0.158 0.000 2.193 740 D HA 0.234 4.874 4.640 -0.001 0.000 0.249 740 D C 0.445 176.814 176.300 0.114 0.000 1.034 740 D CA -0.033 53.953 54.000 -0.023 0.000 0.902 740 D CB 0.965 41.544 40.800 -0.370 0.000 1.182 740 D HN 0.590 nan 8.370 nan 0.000 0.436 741 H N 2.471 121.440 119.070 -0.168 0.000 2.389 741 H HA 0.038 4.594 4.556 -0.001 0.000 0.299 741 H C 0.415 175.540 175.328 -0.338 0.000 1.081 741 H CA 0.911 56.614 56.048 -0.575 0.000 1.345 741 H CB -0.160 29.104 29.762 -0.830 0.000 1.393 741 H HN 0.496 nan 8.280 nan 0.000 0.520 742 F N 0.648 120.329 119.950 -0.450 0.000 3.048 742 F HA -0.289 4.237 4.527 -0.001 0.000 0.269 742 F C -0.685 175.026 175.800 -0.148 0.000 0.960 742 F CA -0.535 57.307 58.000 -0.264 0.000 0.909 742 F CB -1.724 37.269 39.000 -0.012 0.000 0.837 742 F HN 0.143 nan 8.300 nan 0.000 0.768 743 Y N -0.631 119.823 120.300 0.258 0.000 2.811 743 Y HA 0.061 4.611 4.550 -0.001 0.000 0.334 743 Y C 1.175 177.144 175.900 0.115 0.000 1.247 743 Y CA -0.948 57.334 58.100 0.303 0.000 1.526 743 Y CB 0.011 38.550 38.460 0.131 0.000 1.284 743 Y HN 0.086 nan 8.280 nan 0.000 0.586 744 L N 1.157 122.573 121.223 0.323 0.000 2.083 744 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 744 L C 1.136 178.050 176.870 0.073 0.000 1.083 744 L CA 1.466 56.411 54.840 0.175 0.000 0.752 744 L CB -0.610 41.533 42.059 0.140 0.000 0.899 744 L HN 0.859 nan 8.230 nan 0.000 0.433 745 E N 0.795 121.022 120.200 0.044 0.000 2.167 745 E HA 0.144 4.494 4.350 -0.001 0.000 0.284 745 E C 0.030 176.601 176.600 -0.048 0.000 1.016 745 E CA -0.262 56.110 56.400 -0.046 0.000 0.817 745 E CB 1.059 30.681 29.700 -0.129 0.000 1.080 745 E HN 0.256 nan 8.360 nan 0.000 0.397 746 T N 1.561 116.102 114.554 -0.021 0.000 2.689 746 T HA 0.103 4.453 4.350 -0.001 0.000 0.308 746 T C 0.621 175.203 174.700 -0.197 0.000 1.021 746 T CA -0.479 61.602 62.100 -0.031 0.000 0.973 746 T CB 0.378 69.292 68.868 0.077 0.000 1.113 746 T HN 0.450 nan 8.240 nan 0.000 0.522 747 H N -1.078 117.922 119.070 -0.117 0.000 2.732 747 H HA 0.407 4.963 4.556 -0.001 0.000 0.351 747 H C -0.287 175.015 175.328 -0.044 0.000 1.090 747 H CA -0.040 55.930 56.048 -0.129 0.000 1.431 747 H CB 0.781 30.500 29.762 -0.073 0.000 1.447 747 H HN 0.677 nan 8.280 nan 0.000 0.582 748 C N 2.796 122.144 119.300 0.080 0.000 2.931 748 C HA 0.372 4.831 4.460 -0.001 0.000 0.370 748 C C -0.695 174.341 174.990 0.078 0.000 1.071 748 C CA -0.202 58.860 59.018 0.074 0.000 1.266 748 C CB 1.037 28.810 27.740 0.055 0.000 1.691 748 C HN 0.879 nan 8.230 nan 0.000 0.511 749 T N 5.950 120.554 114.554 0.084 0.000 2.952 749 T HA 0.572 4.922 4.350 -0.001 0.000 0.305 749 T C -0.944 173.812 174.700 0.094 0.000 1.064 749 T CA -0.199 61.952 62.100 0.084 0.000 1.008 749 T CB 1.135 70.039 68.868 0.059 0.000 1.078 749 T HN 0.553 nan 8.240 nan 0.000 0.459 750 I N 2.420 123.073 120.570 0.139 0.000 2.377 750 I HA 0.703 4.872 4.170 -0.001 0.000 0.293 750 I C 0.106 176.308 176.117 0.141 0.000 0.987 750 I CA -0.844 60.550 61.300 0.157 0.000 1.185 750 I CB 1.545 39.700 38.000 0.259 0.000 1.341 750 I HN 0.682 nan 8.210 nan 0.000 0.455 751 A N 7.631 130.505 122.820 0.091 0.000 2.330 751 A HA 0.799 5.118 4.320 -0.001 0.000 0.313 751 A C -0.692 176.932 177.584 0.067 0.000 1.124 751 A CA -0.438 51.628 52.037 0.049 0.000 0.774 751 A CB 0.611 19.627 19.000 0.027 0.000 1.198 751 A HN 0.675 nan 8.150 nan 0.000 0.465 752 I N 4.754 125.357 120.570 0.054 0.000 2.359 752 I HA 0.317 4.487 4.170 -0.001 0.000 0.284 752 I C -2.229 173.881 176.117 -0.012 0.000 1.018 752 I CA -2.088 59.240 61.300 0.046 0.000 1.173 752 I CB 2.086 40.159 38.000 0.122 0.000 1.326 752 I HN 0.413 nan 8.210 nan 0.000 0.462 753 P HA 0.169 nan 4.420 nan 0.000 0.281 753 P C -0.232 177.032 177.300 -0.061 0.000 1.252 753 P CA -0.506 62.577 63.100 -0.028 0.000 0.778 753 P CB 1.314 33.000 31.700 -0.024 0.000 0.895 754 K N 2.338 122.710 120.400 -0.045 0.000 2.243 754 K HA 0.074 4.393 4.320 -0.001 0.000 0.201 754 K C 1.545 178.108 176.600 -0.061 0.000 1.051 754 K CA 1.049 57.303 56.287 -0.056 0.000 0.970 754 K CB -0.775 31.703 32.500 -0.037 0.000 0.755 754 K HN 0.823 nan 8.250 nan 0.000 0.465 755 G N 1.394 110.164 108.800 -0.051 0.000 2.175 755 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.244 755 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.244 755 G C -0.317 174.562 174.900 -0.035 0.000 0.982 755 G CA -0.019 45.048 45.100 -0.054 0.000 0.641 755 G HN 0.368 nan 8.290 nan 0.000 0.527 756 E N 0.342 120.527 120.200 -0.024 0.000 2.218 756 E HA 0.501 4.850 4.350 -0.001 0.000 0.263 756 E C 0.195 176.792 176.600 -0.005 0.000 0.879 756 E CA -0.803 55.588 56.400 -0.015 0.000 0.762 756 E CB 1.117 30.806 29.700 -0.017 0.000 1.166 756 E HN 0.162 nan 8.360 nan 0.000 0.415 757 E N 1.292 121.493 120.200 0.001 0.000 2.883 757 E HA -0.277 4.072 4.350 -0.001 0.000 0.271 757 E C 0.665 177.274 176.600 0.015 0.000 1.049 757 E CA 1.114 57.518 56.400 0.007 0.000 0.817 757 E CB -1.380 28.320 29.700 -0.000 0.000 1.407 757 E HN 1.142 nan 8.360 nan 0.000 0.434 758 G N 0.256 109.074 108.800 0.030 0.000 2.155 758 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.257 758 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.257 758 G C 0.088 175.004 174.900 0.026 0.000 0.983 758 G CA 0.711 45.840 45.100 0.049 0.000 0.676 758 G HN 0.382 nan 8.290 nan 0.000 0.528 759 E N -0.387 119.817 120.200 0.007 0.000 2.384 759 E HA 0.484 4.834 4.350 -0.001 0.000 0.266 759 E C 0.343 176.937 176.600 -0.011 0.000 1.012 759 E CA 0.378 56.773 56.400 -0.008 0.000 0.901 759 E CB 0.696 30.387 29.700 -0.014 0.000 0.967 759 E HN 0.444 nan 8.360 nan 0.000 0.435 760 M N 2.468 122.053 119.600 -0.025 0.000 2.371 760 M HA 0.221 4.701 4.480 -0.001 0.000 0.287 760 M C -1.610 174.644 176.300 -0.078 0.000 1.149 760 M CA -0.446 54.833 55.300 -0.035 0.000 0.929 760 M CB 2.218 34.807 32.600 -0.018 0.000 1.683 760 M HN 0.426 nan 8.290 nan 0.000 0.470 761 E N 3.688 123.822 120.200 -0.110 0.000 2.187 761 E HA 0.641 4.991 4.350 -0.001 0.000 0.268 761 E C -2.067 174.327 176.600 -0.344 0.000 0.896 761 E CA -0.624 55.637 56.400 -0.232 0.000 0.766 761 E CB 1.618 31.190 29.700 -0.214 0.000 1.142 761 E HN 0.621 nan 8.360 nan 0.000 0.408 762 L N 4.638 125.587 121.223 -0.456 0.000 2.362 762 L HA 0.472 4.811 4.340 -0.001 0.000 0.275 762 L C -1.176 175.357 176.870 -0.562 0.000 0.998 762 L CA -0.401 54.221 54.840 -0.364 0.000 0.820 762 L CB 1.311 43.273 42.059 -0.162 0.000 1.270 762 L HN 0.540 nan 8.230 nan 0.000 0.415 763 F N 3.511 123.469 119.950 0.013 0.000 2.388 763 F HA 0.681 5.208 4.527 -0.001 0.000 0.358 763 F C 0.005 175.808 175.800 0.004 0.000 1.122 763 F CA -0.991 57.013 58.000 0.006 0.000 1.056 763 F CB 1.631 40.637 39.000 0.010 0.000 1.155 763 F HN 0.159 nan 8.300 nan 0.000 0.461 764 V N -0.184 119.808 119.914 0.131 0.000 2.733 764 V HA 0.503 4.622 4.120 -0.001 0.000 0.306 764 V C -0.386 175.731 176.094 0.038 0.000 1.084 764 V CA -0.841 61.498 62.300 0.064 0.000 0.905 764 V CB 1.492 33.324 31.823 0.016 0.000 1.010 764 V HN 0.629 nan 8.190 nan 0.000 0.424 765 S N 3.125 118.835 115.700 0.016 0.000 3.530 765 S HA 0.516 4.985 4.470 -0.001 0.000 0.279 765 S C 0.027 174.578 174.600 -0.083 0.000 1.280 765 S CA 0.367 58.540 58.200 -0.045 0.000 0.946 765 S CB -0.806 62.340 63.200 -0.091 0.000 1.501 765 S HN 1.265 nan 8.310 nan 0.000 0.498 766 T N 2.996 117.514 114.554 -0.061 0.000 2.916 766 T HA 0.362 4.711 4.350 -0.001 0.000 0.305 766 T C 0.298 174.962 174.700 -0.060 0.000 1.119 766 T CA -0.523 61.544 62.100 -0.055 0.000 1.008 766 T CB 1.731 70.584 68.868 -0.025 0.000 1.129 766 T HN 0.509 nan 8.240 nan 0.000 0.480 767 Q N 1.671 121.440 119.800 -0.052 0.000 2.360 767 Q HA 0.241 4.581 4.340 -0.001 0.000 0.202 767 Q C 0.060 176.053 176.000 -0.011 0.000 0.915 767 Q CA 0.043 55.827 55.803 -0.032 0.000 0.943 767 Q CB 0.333 29.064 28.738 -0.013 0.000 1.064 767 Q HN 0.341 nan 8.270 nan 0.000 0.511 768 N N -0.226 118.458 118.700 -0.028 0.000 2.750 768 N HA 0.249 4.988 4.740 -0.001 0.000 0.253 768 N C -0.279 175.187 175.510 -0.073 0.000 1.408 768 N CA -0.043 52.981 53.050 -0.043 0.000 0.780 768 N CB 0.915 39.370 38.487 -0.054 0.000 1.191 768 N HN 0.078 nan 8.380 nan 0.000 0.511 769 A N 2.484 125.267 122.820 -0.061 0.000 2.019 769 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 769 A C 2.123 179.654 177.584 -0.088 0.000 1.164 769 A CA 1.022 53.016 52.037 -0.071 0.000 0.644 769 A CB -0.297 18.666 19.000 -0.063 0.000 0.805 769 A HN 0.670 nan 8.150 nan 0.000 0.449 770 M N -0.767 118.783 119.600 -0.084 0.000 2.065 770 M HA -0.184 4.296 4.480 -0.001 0.000 0.259 770 M C 1.853 178.049 176.300 -0.173 0.000 1.069 770 M CA 1.925 57.167 55.300 -0.096 0.000 1.110 770 M CB -0.162 32.398 32.600 -0.066 0.000 1.328 770 M HN 0.141 nan 8.290 nan 0.000 0.405 771 K N -0.176 120.066 120.400 -0.263 0.000 2.097 771 K HA -0.062 4.257 4.320 -0.001 0.000 0.205 771 K C 1.910 178.202 176.600 -0.514 0.000 1.050 771 K CA 1.871 57.831 56.287 -0.545 0.000 0.938 771 K CB -0.933 31.118 32.500 -0.749 0.000 0.718 771 K HN 0.459 nan 8.250 nan 0.000 0.442 772 T N 1.815 116.206 114.554 -0.273 0.000 2.635 772 T HA -0.233 4.117 4.350 -0.001 0.000 0.267 772 T C 1.930 176.576 174.700 -0.090 0.000 1.040 772 T CA 1.744 63.761 62.100 -0.139 0.000 1.156 772 T CB -0.153 68.665 68.868 -0.084 0.000 0.863 772 T HN 0.383 nan 8.240 nan 0.000 0.430 773 Q N 0.152 119.892 119.800 -0.101 0.000 2.084 773 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 773 Q C 2.518 178.495 176.000 -0.039 0.000 0.978 773 Q CA 1.618 57.381 55.803 -0.067 0.000 0.844 773 Q CB -0.244 28.452 28.738 -0.070 0.000 0.898 773 Q HN 0.436 nan 8.270 nan 0.000 0.426 774 S N -0.767 114.898 115.700 -0.058 0.000 2.395 774 S HA -0.035 4.434 4.470 -0.001 0.000 0.225 774 S C 1.521 176.224 174.600 0.171 0.000 1.027 774 S CA 0.519 58.725 58.200 0.010 0.000 0.965 774 S CB -0.164 63.010 63.200 -0.043 0.000 0.812 774 S HN 0.418 nan 8.310 nan 0.000 0.482 775 F N 1.472 121.387 119.950 -0.059 0.000 2.206 775 F HA 0.066 4.593 4.527 -0.001 0.000 0.298 775 F C 2.394 178.145 175.800 -0.081 0.000 1.090 775 F CA 0.029 57.989 58.000 -0.068 0.000 1.323 775 F CB -1.316 37.646 39.000 -0.063 0.000 1.028 775 F HN 0.042 nan 8.300 nan 0.000 0.492 776 V N 0.208 120.188 119.914 0.110 0.000 2.261 776 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 776 V C 2.692 178.775 176.094 -0.017 0.000 1.047 776 V CA 1.812 64.121 62.300 0.015 0.000 1.015 776 V CB -1.402 30.417 31.823 -0.007 0.000 0.642 776 V HN 0.302 nan 8.190 nan 0.000 0.446 777 A N -0.321 122.495 122.820 -0.005 0.000 1.908 777 A HA -0.308 4.012 4.320 -0.001 0.000 0.218 777 A C 2.350 179.913 177.584 -0.035 0.000 1.181 777 A CA 2.393 54.415 52.037 -0.024 0.000 0.627 777 A CB -0.551 18.441 19.000 -0.014 0.000 0.818 777 A HN 0.537 nan 8.150 nan 0.000 0.445 778 K N -1.401 118.992 120.400 -0.011 0.000 2.057 778 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 778 K C 2.152 178.704 176.600 -0.081 0.000 1.049 778 K CA 1.527 57.792 56.287 -0.036 0.000 0.931 778 K CB -0.222 32.266 32.500 -0.020 0.000 0.714 778 K HN 0.374 nan 8.250 nan 0.000 0.440 779 M N 1.065 120.609 119.600 -0.093 0.000 2.086 779 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 779 M C 1.947 178.145 176.300 -0.170 0.000 1.067 779 M CA 1.599 56.817 55.300 -0.137 0.000 1.116 779 M CB -0.507 32.013 32.600 -0.133 0.000 1.348 779 M HN 0.227 nan 8.290 nan 0.000 0.407 780 L N -0.886 120.234 121.223 -0.172 0.000 2.217 780 L HA 0.015 4.355 4.340 -0.001 0.000 0.211 780 L C 1.250 177.995 176.870 -0.207 0.000 1.107 780 L CA 0.680 55.367 54.840 -0.255 0.000 0.783 780 L CB -0.665 41.276 42.059 -0.197 0.000 0.919 780 L HN 0.626 nan 8.230 nan 0.000 0.442 781 G N 0.498 109.221 108.800 -0.128 0.000 2.204 781 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.244 781 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.244 781 G C -0.344 174.518 174.900 -0.063 0.000 1.062 781 G CA 0.083 45.130 45.100 -0.088 0.000 0.798 781 G HN 0.113 nan 8.290 nan 0.000 0.496 782 V N 0.037 119.918 119.914 -0.055 0.000 2.876 782 V HA 0.699 4.818 4.120 -0.001 0.000 0.312 782 V C -2.029 174.048 176.094 -0.028 0.000 1.085 782 V CA -1.762 60.517 62.300 -0.036 0.000 0.945 782 V CB 2.510 34.311 31.823 -0.037 0.000 1.017 782 V HN 0.142 nan 8.190 nan 0.000 0.428 783 P HA 0.147 nan 4.420 nan 0.000 0.269 783 P C 0.778 178.065 177.300 -0.021 0.000 1.215 783 P CA -0.028 63.059 63.100 -0.020 0.000 0.780 783 P CB 0.691 32.381 31.700 -0.017 0.000 0.898 784 V N 1.492 121.393 119.914 -0.021 0.000 2.515 784 V HA -0.234 3.886 4.120 -0.001 0.000 0.250 784 V C 1.966 178.046 176.094 -0.025 0.000 1.058 784 V CA 2.213 64.500 62.300 -0.023 0.000 1.064 784 V CB -1.433 30.376 31.823 -0.023 0.000 0.675 784 V HN 0.688 nan 8.190 nan 0.000 0.461 785 N N 0.933 119.620 118.700 -0.022 0.000 2.513 785 N HA -0.220 4.520 4.740 -0.001 0.000 0.187 785 N C 1.541 177.039 175.510 -0.021 0.000 1.056 785 N CA 1.119 54.157 53.050 -0.020 0.000 0.907 785 N CB -0.439 38.038 38.487 -0.017 0.000 0.954 785 N HN 0.316 nan 8.380 nan 0.000 0.445 786 R N -0.235 120.252 120.500 -0.021 0.000 2.246 786 R HA 0.207 4.546 4.340 -0.001 0.000 0.199 786 R C 0.005 176.288 176.300 -0.028 0.000 0.984 786 R CA 0.079 56.167 56.100 -0.020 0.000 1.015 786 R CB 0.099 30.391 30.300 -0.015 0.000 0.930 786 R HN 0.290 nan 8.270 nan 0.000 0.475 787 I N 1.887 122.436 120.570 -0.035 0.000 2.354 787 I HA 0.253 4.423 4.170 -0.001 0.000 0.292 787 I C -0.374 175.705 176.117 -0.062 0.000 0.989 787 I CA -1.647 59.624 61.300 -0.048 0.000 1.188 787 I CB 1.360 39.333 38.000 -0.044 0.000 1.342 787 I HN -0.165 nan 8.210 nan 0.000 0.457 788 L N 8.374 129.544 121.223 -0.088 0.000 2.325 788 L HA 0.622 4.962 4.340 -0.001 0.000 0.281 788 L C -0.884 175.893 176.870 -0.156 0.000 1.004 788 L CA -0.386 54.391 54.840 -0.105 0.000 0.823 788 L CB 1.727 43.724 42.059 -0.104 0.000 1.236 788 L HN 0.281 nan 8.230 nan 0.000 0.415 789 V N 6.010 125.844 119.914 -0.133 0.000 2.459 789 V HA 0.639 4.759 4.120 -0.001 0.000 0.295 789 V C -0.138 175.876 176.094 -0.134 0.000 1.029 789 V CA -0.600 61.609 62.300 -0.150 0.000 0.874 789 V CB 1.769 33.530 31.823 -0.103 0.000 0.985 789 V HN 0.743 nan 8.190 nan 0.000 0.438 790 R N 3.172 123.578 120.500 -0.156 0.000 2.561 790 R HA 0.797 5.136 4.340 -0.001 0.000 0.297 790 R C -1.672 174.651 176.300 0.037 0.000 0.969 790 R CA -0.691 55.380 56.100 -0.048 0.000 0.879 790 R CB 2.530 32.831 30.300 0.003 0.000 1.178 790 R HN 0.477 nan 8.270 nan 0.000 0.445 791 V N 3.626 123.558 119.914 0.030 0.000 2.419 791 V HA 0.119 4.239 4.120 -0.001 0.000 0.287 791 V C 0.507 176.618 176.094 0.028 0.000 1.017 791 V CA -0.686 61.632 62.300 0.030 0.000 0.844 791 V CB 1.397 33.212 31.823 -0.013 0.000 1.011 791 V HN 0.701 nan 8.190 nan 0.000 0.429 792 K N 5.097 125.520 120.400 0.038 0.000 1.991 792 K HA 0.108 4.428 4.320 -0.001 0.000 0.207 792 K C 0.735 177.335 176.600 -0.001 0.000 1.045 792 K CA 1.585 57.876 56.287 0.006 0.000 0.937 792 K CB 0.218 32.700 32.500 -0.029 0.000 0.720 792 K HN 0.801 nan 8.250 nan 0.000 0.438 793 R N -1.785 118.691 120.500 -0.041 0.000 2.728 793 R HA 0.394 4.734 4.340 -0.001 0.000 0.274 793 R C -1.312 174.981 176.300 -0.011 0.000 1.032 793 R CA -0.817 55.250 56.100 -0.054 0.000 0.866 793 R CB 0.604 30.826 30.300 -0.130 0.000 1.263 793 R HN -0.006 nan 8.270 nan 0.000 0.475 794 M N 0.680 120.286 119.600 0.010 0.000 2.456 794 M HA 0.404 4.883 4.480 -0.001 0.000 0.324 794 M C 0.582 176.968 176.300 0.144 0.000 1.124 794 M CA -0.655 54.668 55.300 0.038 0.000 0.959 794 M CB 2.385 34.925 32.600 -0.100 0.000 1.692 794 M HN 0.921 nan 8.290 nan 0.000 0.444 795 G N 1.708 110.609 108.800 0.168 0.000 3.197 795 G HA2 0.477 4.436 3.960 -0.001 0.000 0.257 795 G HA3 0.477 4.436 3.960 -0.001 0.000 0.257 795 G C 0.371 175.285 174.900 0.024 0.000 0.835 795 G CA 0.320 45.452 45.100 0.053 0.000 2.001 795 G HN 1.102 nan 8.290 nan 0.000 0.625 796 G N -1.194 107.569 108.800 -0.061 0.000 2.719 796 G HA2 0.360 4.319 3.960 -0.001 0.000 0.686 796 G HA3 0.360 4.319 3.960 -0.001 0.000 0.686 796 G C 0.534 175.265 174.900 -0.281 0.000 1.201 796 G CA -0.312 44.644 45.100 -0.241 0.000 0.768 796 G HN 1.241 nan 8.290 nan 0.000 0.629 797 G N -0.735 107.751 108.800 -0.524 0.000 2.570 797 G HA2 0.538 4.498 3.960 -0.001 0.000 0.213 797 G HA3 0.538 4.498 3.960 -0.001 0.000 0.213 797 G C 0.810 175.681 174.900 -0.048 0.000 1.391 797 G CA 0.829 45.777 45.100 -0.253 0.000 0.533 797 G HN 1.747 nan 8.290 nan 0.000 1.072 798 F N 0.884 120.872 119.950 0.064 0.000 3.084 798 F HA -0.185 4.342 4.527 -0.001 0.000 0.286 798 F C 1.959 177.804 175.800 0.075 0.000 0.855 798 F CA 0.958 59.001 58.000 0.071 0.000 1.091 798 F CB -1.488 37.526 39.000 0.023 0.000 1.177 798 F HN 1.144 nan 8.300 nan 0.000 0.542 799 G N -1.098 107.794 108.800 0.152 0.000 2.284 799 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.230 799 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.230 799 G C 1.153 176.084 174.900 0.052 0.000 1.021 799 G CA 0.121 45.346 45.100 0.208 0.000 0.619 799 G HN 1.218 nan 8.290 nan 0.000 0.510 800 G N 0.056 108.646 108.800 -0.350 0.000 2.598 800 G HA2 0.217 4.177 3.960 -0.001 0.000 0.215 800 G HA3 0.217 4.177 3.960 -0.001 0.000 0.215 800 G C 1.159 176.013 174.900 -0.077 0.000 1.131 800 G CA 1.291 46.002 45.100 -0.648 0.000 0.785 800 G HN 0.515 nan 8.290 nan 0.000 0.539 801 K N -0.024 120.322 120.400 -0.090 0.000 2.514 801 K HA 0.199 4.519 4.320 -0.001 0.000 0.207 801 K C 1.290 177.901 176.600 0.019 0.000 1.035 801 K CA -0.172 56.094 56.287 -0.036 0.000 1.113 801 K CB 0.664 33.016 32.500 -0.248 0.000 0.846 801 K HN 0.261 nan 8.250 nan 0.000 0.491 802 E N 0.582 120.819 120.200 0.062 0.000 2.250 802 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 802 E C 1.062 177.711 176.600 0.082 0.000 0.986 802 E CA 1.459 57.910 56.400 0.084 0.000 0.849 802 E CB 0.552 30.342 29.700 0.151 0.000 0.797 802 E HN 0.317 nan 8.360 nan 0.000 0.482 803 T N -3.217 111.403 114.554 0.110 0.000 3.100 803 T HA 0.185 4.535 4.350 -0.001 0.000 0.255 803 T C 1.488 176.258 174.700 0.116 0.000 0.893 803 T CA -0.581 61.579 62.100 0.100 0.000 0.882 803 T CB -0.062 68.897 68.868 0.152 0.000 1.266 803 T HN -0.107 nan 8.240 nan 0.000 0.528 804 R N 2.580 123.151 120.500 0.119 0.000 2.276 804 R HA 0.211 4.551 4.340 -0.001 0.000 0.203 804 R C 2.571 178.821 176.300 -0.082 0.000 1.017 804 R CA 1.094 57.225 56.100 0.053 0.000 1.010 804 R CB -1.011 29.329 30.300 0.067 0.000 0.900 804 R HN 0.725 nan 8.270 nan 0.000 0.469 805 S N 0.487 116.214 115.700 0.045 0.000 2.440 805 S HA -0.160 4.310 4.470 -0.001 0.000 0.238 805 S C 1.920 176.527 174.600 0.012 0.000 1.010 805 S CA 1.624 59.865 58.200 0.068 0.000 0.972 805 S CB -0.690 62.617 63.200 0.178 0.000 0.774 805 S HN 0.459 nan 8.310 nan 0.000 0.501 806 T N 0.835 115.413 114.554 0.040 0.000 2.962 806 T HA 0.130 4.479 4.350 -0.001 0.000 0.270 806 T C 1.710 176.433 174.700 0.038 0.000 1.088 806 T CA 0.808 62.956 62.100 0.079 0.000 1.127 806 T CB -0.795 68.217 68.868 0.240 0.000 0.883 806 T HN 0.422 nan 8.240 nan 0.000 0.493 807 L N 0.461 121.680 121.223 -0.007 0.000 2.046 807 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 807 L C 2.875 179.727 176.870 -0.030 0.000 1.077 807 L CA 0.955 55.779 54.840 -0.027 0.000 0.747 807 L CB -0.676 41.361 42.059 -0.036 0.000 0.896 807 L HN 0.203 nan 8.230 nan 0.000 0.432 808 V N -1.280 118.612 119.914 -0.037 0.000 2.346 808 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 808 V C 2.553 178.655 176.094 0.014 0.000 1.037 808 V CA 1.652 63.954 62.300 0.004 0.000 1.029 808 V CB 0.011 31.847 31.823 0.021 0.000 0.663 808 V HN 0.319 nan 8.190 nan 0.000 0.454 809 S N 0.163 115.872 115.700 0.014 0.000 2.370 809 S HA -0.181 4.288 4.470 -0.001 0.000 0.226 809 S C 1.985 176.584 174.600 -0.003 0.000 1.033 809 S CA 1.651 59.860 58.200 0.015 0.000 1.011 809 S CB -0.216 62.995 63.200 0.017 0.000 0.852 809 S HN 0.382 nan 8.310 nan 0.000 0.457 810 V N 1.635 121.535 119.914 -0.023 0.000 2.453 810 V HA -0.105 4.014 4.120 -0.001 0.000 0.247 810 V C 2.575 178.600 176.094 -0.114 0.000 1.048 810 V CA 1.509 63.767 62.300 -0.070 0.000 1.049 810 V CB -1.131 30.633 31.823 -0.098 0.000 0.672 810 V HN 0.527 nan 8.190 nan 0.000 0.457 811 A N -0.085 122.668 122.820 -0.113 0.000 1.930 811 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 811 A C 2.367 179.978 177.584 0.045 0.000 1.175 811 A CA 1.934 53.941 52.037 -0.050 0.000 0.627 811 A CB -0.578 18.466 19.000 0.073 0.000 0.815 811 A HN 0.338 nan 8.150 nan 0.000 0.443 812 V N -0.149 119.785 119.914 0.033 0.000 2.358 812 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 812 V C 3.042 179.158 176.094 0.035 0.000 1.047 812 V CA 1.768 64.092 62.300 0.040 0.000 1.035 812 V CB -1.262 30.584 31.823 0.038 0.000 0.658 812 V HN 0.604 nan 8.190 nan 0.000 0.452 813 A N 0.155 122.986 122.820 0.019 0.000 1.883 813 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 813 A C 2.191 179.809 177.584 0.056 0.000 1.186 813 A CA 2.246 54.297 52.037 0.023 0.000 0.624 813 A CB -0.672 18.324 19.000 -0.007 0.000 0.822 813 A HN 0.455 nan 8.150 nan 0.000 0.444 814 L N -0.128 121.115 121.223 0.034 0.000 2.012 814 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 814 L C 2.682 179.645 176.870 0.156 0.000 1.073 814 L CA 2.465 57.355 54.840 0.084 0.000 0.748 814 L CB -0.867 41.221 42.059 0.049 0.000 0.891 814 L HN 0.362 nan 8.230 nan 0.000 0.431 815 A N -0.536 122.347 122.820 0.105 0.000 1.908 815 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 815 A C 2.463 180.085 177.584 0.062 0.000 1.181 815 A CA 2.067 54.146 52.037 0.069 0.000 0.627 815 A CB -1.262 17.761 19.000 0.037 0.000 0.818 815 A HN 0.627 nan 8.150 nan 0.000 0.445 816 A N -1.255 121.607 122.820 0.071 0.000 1.877 816 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 816 A C 2.149 179.774 177.584 0.068 0.000 1.186 816 A CA 1.751 53.825 52.037 0.061 0.000 0.620 816 A CB -0.939 18.093 19.000 0.053 0.000 0.822 816 A HN 0.831 nan 8.150 nan 0.000 0.443 817 Y N 1.229 121.528 120.300 -0.002 0.000 2.097 817 Y HA -0.320 4.230 4.550 -0.001 0.000 0.282 817 Y C 2.387 178.288 175.900 0.003 0.000 1.152 817 Y CA 2.758 60.856 58.100 -0.005 0.000 1.136 817 Y CB -0.344 38.111 38.460 -0.009 0.000 0.975 817 Y HN 0.367 nan 8.280 nan 0.000 0.498 818 K N -0.284 120.088 120.400 -0.047 0.000 2.057 818 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 818 K C 1.971 178.488 176.600 -0.138 0.000 1.050 818 K CA 2.189 58.392 56.287 -0.140 0.000 0.935 818 K CB -0.635 31.887 32.500 0.038 0.000 0.715 818 K HN 0.481 nan 8.250 nan 0.000 0.439 819 T N -3.768 110.753 114.554 -0.056 0.000 3.014 819 T HA 0.180 4.529 4.350 -0.001 0.000 0.263 819 T C 1.622 176.371 174.700 0.082 0.000 1.078 819 T CA 0.606 62.705 62.100 -0.002 0.000 1.135 819 T CB -0.285 68.568 68.868 -0.025 0.000 0.895 819 T HN 0.501 nan 8.240 nan 0.000 0.480 820 G N 1.026 109.827 108.800 0.002 0.000 2.162 820 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.260 820 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.260 820 G C -0.119 174.761 174.900 -0.033 0.000 0.976 820 G CA 0.407 45.486 45.100 -0.035 0.000 0.655 820 G HN 0.788 nan 8.290 nan 0.000 0.533 821 H N 0.568 119.592 119.070 -0.077 0.000 2.525 821 H HA 0.553 5.108 4.556 -0.001 0.000 0.340 821 H C -2.230 173.059 175.328 -0.065 0.000 1.168 821 H CA -1.794 54.211 56.048 -0.072 0.000 1.247 821 H CB 1.217 30.945 29.762 -0.056 0.000 1.568 821 H HN 0.060 nan 8.280 nan 0.000 0.536 822 P HA 0.041 nan 4.420 nan 0.000 0.266 822 P C -0.908 176.407 177.300 0.025 0.000 1.195 822 P CA 0.126 63.254 63.100 0.047 0.000 0.768 822 P CB 0.657 32.425 31.700 0.114 0.000 0.838 823 V N 3.586 123.497 119.914 -0.006 0.000 2.760 823 V HA 0.575 4.695 4.120 -0.001 0.000 0.309 823 V C 0.100 176.141 176.094 -0.088 0.000 1.077 823 V CA -0.640 61.611 62.300 -0.082 0.000 0.910 823 V CB 2.133 33.936 31.823 -0.033 0.000 1.008 823 V HN 0.590 nan 8.190 nan 0.000 0.424 824 R N 2.236 122.613 120.500 -0.204 0.000 2.888 824 R HA 0.938 5.278 4.340 -0.001 0.000 0.266 824 R C -1.321 174.983 176.300 0.007 0.000 1.020 824 R CA -0.637 55.411 56.100 -0.087 0.000 0.963 824 R CB 1.913 32.161 30.300 -0.086 0.000 1.197 824 R HN 0.689 nan 8.270 nan 0.000 0.481 825 C N 2.782 122.130 119.300 0.080 0.000 2.701 825 C HA 0.603 5.063 4.460 -0.001 0.000 0.336 825 C C -0.939 174.124 174.990 0.122 0.000 1.123 825 C CA -0.630 58.464 59.018 0.128 0.000 1.326 825 C CB 1.348 29.151 27.740 0.104 0.000 1.833 825 C HN 1.004 nan 8.230 nan 0.000 0.473 826 M N 6.821 126.502 119.600 0.135 0.000 2.311 826 M HA 0.582 5.061 4.480 -0.001 0.000 0.325 826 M C -1.313 175.048 176.300 0.102 0.000 1.061 826 M CA -0.570 54.795 55.300 0.108 0.000 0.957 826 M CB 1.244 33.902 32.600 0.096 0.000 1.646 826 M HN 0.717 nan 8.290 nan 0.000 0.434 827 L N 3.527 124.813 121.223 0.104 0.000 2.426 827 L HA 0.203 4.543 4.340 -0.001 0.000 0.271 827 L C 0.266 177.184 176.870 0.081 0.000 1.169 827 L CA -0.365 54.536 54.840 0.101 0.000 0.836 827 L CB 0.270 42.405 42.059 0.128 0.000 1.112 827 L HN 0.670 nan 8.230 nan 0.000 0.465 828 D N 0.980 121.424 120.400 0.073 0.000 2.362 828 D HA 0.007 4.647 4.640 -0.001 0.000 0.242 828 D C 0.970 177.300 176.300 0.051 0.000 1.132 828 D CA -0.125 53.911 54.000 0.060 0.000 0.907 828 D CB 1.146 41.987 40.800 0.068 0.000 1.195 828 D HN 0.369 nan 8.370 nan 0.000 0.429 829 R N 2.077 122.590 120.500 0.022 0.000 2.096 829 R HA -0.220 4.120 4.340 -0.001 0.000 0.240 829 R C 1.745 178.048 176.300 0.004 0.000 1.139 829 R CA 2.042 58.124 56.100 -0.029 0.000 0.952 829 R CB -0.205 30.061 30.300 -0.057 0.000 0.854 829 R HN 0.544 nan 8.270 nan 0.000 0.436 830 N N 0.530 119.255 118.700 0.041 0.000 2.120 830 N HA -0.216 4.523 4.740 -0.001 0.000 0.188 830 N C 1.196 176.744 175.510 0.063 0.000 1.024 830 N CA 2.095 55.179 53.050 0.056 0.000 0.852 830 N CB -0.492 38.040 38.487 0.076 0.000 1.003 830 N HN 0.521 nan 8.380 nan 0.000 0.424 831 E N 0.359 120.604 120.200 0.074 0.000 2.051 831 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 831 E C 1.501 178.155 176.600 0.090 0.000 0.991 831 E CA 1.051 57.501 56.400 0.084 0.000 0.799 831 E CB -0.161 29.590 29.700 0.085 0.000 0.748 831 E HN 0.432 nan 8.360 nan 0.000 0.449 832 D N 0.838 121.298 120.400 0.100 0.000 2.104 832 D HA -0.174 4.465 4.640 -0.001 0.000 0.194 832 D C 2.043 178.415 176.300 0.120 0.000 0.994 832 D CA 1.206 55.299 54.000 0.154 0.000 0.830 832 D CB 0.028 40.948 40.800 0.200 0.000 0.959 832 D HN 0.147 nan 8.370 nan 0.000 0.452 833 M N -0.147 119.479 119.600 0.045 0.000 2.149 833 M HA -0.184 4.295 4.480 -0.001 0.000 0.261 833 M C 2.400 178.721 176.300 0.036 0.000 1.064 833 M CA 0.896 56.197 55.300 0.002 0.000 1.102 833 M CB -0.172 32.392 32.600 -0.060 0.000 1.369 833 M HN 0.069 nan 8.290 nan 0.000 0.408 834 L N 0.281 121.537 121.223 0.054 0.000 2.072 834 L HA -0.059 4.281 4.340 -0.001 0.000 0.205 834 L C 1.989 178.917 176.870 0.096 0.000 1.079 834 L CA 1.704 56.587 54.840 0.073 0.000 0.752 834 L CB -0.137 41.966 42.059 0.073 0.000 0.906 834 L HN 0.197 nan 8.230 nan 0.000 0.436 835 I N -1.411 119.217 120.570 0.096 0.000 2.731 835 I HA -0.096 4.074 4.170 -0.001 0.000 0.260 835 I C 1.822 177.991 176.117 0.087 0.000 1.138 835 I CA 1.217 62.574 61.300 0.095 0.000 1.461 835 I CB -0.334 37.717 38.000 0.084 0.000 1.128 835 I HN 0.370 nan 8.210 nan 0.000 0.438 836 T N -1.589 113.026 114.554 0.102 0.000 3.086 836 T HA 0.448 4.798 4.350 -0.001 0.000 0.250 836 T C 0.927 175.733 174.700 0.177 0.000 1.074 836 T CA 0.202 62.359 62.100 0.096 0.000 0.988 836 T CB 0.020 68.946 68.868 0.097 0.000 0.988 836 T HN 0.478 nan 8.240 nan 0.000 0.530 837 G N -0.638 108.265 108.800 0.172 0.000 2.787 837 G HA2 0.359 4.319 3.960 -0.001 0.000 0.685 837 G HA3 0.359 4.319 3.960 -0.001 0.000 0.685 837 G C -0.111 174.947 174.900 0.262 0.000 1.437 837 G CA -0.566 44.642 45.100 0.180 0.000 0.872 837 G HN 1.125 nan 8.290 nan 0.000 0.566 838 G N -0.719 108.194 108.800 0.189 0.000 3.021 838 G HA2 0.780 4.740 3.960 -0.001 0.000 0.290 838 G HA3 0.780 4.740 3.960 -0.001 0.000 0.290 838 G C -0.005 175.004 174.900 0.181 0.000 1.291 838 G CA -0.040 45.138 45.100 0.131 0.000 0.834 838 G HN 0.864 nan 8.290 nan 0.000 0.564 839 R N -0.050 120.590 120.500 0.233 0.000 2.694 839 R HA 0.106 4.446 4.340 -0.001 0.000 0.268 839 R C -0.337 176.057 176.300 0.157 0.000 1.061 839 R CA -0.272 55.967 56.100 0.232 0.000 1.133 839 R CB 0.047 30.328 30.300 -0.032 0.000 1.020 839 R HN 0.581 nan 8.270 nan 0.000 0.475 840 H N 4.367 123.528 119.070 0.152 0.000 2.899 840 H HA 0.097 4.653 4.556 -0.001 0.000 0.303 840 H C -1.911 173.551 175.328 0.223 0.000 1.042 840 H CA -1.500 54.665 56.048 0.195 0.000 1.479 840 H CB 0.803 30.734 29.762 0.281 0.000 1.493 840 H HN 0.406 nan 8.280 nan 0.000 0.534 841 P HA 0.006 nan 4.420 nan 0.000 0.268 841 P C -0.665 176.790 177.300 0.257 0.000 1.205 841 P CA 0.624 63.789 63.100 0.108 0.000 0.771 841 P CB 0.352 32.121 31.700 0.116 0.000 0.858 842 F N 1.907 121.793 119.950 -0.107 0.000 2.551 842 F HA 0.495 5.022 4.527 -0.001 0.000 0.316 842 F C -0.128 175.745 175.800 0.121 0.000 1.089 842 F CA -1.085 56.960 58.000 0.075 0.000 0.915 842 F CB 1.710 40.777 39.000 0.111 0.000 1.186 842 F HN 0.092 nan 8.300 nan 0.000 0.456 843 L N 3.404 124.871 121.223 0.407 0.000 2.329 843 L HA 0.896 5.235 4.340 -0.001 0.000 0.279 843 L C -1.080 176.070 176.870 0.467 0.000 1.014 843 L CA -0.314 54.805 54.840 0.464 0.000 0.814 843 L CB 1.592 43.897 42.059 0.410 0.000 1.257 843 L HN 0.621 nan 8.230 nan 0.000 0.424 844 A N 5.019 128.090 122.820 0.418 0.000 2.393 844 A HA 0.828 5.148 4.320 -0.001 0.000 0.306 844 A C -0.962 176.838 177.584 0.361 0.000 1.050 844 A CA -0.729 51.510 52.037 0.337 0.000 0.724 844 A CB 1.149 20.311 19.000 0.271 0.000 1.248 844 A HN 0.717 nan 8.150 nan 0.000 0.424 845 R N 1.297 121.973 120.500 0.293 0.000 2.387 845 R HA 0.597 4.937 4.340 -0.001 0.000 0.314 845 R C -1.400 175.014 176.300 0.189 0.000 0.958 845 R CA -0.387 55.831 56.100 0.197 0.000 0.846 845 R CB 1.404 31.795 30.300 0.152 0.000 1.147 845 R HN 0.806 nan 8.270 nan 0.000 0.447 846 Y N -0.805 119.536 120.300 0.068 0.000 2.576 846 Y HA 0.649 5.199 4.550 -0.001 0.000 0.346 846 Y C -0.953 174.960 175.900 0.021 0.000 1.018 846 Y CA -1.376 56.745 58.100 0.035 0.000 1.050 846 Y CB 1.976 40.480 38.460 0.072 0.000 1.280 846 Y HN 0.333 nan 8.280 nan 0.000 0.474 847 K N 2.344 122.816 120.400 0.120 0.000 2.615 847 K HA 0.621 4.941 4.320 -0.001 0.000 0.249 847 K C -2.332 174.391 176.600 0.204 0.000 0.977 847 K CA -0.667 55.665 56.287 0.076 0.000 0.833 847 K CB 1.948 34.412 32.500 -0.061 0.000 1.208 847 K HN 0.745 nan 8.250 nan 0.000 0.443 848 V N 1.489 121.519 119.914 0.194 0.000 2.495 848 V HA 0.718 4.838 4.120 -0.001 0.000 0.298 848 V C 0.410 176.697 176.094 0.322 0.000 1.031 848 V CA -0.942 61.405 62.300 0.079 0.000 0.871 848 V CB 1.572 33.325 31.823 -0.117 0.000 0.988 848 V HN 0.808 nan 8.190 nan 0.000 0.432 849 G N 3.363 112.268 108.800 0.174 0.000 2.379 849 G HA2 0.835 4.794 3.960 -0.001 0.000 0.327 849 G HA3 0.835 4.794 3.960 -0.001 0.000 0.327 849 G C -1.150 173.772 174.900 0.036 0.000 1.145 849 G CA -0.518 44.618 45.100 0.060 0.000 0.905 849 G HN 0.877 nan 8.290 nan 0.000 0.466 850 F N 0.003 119.924 119.950 -0.050 0.000 2.711 850 F HA 0.754 5.281 4.527 -0.001 0.000 0.313 850 F C -0.592 175.188 175.800 -0.034 0.000 1.141 850 F CA -1.832 56.131 58.000 -0.062 0.000 0.941 850 F CB 1.306 40.279 39.000 -0.045 0.000 1.349 850 F HN 0.248 nan 8.300 nan 0.000 0.464 851 M N 1.253 120.947 119.600 0.155 0.000 2.494 851 M HA 0.383 4.862 4.480 -0.001 0.000 0.300 851 M C 0.976 177.374 176.300 0.164 0.000 1.189 851 M CA -0.559 54.785 55.300 0.073 0.000 0.982 851 M CB 1.413 34.036 32.600 0.039 0.000 1.534 851 M HN 0.841 nan 8.290 nan 0.000 0.488 852 K N 0.097 120.553 120.400 0.092 0.000 2.211 852 K HA -0.104 4.216 4.320 -0.001 0.000 0.204 852 K C 1.520 178.188 176.600 0.113 0.000 1.047 852 K CA 1.393 57.745 56.287 0.109 0.000 0.935 852 K CB -0.108 32.427 32.500 0.058 0.000 0.728 852 K HN 0.663 nan 8.250 nan 0.000 0.452 853 T N -0.629 113.978 114.554 0.089 0.000 3.035 853 T HA -0.032 4.318 4.350 -0.001 0.000 0.268 853 T C 1.247 175.985 174.700 0.063 0.000 1.109 853 T CA 1.151 63.290 62.100 0.066 0.000 1.119 853 T CB 0.035 68.928 68.868 0.042 0.000 0.900 853 T HN 0.578 nan 8.240 nan 0.000 0.503 854 G N 1.045 109.905 108.800 0.101 0.000 2.176 854 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.232 854 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.232 854 G C 0.342 175.246 174.900 0.007 0.000 0.986 854 G CA 0.107 45.223 45.100 0.026 0.000 0.643 854 G HN 0.501 nan 8.290 nan 0.000 0.522 855 T N 3.258 117.834 114.554 0.036 0.000 2.829 855 T HA 0.420 4.769 4.350 -0.001 0.000 0.293 855 T C 1.059 175.777 174.700 0.031 0.000 0.970 855 T CA 0.067 62.166 62.100 -0.000 0.000 1.168 855 T CB 0.698 69.559 68.868 -0.011 0.000 0.911 855 T HN 0.262 nan 8.240 nan 0.000 0.535 856 I N 4.367 124.924 120.570 -0.022 0.000 2.556 856 I HA 0.075 4.245 4.170 -0.001 0.000 0.284 856 I C 1.109 177.173 176.117 -0.089 0.000 1.114 856 I CA 0.138 61.415 61.300 -0.038 0.000 1.418 856 I CB 0.853 38.797 38.000 -0.093 0.000 1.394 856 I HN 0.450 nan 8.210 nan 0.000 0.552 857 V N 4.783 124.622 119.914 -0.124 0.000 3.539 857 V HA 0.408 4.528 4.120 -0.001 0.000 0.262 857 V C 0.471 176.378 176.094 -0.312 0.000 1.381 857 V CA 0.408 62.599 62.300 -0.181 0.000 1.060 857 V CB 0.851 32.583 31.823 -0.152 0.000 0.842 857 V HN 0.884 nan 8.190 nan 0.000 0.445 858 A N 0.554 123.110 122.820 -0.440 0.000 2.589 858 A HA 0.828 5.147 4.320 -0.001 0.000 0.296 858 A C -2.088 175.146 177.584 -0.583 0.000 1.062 858 A CA -0.344 51.275 52.037 -0.696 0.000 0.686 858 A CB 2.241 20.355 19.000 -1.476 0.000 1.282 858 A HN 0.217 nan 8.150 nan 0.000 0.404 859 L N 0.650 121.638 121.223 -0.392 0.000 2.543 859 L HA 0.778 5.118 4.340 -0.001 0.000 0.265 859 L C -0.879 175.971 176.870 -0.033 0.000 0.945 859 L CA 0.064 54.764 54.840 -0.233 0.000 0.869 859 L CB 2.053 43.885 42.059 -0.378 0.000 1.294 859 L HN 0.856 nan 8.230 nan 0.000 0.405 860 E N 4.108 124.361 120.200 0.088 0.000 2.244 860 E HA 0.697 5.047 4.350 -0.001 0.000 0.260 860 E C -2.041 174.613 176.600 0.091 0.000 0.884 860 E CA -0.620 55.855 56.400 0.125 0.000 0.777 860 E CB 1.776 31.603 29.700 0.211 0.000 1.197 860 E HN 0.466 nan 8.360 nan 0.000 0.416 861 V N 3.850 123.809 119.914 0.076 0.000 2.577 861 V HA 0.371 4.491 4.120 -0.001 0.000 0.303 861 V C -0.907 175.174 176.094 -0.022 0.000 1.042 861 V CA -1.014 61.303 62.300 0.028 0.000 0.872 861 V CB 1.936 33.747 31.823 -0.019 0.000 0.998 861 V HN 0.707 nan 8.190 nan 0.000 0.423 862 D N 2.504 122.873 120.400 -0.052 0.000 2.349 862 D HA 0.469 5.109 4.640 -0.001 0.000 0.232 862 D C -0.502 175.673 176.300 -0.208 0.000 1.071 862 D CA -0.218 53.717 54.000 -0.109 0.000 0.832 862 D CB 1.172 41.953 40.800 -0.033 0.000 1.086 862 D HN 0.610 nan 8.370 nan 0.000 0.504 863 H N 1.135 120.076 119.070 -0.215 0.000 2.479 863 H HA 0.441 4.997 4.556 -0.001 0.000 0.335 863 H C -0.733 174.271 175.328 -0.539 0.000 1.142 863 H CA -0.311 55.662 56.048 -0.126 0.000 1.234 863 H CB 0.929 30.747 29.762 0.093 0.000 1.503 863 H HN 0.309 nan 8.280 nan 0.000 0.510 864 Y N 0.396 120.698 120.300 0.003 0.000 2.354 864 Y HA 0.338 4.888 4.550 -0.001 0.000 0.330 864 Y C -0.350 175.336 175.900 -0.357 0.000 1.011 864 Y CA -0.921 57.113 58.100 -0.110 0.000 1.099 864 Y CB 1.858 40.337 38.460 0.032 0.000 1.179 864 Y HN 0.666 nan 8.280 nan 0.000 0.442 865 S N 1.581 117.082 115.700 -0.331 0.000 2.549 865 S HA 0.412 4.881 4.470 -0.001 0.000 0.297 865 S C -0.677 173.924 174.600 0.002 0.000 1.115 865 S CA -0.975 56.963 58.200 -0.436 0.000 1.059 865 S CB 1.622 64.462 63.200 -0.601 0.000 1.046 865 S HN 0.623 nan 8.310 nan 0.000 0.506 866 N N 1.255 120.006 118.700 0.085 0.000 2.521 866 N HA 0.368 5.107 4.740 -0.001 0.000 0.236 866 N C 0.779 176.342 175.510 0.089 0.000 1.067 866 N CA -0.213 52.893 53.050 0.092 0.000 0.939 866 N CB 1.034 39.564 38.487 0.071 0.000 1.201 866 N HN 0.782 nan 8.380 nan 0.000 0.511 867 A N 2.436 125.357 122.820 0.169 0.000 2.016 867 A HA 0.353 4.672 4.320 -0.001 0.000 0.217 867 A C 1.219 178.873 177.584 0.116 0.000 1.162 867 A CA 1.150 53.328 52.037 0.234 0.000 0.662 867 A CB -0.672 18.597 19.000 0.448 0.000 0.812 867 A HN 0.852 nan 8.150 nan 0.000 0.450 868 G N 0.253 109.112 108.800 0.097 0.000 2.527 868 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.227 868 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.227 868 G C 0.145 175.125 174.900 0.133 0.000 1.291 868 G CA 0.308 45.436 45.100 0.048 0.000 0.904 868 G HN 1.104 nan 8.290 nan 0.000 0.577 869 N N 0.434 119.170 118.700 0.061 0.000 2.313 869 N HA 0.336 5.075 4.740 -0.001 0.000 0.207 869 N C 0.487 176.053 175.510 0.095 0.000 1.141 869 N CA 1.178 54.260 53.050 0.054 0.000 0.830 869 N CB -0.035 38.387 38.487 -0.108 0.000 1.008 869 N HN 1.749 nan 8.380 nan 0.000 0.481 870 S N -1.633 114.120 115.700 0.088 0.000 2.615 870 S HA 0.473 4.942 4.470 -0.001 0.000 0.269 870 S C 0.515 174.912 174.600 -0.337 0.000 1.161 870 S CA -0.946 57.202 58.200 -0.086 0.000 0.817 870 S CB 1.874 65.060 63.200 -0.022 0.000 1.131 870 S HN 0.000 nan 8.310 nan 0.000 0.467 871 R N 0.727 120.887 120.500 -0.566 0.000 2.070 871 R HA -0.004 4.335 4.340 -0.001 0.000 0.233 871 R C 0.989 177.272 176.300 -0.028 0.000 1.137 871 R CA 1.752 57.553 56.100 -0.499 0.000 0.945 871 R CB -0.860 29.132 30.300 -0.514 0.000 0.845 871 R HN 0.894 nan 8.270 nan 0.000 0.430 872 D N -0.880 119.621 120.400 0.167 0.000 3.584 872 D HA -0.293 4.347 4.640 -0.001 0.000 0.153 872 D C 0.284 176.821 176.300 0.394 0.000 0.949 872 D CA 2.224 56.396 54.000 0.287 0.000 1.011 872 D CB -0.746 40.187 40.800 0.221 0.000 0.476 872 D HN 0.118 nan 8.370 nan 0.000 0.460 873 L N 0.238 121.660 121.223 0.333 0.000 2.653 873 L HA 0.235 4.575 4.340 -0.001 0.000 0.231 873 L C 1.972 178.937 176.870 0.160 0.000 1.153 873 L CA 0.149 55.193 54.840 0.339 0.000 0.933 873 L CB 0.028 42.318 42.059 0.386 0.000 1.175 873 L HN 0.147 nan 8.230 nan 0.000 0.473 874 S N -0.696 115.083 115.700 0.132 0.000 2.399 874 S HA -0.248 4.221 4.470 -0.001 0.000 0.231 874 S C 1.848 176.401 174.600 -0.079 0.000 1.022 874 S CA 1.488 59.670 58.200 -0.031 0.000 0.983 874 S CB -0.235 63.070 63.200 0.176 0.000 0.803 874 S HN 0.610 nan 8.310 nan 0.000 0.480 875 H N 1.031 120.060 119.070 -0.069 0.000 2.363 875 H HA 0.082 4.638 4.556 -0.001 0.000 0.301 875 H C 2.166 177.484 175.328 -0.016 0.000 1.074 875 H CA 1.690 57.689 56.048 -0.083 0.000 1.354 875 H CB -0.176 29.503 29.762 -0.137 0.000 1.397 875 H HN 0.213 nan 8.280 nan 0.000 0.516 876 S N -0.164 115.692 115.700 0.259 0.000 2.402 876 S HA -0.085 4.385 4.470 -0.001 0.000 0.229 876 S C 2.126 176.842 174.600 0.193 0.000 1.021 876 S CA 1.186 59.596 58.200 0.350 0.000 0.974 876 S CB -0.141 63.410 63.200 0.586 0.000 0.800 876 S HN 0.384 nan 8.310 nan 0.000 0.484 877 I N 0.713 121.144 120.570 -0.231 0.000 2.252 877 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 877 I C 2.429 178.447 176.117 -0.166 0.000 1.102 877 I CA 1.058 62.041 61.300 -0.529 0.000 1.385 877 I CB -0.229 37.286 38.000 -0.808 0.000 1.064 877 I HN 0.297 nan 8.210 nan 0.000 0.414 878 M N 0.851 120.352 119.600 -0.164 0.000 2.159 878 M HA -0.194 4.285 4.480 -0.001 0.000 0.263 878 M C 2.035 178.242 176.300 -0.155 0.000 1.063 878 M CA 1.823 57.050 55.300 -0.123 0.000 1.110 878 M CB -0.454 31.999 32.600 -0.245 0.000 1.374 878 M HN 0.111 nan 8.290 nan 0.000 0.411 879 E N -0.738 119.365 120.200 -0.162 0.000 2.051 879 E HA -0.257 4.092 4.350 -0.001 0.000 0.192 879 E C 2.211 178.765 176.600 -0.077 0.000 0.991 879 E CA 1.381 57.701 56.400 -0.134 0.000 0.799 879 E CB -0.319 29.438 29.700 0.095 0.000 0.748 879 E HN 0.523 nan 8.360 nan 0.000 0.449 880 R N 0.682 121.298 120.500 0.193 0.000 2.096 880 R HA -0.137 4.203 4.340 -0.001 0.000 0.235 880 R C 2.230 178.675 176.300 0.242 0.000 1.127 880 R CA 1.208 57.532 56.100 0.373 0.000 0.968 880 R CB -0.156 30.377 30.300 0.389 0.000 0.861 880 R HN 0.128 nan 8.270 nan 0.000 0.440 881 A N 1.168 124.013 122.820 0.042 0.000 1.865 881 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 881 A C 2.179 179.730 177.584 -0.055 0.000 1.191 881 A CA 1.354 53.353 52.037 -0.063 0.000 0.623 881 A CB -0.651 18.282 19.000 -0.111 0.000 0.826 881 A HN 0.354 nan 8.150 nan 0.000 0.444 882 L N -1.870 119.270 121.223 -0.139 0.000 2.079 882 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 882 L C 2.437 179.365 176.870 0.097 0.000 1.081 882 L CA 1.327 56.107 54.840 -0.100 0.000 0.752 882 L CB -0.580 41.378 42.059 -0.168 0.000 0.896 882 L HN 0.446 nan 8.230 nan 0.000 0.433 883 F N -1.293 118.720 119.950 0.104 0.000 2.451 883 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 883 F C 2.065 177.926 175.800 0.103 0.000 1.101 883 F CA 0.655 58.608 58.000 -0.078 0.000 1.436 883 F CB -0.070 38.725 39.000 -0.341 0.000 1.074 883 F HN 0.212 nan 8.300 nan 0.000 0.553 884 H N -0.134 119.119 119.070 0.305 0.000 2.592 884 H HA 0.164 4.720 4.556 -0.001 0.000 0.279 884 H C 1.830 177.232 175.328 0.123 0.000 1.089 884 H CA 0.220 56.388 56.048 0.201 0.000 1.150 884 H CB 0.020 29.798 29.762 0.027 0.000 1.575 884 H HN 0.415 nan 8.280 nan 0.000 0.547 885 M N 0.198 119.930 119.600 0.220 0.000 2.630 885 M HA -0.032 4.448 4.480 -0.001 0.000 0.254 885 M C 0.999 177.366 176.300 0.112 0.000 1.092 885 M CA 1.190 56.593 55.300 0.172 0.000 1.087 885 M CB -0.048 32.694 32.600 0.238 0.000 1.453 885 M HN -0.068 nan 8.290 nan 0.000 0.509 886 D N -0.614 119.797 120.400 0.018 0.000 2.333 886 D HA -0.042 4.598 4.640 -0.001 0.000 0.208 886 D C 0.864 177.185 176.300 0.034 0.000 0.984 886 D CA 0.302 54.330 54.000 0.046 0.000 0.873 886 D CB -0.480 40.357 40.800 0.062 0.000 0.935 886 D HN 0.482 nan 8.370 nan 0.000 0.521 887 N N 0.336 119.036 118.700 -0.001 0.000 1.111 887 N HA -0.308 4.432 4.740 -0.001 0.000 0.131 887 N C -0.124 175.283 175.510 -0.171 0.000 0.608 887 N CA 2.618 55.586 53.050 -0.137 0.000 0.899 887 N CB -1.225 37.077 38.487 -0.308 0.000 1.303 887 N HN 0.354 nan 8.380 nan 0.000 0.543 888 C N 0.001 118.925 119.300 -0.627 0.000 2.563 888 C HA 0.417 4.877 4.460 -0.001 0.000 0.307 888 C C -0.632 174.018 174.990 -0.567 0.000 1.371 888 C CA -0.532 58.309 59.018 -0.295 0.000 1.772 888 C CB -2.158 25.489 27.740 -0.155 0.000 2.283 888 C HN 0.330 nan 8.230 nan 0.000 0.570 889 Y N 0.537 120.618 120.300 -0.365 0.000 2.352 889 Y HA 0.441 4.990 4.550 -0.001 0.000 0.339 889 Y C 0.280 175.567 175.900 -1.020 0.000 0.992 889 Y CA -1.056 56.696 58.100 -0.580 0.000 1.100 889 Y CB 0.914 39.230 38.460 -0.239 0.000 1.192 889 Y HN -0.125 nan 8.280 nan 0.000 0.458 890 K N 3.824 123.688 120.400 -0.895 0.000 2.349 890 K HA 0.433 4.752 4.320 -0.001 0.000 0.289 890 K C -1.509 174.929 176.600 -0.269 0.000 1.064 890 K CA 0.269 56.149 56.287 -0.678 0.000 0.947 890 K CB -0.092 32.145 32.500 -0.439 0.000 1.007 890 K HN 0.679 nan 8.250 nan 0.000 0.478 891 I N 8.732 129.205 120.570 -0.161 0.000 2.466 891 I HA 0.244 4.414 4.170 -0.001 0.000 0.279 891 I C -1.501 174.569 176.117 -0.077 0.000 1.033 891 I CA -1.977 59.260 61.300 -0.107 0.000 1.123 891 I CB 1.961 39.908 38.000 -0.088 0.000 1.237 891 I HN 0.632 nan 8.210 nan 0.000 0.460 892 P HA -0.127 nan 4.420 nan 0.000 0.216 892 P C -0.306 176.957 177.300 -0.062 0.000 1.150 892 P CA 1.452 64.511 63.100 -0.067 0.000 0.843 892 P CB 0.135 31.787 31.700 -0.080 0.000 0.787 893 N N 0.025 118.663 118.700 -0.102 0.000 2.448 893 N HA 0.473 5.212 4.740 -0.001 0.000 0.279 893 N C -0.821 174.619 175.510 -0.117 0.000 1.025 893 N CA -0.352 52.635 53.050 -0.105 0.000 0.898 893 N CB 2.505 40.897 38.487 -0.157 0.000 1.303 893 N HN 0.057 nan 8.380 nan 0.000 0.495 894 I N 0.876 121.423 120.570 -0.039 0.000 2.722 894 I HA 0.387 4.557 4.170 -0.001 0.000 0.292 894 I C -1.517 174.633 176.117 0.056 0.000 1.267 894 I CA -0.652 60.642 61.300 -0.010 0.000 1.036 894 I CB 2.357 40.362 38.000 0.008 0.000 1.281 894 I HN 0.392 nan 8.210 nan 0.000 0.423 895 R N 5.355 125.896 120.500 0.069 0.000 2.514 895 R HA 0.706 5.046 4.340 -0.001 0.000 0.296 895 R C -1.411 174.961 176.300 0.119 0.000 1.012 895 R CA -0.549 55.612 56.100 0.103 0.000 0.897 895 R CB 1.935 32.293 30.300 0.096 0.000 1.184 895 R HN 0.784 nan 8.270 nan 0.000 0.440 896 G N 1.722 110.615 108.800 0.155 0.000 2.513 896 G HA2 0.513 4.472 3.960 -0.001 0.000 0.317 896 G HA3 0.513 4.472 3.960 -0.001 0.000 0.317 896 G C -0.813 174.178 174.900 0.152 0.000 1.277 896 G CA -0.505 44.711 45.100 0.194 0.000 0.955 896 G HN 0.575 nan 8.290 nan 0.000 0.484 897 T N -1.180 113.454 114.554 0.132 0.000 2.907 897 T HA 0.822 5.171 4.350 -0.001 0.000 0.292 897 T C 0.003 174.699 174.700 -0.007 0.000 1.043 897 T CA -0.612 61.502 62.100 0.022 0.000 1.003 897 T CB 2.305 71.141 68.868 -0.054 0.000 1.084 897 T HN 1.089 nan 8.240 nan 0.000 0.483 898 G N 1.447 110.166 108.800 -0.135 0.000 2.591 898 G HA2 0.679 4.639 3.960 -0.001 0.000 0.306 898 G HA3 0.679 4.639 3.960 -0.001 0.000 0.306 898 G C -1.199 173.509 174.900 -0.320 0.000 1.334 898 G CA -0.934 44.037 45.100 -0.216 0.000 0.981 898 G HN 0.638 nan 8.290 nan 0.000 0.491 899 R N 0.474 120.738 120.500 -0.394 0.000 2.795 899 R HA 0.514 4.854 4.340 -0.001 0.000 0.275 899 R C -0.992 175.215 176.300 -0.154 0.000 0.981 899 R CA -0.975 54.910 56.100 -0.358 0.000 0.917 899 R CB 1.946 31.877 30.300 -0.615 0.000 1.202 899 R HN 0.475 nan 8.270 nan 0.000 0.469 900 L N 1.241 122.459 121.223 -0.009 0.000 2.298 900 L HA 0.508 4.848 4.340 -0.001 0.000 0.284 900 L C -0.297 176.734 176.870 0.268 0.000 1.013 900 L CA -0.894 54.026 54.840 0.134 0.000 0.824 900 L CB 1.579 43.756 42.059 0.198 0.000 1.221 900 L HN 0.390 nan 8.230 nan 0.000 0.418 901 C N 2.765 122.208 119.300 0.237 0.000 2.482 901 C HA 0.164 4.623 4.460 -0.001 0.000 0.378 901 C C 0.829 175.777 174.990 -0.069 0.000 1.284 901 C CA -0.655 58.453 59.018 0.150 0.000 1.826 901 C CB -0.012 27.808 27.740 0.134 0.000 2.473 901 C HN 0.700 nan 8.230 nan 0.000 0.562 902 K N 3.524 123.706 120.400 -0.364 0.000 2.284 902 K HA 0.379 4.698 4.320 -0.001 0.000 0.287 902 K C 0.186 176.606 176.600 -0.301 0.000 1.081 902 K CA 0.187 56.102 56.287 -0.620 0.000 0.910 902 K CB 0.375 32.248 32.500 -1.045 0.000 1.088 902 K HN 0.906 nan 8.250 nan 0.000 0.478 903 T N 0.309 114.766 114.554 -0.160 0.000 2.916 903 T HA 0.301 4.650 4.350 -0.001 0.000 0.292 903 T C 0.032 174.653 174.700 -0.133 0.000 1.055 903 T CA -1.118 60.896 62.100 -0.144 0.000 1.009 903 T CB 1.089 69.887 68.868 -0.117 0.000 1.118 903 T HN 0.450 nan 8.240 nan 0.000 0.497 904 N N 1.780 120.389 118.700 -0.152 0.000 3.210 904 N HA 0.250 4.989 4.740 -0.001 0.000 0.314 904 N C -0.738 174.708 175.510 -0.106 0.000 1.291 904 N CA 0.087 53.054 53.050 -0.139 0.000 1.202 904 N CB -0.467 37.938 38.487 -0.136 0.000 1.475 904 N HN 0.505 nan 8.380 nan 0.000 0.554 905 L N -0.269 120.894 121.223 -0.101 0.000 2.350 905 L HA 0.314 4.654 4.340 -0.001 0.000 0.260 905 L C 0.442 177.287 176.870 -0.041 0.000 1.015 905 L CA -0.884 53.904 54.840 -0.087 0.000 0.821 905 L CB 1.856 43.819 42.059 -0.160 0.000 1.370 905 L HN -0.030 nan 8.230 nan 0.000 0.416 906 S N 0.860 116.564 115.700 0.006 0.000 2.593 906 S HA -0.064 4.406 4.470 -0.001 0.000 0.300 906 S C 0.287 174.897 174.600 0.017 0.000 1.267 906 S CA 0.044 58.260 58.200 0.028 0.000 1.065 906 S CB 0.488 63.734 63.200 0.077 0.000 0.807 906 S HN 0.569 nan 8.310 nan 0.000 0.499 907 S N 3.562 119.274 115.700 0.021 0.000 2.544 907 S HA 0.030 4.500 4.470 -0.001 0.000 0.290 907 S C 0.314 174.934 174.600 0.032 0.000 1.276 907 S CA -0.483 57.737 58.200 0.034 0.000 1.075 907 S CB -0.194 63.038 63.200 0.053 0.000 0.849 907 S HN 0.627 nan 8.310 nan 0.000 0.494 908 N N 2.668 121.329 118.700 -0.064 0.000 2.463 908 N HA 0.476 5.216 4.740 -0.001 0.000 0.270 908 N C 0.190 175.720 175.510 0.034 0.000 1.205 908 N CA -0.177 52.770 53.050 -0.172 0.000 0.974 908 N CB 1.623 39.720 38.487 -0.651 0.000 1.197 908 N HN 0.697 nan 8.380 nan 0.000 0.504 909 T N -1.397 113.291 114.554 0.223 0.000 2.612 909 T HA 0.608 4.957 4.350 -0.001 0.000 0.296 909 T C -1.318 173.654 174.700 0.453 0.000 1.148 909 T CA -0.508 61.822 62.100 0.384 0.000 1.077 909 T CB 0.322 69.382 68.868 0.321 0.000 1.591 909 T HN 0.471 nan 8.240 nan 0.000 0.479 910 A N 1.178 124.269 122.820 0.451 0.000 2.511 910 A HA 0.579 4.898 4.320 -0.001 0.000 0.242 910 A C -0.745 177.231 177.584 0.653 0.000 1.069 910 A CA 0.107 52.475 52.037 0.551 0.000 0.763 910 A CB -0.726 18.670 19.000 0.661 0.000 1.001 910 A HN 0.694 nan 8.150 nan 0.000 0.498 911 F N 2.363 122.582 119.950 0.449 0.000 2.573 911 F HA 0.432 4.959 4.527 -0.001 0.000 0.316 911 F C 0.548 176.531 175.800 0.304 0.000 1.148 911 F CA -1.123 57.114 58.000 0.395 0.000 0.940 911 F CB 1.200 40.273 39.000 0.122 0.000 1.214 911 F HN 0.791 nan 8.300 nan 0.000 0.448 912 R N 4.107 125.081 120.500 0.791 0.000 3.841 912 R HA -0.054 4.286 4.340 -0.001 0.000 0.164 912 R C 0.941 177.417 176.300 0.293 0.000 0.560 912 R CA 2.004 58.399 56.100 0.490 0.000 0.881 912 R CB -0.606 29.992 30.300 0.496 0.000 1.050 912 R HN 1.171 nan 8.270 nan 0.000 0.289 913 G N 3.653 112.598 108.800 0.241 0.000 2.376 913 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.208 913 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.208 913 G C 0.311 175.491 174.900 0.466 0.000 1.032 913 G CA -0.019 45.225 45.100 0.240 0.000 0.641 913 G HN 0.871 nan 8.290 nan 0.000 0.503 914 F N 0.741 120.819 119.950 0.213 0.000 3.039 914 F HA 0.062 4.589 4.527 -0.001 0.000 0.287 914 F C 1.759 177.616 175.800 0.095 0.000 0.956 914 F CA 2.557 60.672 58.000 0.193 0.000 0.971 914 F CB -1.003 38.123 39.000 0.209 0.000 0.943 914 F HN 2.103 nan 8.300 nan 0.000 0.766 915 G N -0.617 108.180 108.800 -0.005 0.000 2.268 915 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.240 915 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.240 915 G C 1.519 176.306 174.900 -0.189 0.000 1.010 915 G CA 0.729 45.733 45.100 -0.160 0.000 0.618 915 G HN 1.531 nan 8.290 nan 0.000 0.516 916 G N 1.737 110.491 108.800 -0.077 0.000 2.433 916 G HA2 0.071 4.030 3.960 -0.001 0.000 0.216 916 G HA3 0.071 4.030 3.960 -0.001 0.000 0.216 916 G C 0.143 174.975 174.900 -0.115 0.000 1.186 916 G CA 2.022 47.019 45.100 -0.173 0.000 0.779 916 G HN 0.542 nan 8.290 nan 0.000 0.543 917 P HA -0.091 nan 4.420 nan 0.000 0.215 917 P C 1.750 179.084 177.300 0.057 0.000 1.153 917 P CA 1.355 64.522 63.100 0.112 0.000 0.853 917 P CB -0.049 31.758 31.700 0.179 0.000 0.788 918 Q N -0.164 119.535 119.800 -0.169 0.000 2.045 918 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 918 Q C 2.340 178.240 176.000 -0.168 0.000 0.991 918 Q CA 2.318 57.942 55.803 -0.299 0.000 0.851 918 Q CB -1.410 26.726 28.738 -1.003 0.000 0.911 918 Q HN 0.190 nan 8.270 nan 0.000 0.418 919 A N 0.094 122.767 122.820 -0.245 0.000 1.930 919 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 919 A C 2.057 179.615 177.584 -0.044 0.000 1.175 919 A CA 1.058 53.073 52.037 -0.038 0.000 0.627 919 A CB -0.595 18.377 19.000 -0.048 0.000 0.815 919 A HN 0.324 nan 8.150 nan 0.000 0.443 920 L N -2.262 118.813 121.223 -0.247 0.000 2.093 920 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 920 L C 2.408 179.006 176.870 -0.453 0.000 1.085 920 L CA 1.250 55.732 54.840 -0.597 0.000 0.755 920 L CB -0.465 40.744 42.059 -1.417 0.000 0.904 920 L HN 0.483 nan 8.230 nan 0.000 0.435 921 F N 0.796 120.609 119.950 -0.228 0.000 2.146 921 F HA -0.196 4.331 4.527 -0.001 0.000 0.298 921 F C 2.242 178.042 175.800 -0.000 0.000 1.096 921 F CA 1.393 59.477 58.000 0.141 0.000 1.275 921 F CB -0.114 38.983 39.000 0.161 0.000 1.008 921 F HN -0.114 nan 8.300 nan 0.000 0.480 922 I N 0.165 120.753 120.570 0.030 0.000 2.208 922 I HA -0.345 3.825 4.170 -0.001 0.000 0.245 922 I C 2.666 178.573 176.117 -0.350 0.000 1.097 922 I CA 1.333 62.586 61.300 -0.078 0.000 1.363 922 I CB -0.901 37.178 38.000 0.133 0.000 1.051 922 I HN 0.229 nan 8.210 nan 0.000 0.413 923 A N 0.174 122.772 122.820 -0.370 0.000 1.898 923 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 923 A C 2.232 179.055 177.584 -1.268 0.000 1.181 923 A CA 1.432 52.954 52.037 -0.859 0.000 0.620 923 A CB -0.388 18.405 19.000 -0.346 0.000 0.819 923 A HN 0.324 nan 8.150 nan 0.000 0.442 924 E N -0.085 119.701 120.200 -0.689 0.000 2.150 924 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 924 E C 1.765 177.847 176.600 -0.864 0.000 0.985 924 E CA 1.171 57.120 56.400 -0.752 0.000 0.814 924 E CB -0.506 28.824 29.700 -0.617 0.000 0.752 924 E HN 0.729 nan 8.360 nan 0.000 0.466 925 N N 1.230 119.560 118.700 -0.618 0.000 2.058 925 N HA -0.166 4.574 4.740 -0.001 0.000 0.191 925 N C 1.938 177.262 175.510 -0.310 0.000 1.037 925 N CA 2.123 54.969 53.050 -0.340 0.000 0.848 925 N CB -0.329 37.941 38.487 -0.363 0.000 1.021 925 N HN 0.382 nan 8.380 nan 0.000 0.422 926 W N -0.593 120.473 121.300 -0.390 0.000 2.402 926 W HA -0.044 4.616 4.660 -0.001 0.000 0.286 926 W C 1.758 178.123 176.519 -0.256 0.000 1.221 926 W CA 0.217 57.376 57.345 -0.310 0.000 1.257 926 W CB -0.872 28.379 29.460 -0.347 0.000 1.120 926 W HN 0.144 nan 8.180 nan 0.000 0.551 927 M N 3.411 122.693 119.600 -0.530 0.000 2.108 927 M HA -0.213 4.266 4.480 -0.001 0.000 0.261 927 M C 2.547 178.662 176.300 -0.308 0.000 1.066 927 M CA 2.880 57.905 55.300 -0.458 0.000 1.107 927 M CB -0.796 31.267 32.600 -0.894 0.000 1.356 927 M HN 0.096 nan 8.290 nan 0.000 0.406 928 S N -0.933 114.565 115.700 -0.336 0.000 2.402 928 S HA -0.144 4.326 4.470 -0.001 0.000 0.229 928 S C 1.744 176.281 174.600 -0.105 0.000 1.021 928 S CA 1.472 59.544 58.200 -0.214 0.000 0.974 928 S CB -0.746 62.338 63.200 -0.194 0.000 0.800 928 S HN 0.711 nan 8.310 nan 0.000 0.484 929 E N 0.802 120.964 120.200 -0.064 0.000 2.112 929 E HA 0.013 4.362 4.350 -0.001 0.000 0.190 929 E C 2.119 178.669 176.600 -0.083 0.000 0.979 929 E CA 0.840 57.235 56.400 -0.008 0.000 0.814 929 E CB -0.296 29.464 29.700 0.100 0.000 0.762 929 E HN 0.363 nan 8.360 nan 0.000 0.460 930 V N 1.771 121.563 119.914 -0.203 0.000 2.252 930 V HA -0.348 3.771 4.120 -0.001 0.000 0.249 930 V C 2.400 178.282 176.094 -0.353 0.000 1.056 930 V CA 2.119 64.078 62.300 -0.569 0.000 1.022 930 V CB -0.823 30.632 31.823 -0.612 0.000 0.641 930 V HN 0.355 nan 8.190 nan 0.000 0.445 931 A N -0.515 122.184 122.820 -0.202 0.000 1.908 931 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 931 A C 2.386 179.946 177.584 -0.040 0.000 1.181 931 A CA 2.218 54.193 52.037 -0.103 0.000 0.627 931 A CB -0.720 18.237 19.000 -0.072 0.000 0.818 931 A HN 0.353 nan 8.150 nan 0.000 0.445 932 V N -0.460 119.438 119.914 -0.026 0.000 2.295 932 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 932 V C 2.735 178.857 176.094 0.045 0.000 1.049 932 V CA 2.455 64.769 62.300 0.024 0.000 1.024 932 V CB -1.242 30.604 31.823 0.038 0.000 0.648 932 V HN 0.602 nan 8.190 nan 0.000 0.447 933 T N -1.109 113.472 114.554 0.044 0.000 2.759 933 T HA -0.218 4.132 4.350 -0.001 0.000 0.269 933 T C 1.734 176.518 174.700 0.140 0.000 1.042 933 T CA 1.973 64.147 62.100 0.123 0.000 1.140 933 T CB -0.420 68.589 68.868 0.236 0.000 0.864 933 T HN 0.560 nan 8.240 nan 0.000 0.455 934 C N 0.788 120.144 119.300 0.094 0.000 2.618 934 C HA 0.453 4.913 4.460 -0.001 0.000 0.264 934 C C 2.024 177.058 174.990 0.073 0.000 1.334 934 C CA -0.553 58.530 59.018 0.108 0.000 1.731 934 C CB -1.305 26.486 27.740 0.085 0.000 1.852 934 C HN 0.778 nan 8.230 nan 0.000 0.566 935 G N 1.389 110.225 108.800 0.059 0.000 2.323 935 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.292 935 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.292 935 G C -0.245 174.685 174.900 0.050 0.000 1.040 935 G CA 0.189 45.321 45.100 0.053 0.000 0.942 935 G HN 0.567 nan 8.290 nan 0.000 0.506 936 L N -0.610 120.640 121.223 0.044 0.000 2.322 936 L HA 0.556 4.896 4.340 -0.001 0.000 0.269 936 L C -1.851 175.056 176.870 0.062 0.000 1.012 936 L CA -2.703 52.169 54.840 0.052 0.000 0.815 936 L CB 1.580 43.668 42.059 0.048 0.000 1.295 936 L HN -0.128 nan 8.230 nan 0.000 0.438 937 P HA 0.019 nan 4.420 nan 0.000 0.264 937 P C 0.114 177.485 177.300 0.119 0.000 1.193 937 P CA 0.005 63.178 63.100 0.122 0.000 0.763 937 P CB 0.896 32.697 31.700 0.169 0.000 0.810 938 A N 4.149 127.037 122.820 0.113 0.000 1.908 938 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 938 A C 1.740 179.408 177.584 0.140 0.000 1.181 938 A CA 1.847 53.933 52.037 0.081 0.000 0.627 938 A CB -0.988 18.049 19.000 0.061 0.000 0.818 938 A HN 0.601 nan 8.150 nan 0.000 0.445 939 E N 0.154 120.485 120.200 0.219 0.000 2.204 939 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 939 E C 1.779 178.614 176.600 0.391 0.000 0.990 939 E CA 1.288 57.903 56.400 0.359 0.000 0.821 939 E CB -0.311 29.510 29.700 0.202 0.000 0.750 939 E HN 0.855 nan 8.360 nan 0.000 0.477 940 E N 0.772 121.134 120.200 0.270 0.000 2.076 940 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 940 E C 1.901 178.607 176.600 0.177 0.000 0.979 940 E CA 0.956 57.506 56.400 0.250 0.000 0.807 940 E CB 0.201 30.013 29.700 0.186 0.000 0.761 940 E HN 0.168 nan 8.360 nan 0.000 0.454 941 V N 1.559 121.522 119.914 0.081 0.000 2.295 941 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 941 V C 2.489 178.512 176.094 -0.118 0.000 1.049 941 V CA 1.960 64.242 62.300 -0.029 0.000 1.024 941 V CB -0.617 31.155 31.823 -0.084 0.000 0.648 941 V HN 0.242 nan 8.190 nan 0.000 0.447 942 R N -0.798 119.639 120.500 -0.105 0.000 2.080 942 R HA -0.232 4.108 4.340 -0.001 0.000 0.236 942 R C 2.283 178.494 176.300 -0.148 0.000 1.137 942 R CA 2.195 58.180 56.100 -0.192 0.000 0.943 942 R CB -0.568 29.713 30.300 -0.032 0.000 0.846 942 R HN 0.732 nan 8.270 nan 0.000 0.431 943 W N 3.215 124.358 121.300 -0.263 0.000 2.338 943 W HA -0.225 4.434 4.660 -0.001 0.000 0.304 943 W C 1.712 178.136 176.519 -0.159 0.000 1.212 943 W CA 1.644 58.802 57.345 -0.311 0.000 1.264 943 W CB -0.105 29.272 29.460 -0.139 0.000 1.142 943 W HN 0.063 nan 8.180 nan 0.000 0.512 944 K N 0.313 120.635 120.400 -0.130 0.000 2.288 944 K HA -0.137 4.182 4.320 -0.001 0.000 0.201 944 K C 1.122 177.573 176.600 -0.248 0.000 1.048 944 K CA 1.304 57.471 56.287 -0.200 0.000 0.956 944 K CB -0.625 31.868 32.500 -0.013 0.000 0.746 944 K HN 0.071 nan 8.250 nan 0.000 0.461 945 N N 0.682 119.241 118.700 -0.235 0.000 2.280 945 N HA 0.019 4.759 4.740 -0.001 0.000 0.192 945 N C 0.211 175.611 175.510 -0.183 0.000 1.109 945 N CA -0.010 52.914 53.050 -0.210 0.000 0.855 945 N CB 0.224 38.564 38.487 -0.245 0.000 0.974 945 N HN 0.279 nan 8.380 nan 0.000 0.482 946 M N 1.067 120.518 119.600 -0.247 0.000 2.249 946 M HA 0.004 4.484 4.480 -0.001 0.000 0.340 946 M C -0.321 175.804 176.300 -0.290 0.000 1.166 946 M CA -0.113 55.052 55.300 -0.225 0.000 1.115 946 M CB 0.451 32.823 32.600 -0.380 0.000 1.606 946 M HN 0.026 nan 8.290 nan 0.000 0.448 947 Y N 3.789 123.921 120.300 -0.280 0.000 2.709 947 Y HA -0.073 4.477 4.550 -0.001 0.000 0.348 947 Y C 0.449 176.052 175.900 -0.495 0.000 1.267 947 Y CA 0.440 58.225 58.100 -0.526 0.000 1.486 947 Y CB 0.374 38.211 38.460 -1.039 0.000 1.356 947 Y HN 0.485 nan 8.280 nan 0.000 0.639 948 K N 0.525 120.774 120.400 -0.253 0.000 2.281 948 K HA 0.453 4.772 4.320 -0.001 0.000 0.242 948 K C -1.037 175.424 176.600 -0.231 0.000 0.971 948 K CA -1.255 54.924 56.287 -0.180 0.000 0.834 948 K CB 1.452 33.875 32.500 -0.128 0.000 1.181 948 K HN 0.426 nan 8.250 nan 0.000 0.435 949 E N 0.416 120.579 120.200 -0.061 0.000 2.608 949 E HA 0.079 4.429 4.350 -0.001 0.000 0.259 949 E C 0.855 177.395 176.600 -0.099 0.000 0.951 949 E CA 2.184 58.558 56.400 -0.043 0.000 0.945 949 E CB -0.179 29.540 29.700 0.032 0.000 0.916 949 E HN 0.810 nan 8.360 nan 0.000 0.477 950 G N 3.809 112.537 108.800 -0.122 0.000 2.217 950 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.246 950 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.246 950 G C 0.079 174.880 174.900 -0.166 0.000 0.990 950 G CA 0.065 45.097 45.100 -0.114 0.000 0.627 950 G HN 0.657 nan 8.290 nan 0.000 0.522 951 D N 0.500 120.755 120.400 -0.243 0.000 2.400 951 D HA 0.438 5.077 4.640 -0.001 0.000 0.238 951 D C 1.116 177.224 176.300 -0.320 0.000 1.157 951 D CA 0.173 54.027 54.000 -0.243 0.000 0.889 951 D CB 0.551 41.219 40.800 -0.220 0.000 1.199 951 D HN 0.332 nan 8.370 nan 0.000 0.436 952 L N 1.263 122.345 121.223 -0.235 0.000 2.325 952 L HA 0.283 4.623 4.340 -0.001 0.000 0.279 952 L C 1.251 177.932 176.870 -0.314 0.000 1.054 952 L CA -0.753 53.918 54.840 -0.281 0.000 0.804 952 L CB 1.417 43.374 42.059 -0.169 0.000 1.200 952 L HN 0.437 nan 8.230 nan 0.000 0.436 953 T N -2.950 111.285 114.554 -0.531 0.000 2.754 953 T HA 0.034 4.383 4.350 -0.001 0.000 0.286 953 T C 1.368 175.931 174.700 -0.229 0.000 0.997 953 T CA -0.345 61.473 62.100 -0.470 0.000 0.982 953 T CB 0.468 68.641 68.868 -1.157 0.000 1.027 953 T HN 0.737 nan 8.240 nan 0.000 0.529 954 H N 0.199 119.209 119.070 -0.101 0.000 2.518 954 H HA -0.032 4.524 4.556 -0.001 0.000 0.289 954 H C 1.139 176.531 175.328 0.107 0.000 1.051 954 H CA 1.046 57.121 56.048 0.044 0.000 1.280 954 H CB -0.786 29.067 29.762 0.151 0.000 1.380 954 H HN 0.782 nan 8.280 nan 0.000 0.566 955 F N -0.091 119.665 119.950 -0.323 0.000 2.641 955 F HA 0.418 4.944 4.527 -0.001 0.000 0.302 955 F C 0.095 175.893 175.800 -0.004 0.000 1.098 955 F CA -0.898 57.006 58.000 -0.160 0.000 1.318 955 F CB -0.044 38.738 39.000 -0.364 0.000 1.035 955 F HN -0.137 nan 8.300 nan 0.000 0.551 956 N N 1.298 119.840 118.700 -0.262 0.000 2.818 956 N HA -0.247 4.493 4.740 -0.001 0.000 0.250 956 N C -0.244 175.170 175.510 -0.160 0.000 1.108 956 N CA 0.941 53.906 53.050 -0.142 0.000 0.745 956 N CB -1.175 37.315 38.487 0.004 0.000 1.104 956 N HN 0.755 nan 8.380 nan 0.000 0.557 957 Q N 0.607 120.191 119.800 -0.360 0.000 2.257 957 Q HA 0.326 4.665 4.340 -0.001 0.000 0.255 957 Q C -0.216 175.649 176.000 -0.226 0.000 0.920 957 Q CA -0.571 55.124 55.803 -0.180 0.000 0.927 957 Q CB 0.925 29.680 28.738 0.029 0.000 1.229 957 Q HN 0.141 nan 8.270 nan 0.000 0.433 958 R N 2.739 123.172 120.500 -0.112 0.000 2.543 958 R HA 0.190 4.530 4.340 -0.001 0.000 0.277 958 R C -0.534 175.696 176.300 -0.118 0.000 1.074 958 R CA -0.033 55.983 56.100 -0.139 0.000 1.076 958 R CB 0.361 30.617 30.300 -0.073 0.000 0.993 958 R HN 0.518 nan 8.270 nan 0.000 0.459 959 L N 3.409 124.482 121.223 -0.249 0.000 2.270 959 L HA 0.221 4.560 4.340 -0.001 0.000 0.286 959 L C 0.000 176.853 176.870 -0.029 0.000 1.059 959 L CA 0.010 54.726 54.840 -0.207 0.000 0.839 959 L CB 0.537 42.252 42.059 -0.572 0.000 1.221 959 L HN 0.484 nan 8.230 nan 0.000 0.431 960 E N 2.501 122.765 120.200 0.107 0.000 2.175 960 E HA 0.427 4.777 4.350 -0.001 0.000 0.278 960 E C 0.590 177.296 176.600 0.176 0.000 0.969 960 E CA -0.470 55.992 56.400 0.104 0.000 0.796 960 E CB 1.731 31.481 29.700 0.083 0.000 1.104 960 E HN 0.727 nan 8.360 nan 0.000 0.395 961 G N 3.282 112.162 108.800 0.133 0.000 2.298 961 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.287 961 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.287 961 G C -0.393 174.612 174.900 0.174 0.000 1.075 961 G CA -0.182 45.001 45.100 0.139 0.000 0.960 961 G HN 0.491 nan 8.290 nan 0.000 0.502 962 F N 2.234 122.117 119.950 -0.110 0.000 2.462 962 F HA 0.476 5.003 4.527 -0.001 0.000 0.360 962 F C 1.372 176.907 175.800 -0.441 0.000 1.134 962 F CA -0.348 57.387 58.000 -0.441 0.000 1.148 962 F CB 0.750 39.539 39.000 -0.351 0.000 1.147 962 F HN 0.304 nan 8.300 nan 0.000 0.550 963 S N 2.976 118.104 115.700 -0.952 0.000 2.554 963 S HA 0.045 4.515 4.470 -0.001 0.000 0.226 963 S C 1.507 175.784 174.600 -0.539 0.000 0.980 963 S CA 0.263 58.168 58.200 -0.492 0.000 0.939 963 S CB -0.379 62.731 63.200 -0.150 0.000 0.832 963 S HN 0.399 nan 8.310 nan 0.000 0.486 964 V N 2.867 122.155 119.914 -1.043 0.000 2.324 964 V HA -0.100 4.019 4.120 -0.001 0.000 0.250 964 V C -0.416 175.567 176.094 -0.185 0.000 1.060 964 V CA 2.029 63.977 62.300 -0.588 0.000 1.042 964 V CB -1.865 29.492 31.823 -0.776 0.000 0.650 964 V HN 0.392 nan 8.190 nan 0.000 0.450 965 P HA -0.159 nan 4.420 nan 0.000 0.216 965 P C 1.793 179.212 177.300 0.199 0.000 1.150 965 P CA 1.503 64.730 63.100 0.212 0.000 0.843 965 P CB -0.100 31.739 31.700 0.233 0.000 0.787 966 R N -1.279 119.259 120.500 0.064 0.000 2.066 966 R HA -0.085 4.254 4.340 -0.001 0.000 0.232 966 R C 2.302 178.642 176.300 0.067 0.000 1.131 966 R CA 1.526 57.660 56.100 0.057 0.000 0.955 966 R CB -1.140 29.168 30.300 0.014 0.000 0.851 966 R HN 0.230 nan 8.270 nan 0.000 0.432 967 C N -0.414 118.922 119.300 0.059 0.000 2.429 967 C HA -0.138 4.322 4.460 -0.001 0.000 0.277 967 C C 2.390 177.450 174.990 0.117 0.000 1.262 967 C CA 0.148 59.209 59.018 0.072 0.000 1.733 967 C CB -1.040 26.743 27.740 0.072 0.000 2.010 967 C HN 0.663 nan 8.230 nan 0.000 0.483 968 W N 1.838 123.119 121.300 -0.033 0.000 2.353 968 W HA -0.150 4.509 4.660 -0.001 0.000 0.319 968 W C 2.202 178.669 176.519 -0.086 0.000 1.207 968 W CA 2.202 59.524 57.345 -0.038 0.000 1.291 968 W CB -0.836 28.657 29.460 0.055 0.000 1.159 968 W HN 0.396 nan 8.180 nan 0.000 0.478 969 D N 0.131 120.614 120.400 0.140 0.000 2.116 969 D HA -0.249 4.390 4.640 -0.001 0.000 0.193 969 D C 1.942 178.206 176.300 -0.061 0.000 0.998 969 D CA 2.247 56.244 54.000 -0.006 0.000 0.836 969 D CB -0.363 40.457 40.800 0.033 0.000 0.951 969 D HN 0.283 nan 8.370 nan 0.000 0.449 970 E N -0.633 119.549 120.200 -0.029 0.000 2.107 970 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 970 E C 2.296 178.846 176.600 -0.083 0.000 0.982 970 E CA 0.637 57.012 56.400 -0.042 0.000 0.809 970 E CB -0.239 29.451 29.700 -0.016 0.000 0.756 970 E HN 0.360 nan 8.360 nan 0.000 0.459 971 C N 0.905 120.133 119.300 -0.120 0.000 2.453 971 C HA -0.084 4.376 4.460 -0.001 0.000 0.277 971 C C 2.592 177.439 174.990 -0.238 0.000 1.262 971 C CA 0.490 59.407 59.018 -0.169 0.000 1.718 971 C CB -1.005 26.613 27.740 -0.202 0.000 2.031 971 C HN 0.377 nan 8.230 nan 0.000 0.480 972 L N 0.771 121.777 121.223 -0.362 0.000 2.013 972 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 972 L C 2.727 179.490 176.870 -0.178 0.000 1.073 972 L CA 2.289 56.893 54.840 -0.393 0.000 0.753 972 L CB -0.739 41.018 42.059 -0.503 0.000 0.890 972 L HN 0.426 nan 8.230 nan 0.000 0.432 973 K N -0.083 120.248 120.400 -0.116 0.000 2.025 973 K HA -0.181 4.139 4.320 -0.001 0.000 0.207 973 K C 2.275 178.848 176.600 -0.045 0.000 1.049 973 K CA 1.815 58.073 56.287 -0.049 0.000 0.933 973 K CB -0.021 32.459 32.500 -0.034 0.000 0.714 973 K HN 0.360 nan 8.250 nan 0.000 0.438 974 S N -0.365 115.299 115.700 -0.059 0.000 2.470 974 S HA -0.065 4.404 4.470 -0.001 0.000 0.225 974 S C 1.884 176.457 174.600 -0.046 0.000 1.006 974 S CA 0.889 59.062 58.200 -0.045 0.000 0.934 974 S CB 0.038 63.212 63.200 -0.043 0.000 0.778 974 S HN 0.382 nan 8.310 nan 0.000 0.517 975 S N 0.733 116.395 115.700 -0.063 0.000 2.527 975 S HA 0.101 4.570 4.470 -0.001 0.000 0.222 975 S C 0.598 175.176 174.600 -0.037 0.000 0.985 975 S CA 0.230 58.399 58.200 -0.052 0.000 0.921 975 S CB -0.778 62.383 63.200 -0.065 0.000 0.772 975 S HN 0.563 nan 8.310 nan 0.000 0.529 976 Q N -0.549 119.231 119.800 -0.032 0.000 2.463 976 Q HA -0.263 4.076 4.340 -0.001 0.000 0.299 976 Q C 0.170 176.152 176.000 -0.029 0.000 1.353 976 Q CA 0.716 56.509 55.803 -0.016 0.000 0.828 976 Q CB -2.466 26.262 28.738 -0.017 0.000 1.157 976 Q HN 0.827 nan 8.270 nan 0.000 0.436 977 Y N -0.646 119.524 120.300 -0.217 0.000 2.145 977 Y HA -0.293 4.257 4.550 -0.001 0.000 0.286 977 Y C 1.581 177.335 175.900 -0.243 0.000 1.145 977 Y CA 2.314 60.230 58.100 -0.307 0.000 1.148 977 Y CB -0.155 37.995 38.460 -0.517 0.000 0.981 977 Y HN 0.411 nan 8.280 nan 0.000 0.507 978 Y N -0.297 119.998 120.300 -0.008 0.000 2.181 978 Y HA -0.213 4.337 4.550 -0.001 0.000 0.288 978 Y C 2.689 178.512 175.900 -0.127 0.000 1.146 978 Y CA 0.913 58.963 58.100 -0.083 0.000 1.164 978 Y CB -0.753 37.718 38.460 0.019 0.000 0.982 978 Y HN 0.257 nan 8.280 nan 0.000 0.515 979 A N 0.633 123.486 122.820 0.056 0.000 1.877 979 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 979 A C 2.192 179.740 177.584 -0.059 0.000 1.186 979 A CA 1.718 53.756 52.037 0.001 0.000 0.620 979 A CB -0.574 18.429 19.000 0.006 0.000 0.822 979 A HN 0.385 nan 8.150 nan 0.000 0.443 980 R N -0.656 119.777 120.500 -0.111 0.000 2.148 980 R HA -0.073 4.266 4.340 -0.001 0.000 0.227 980 R C 2.272 178.457 176.300 -0.193 0.000 1.103 980 R CA 1.248 57.266 56.100 -0.138 0.000 0.983 980 R CB -0.241 29.975 30.300 -0.140 0.000 0.874 980 R HN 0.544 nan 8.270 nan 0.000 0.451 981 K N 0.541 120.754 120.400 -0.312 0.000 2.097 981 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 981 K C 1.954 178.476 176.600 -0.131 0.000 1.049 981 K CA 1.521 57.625 56.287 -0.306 0.000 0.933 981 K CB 0.093 32.326 32.500 -0.446 0.000 0.717 981 K HN 0.029 nan 8.250 nan 0.000 0.442 982 S N 1.139 116.790 115.700 -0.081 0.000 2.353 982 S HA -0.132 4.338 4.470 -0.001 0.000 0.222 982 S C 1.628 176.216 174.600 -0.021 0.000 1.035 982 S CA 1.227 59.407 58.200 -0.033 0.000 1.025 982 S CB -0.187 63.003 63.200 -0.016 0.000 0.902 982 S HN 0.376 nan 8.310 nan 0.000 0.440 983 E N 0.499 120.683 120.200 -0.026 0.000 2.204 983 E HA -0.079 4.271 4.350 -0.001 0.000 0.195 983 E C 2.126 178.744 176.600 0.030 0.000 0.990 983 E CA 0.672 57.075 56.400 0.004 0.000 0.821 983 E CB -0.189 29.508 29.700 -0.006 0.000 0.750 983 E HN 0.276 nan 8.360 nan 0.000 0.477 984 V N 1.954 121.858 119.914 -0.016 0.000 2.343 984 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 984 V C 1.864 177.997 176.094 0.066 0.000 1.051 984 V CA 1.822 64.121 62.300 -0.002 0.000 1.036 984 V CB -0.314 31.469 31.823 -0.067 0.000 0.654 984 V HN 0.172 nan 8.190 nan 0.000 0.451 985 D N -0.428 119.989 120.400 0.028 0.000 2.144 985 D HA -0.181 4.459 4.640 -0.001 0.000 0.199 985 D C 2.171 178.496 176.300 0.041 0.000 0.984 985 D CA 1.290 55.308 54.000 0.031 0.000 0.834 985 D CB -0.008 40.796 40.800 0.007 0.000 0.955 985 D HN 0.397 nan 8.370 nan 0.000 0.465 986 K N -0.072 120.357 120.400 0.047 0.000 2.025 986 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 986 K C 2.117 178.749 176.600 0.054 0.000 1.049 986 K CA 0.649 56.957 56.287 0.036 0.000 0.933 986 K CB -0.294 32.227 32.500 0.034 0.000 0.714 986 K HN -0.004 nan 8.250 nan 0.000 0.438 987 F N 1.999 121.932 119.950 -0.029 0.000 2.120 987 F HA -0.276 4.250 4.527 -0.001 0.000 0.300 987 F C 1.696 177.478 175.800 -0.030 0.000 1.095 987 F CA 1.683 59.668 58.000 -0.025 0.000 1.249 987 F CB -0.167 38.821 39.000 -0.021 0.000 0.995 987 F HN 0.156 nan 8.300 nan 0.000 0.480 988 N N 0.602 119.421 118.700 0.199 0.000 2.244 988 N HA -0.138 4.601 4.740 -0.001 0.000 0.183 988 N C 1.586 177.064 175.510 -0.053 0.000 1.016 988 N CA 1.309 54.416 53.050 0.094 0.000 0.866 988 N CB -0.316 38.228 38.487 0.096 0.000 0.980 988 N HN 0.408 nan 8.380 nan 0.000 0.430 989 K N 0.613 120.977 120.400 -0.059 0.000 2.296 989 K HA 0.042 4.362 4.320 -0.001 0.000 0.200 989 K C 1.012 177.534 176.600 -0.131 0.000 1.048 989 K CA 0.644 56.878 56.287 -0.088 0.000 0.966 989 K CB 0.162 32.627 32.500 -0.058 0.000 0.754 989 K HN 0.323 nan 8.250 nan 0.000 0.466 990 E N 0.361 120.456 120.200 -0.176 0.000 2.479 990 E HA 0.072 4.422 4.350 -0.001 0.000 0.193 990 E C -0.181 176.243 176.600 -0.294 0.000 1.049 990 E CA 0.037 56.308 56.400 -0.214 0.000 0.870 990 E CB 0.332 29.907 29.700 -0.209 0.000 0.944 990 E HN 0.208 nan 8.360 nan 0.000 0.492 991 N N -0.372 118.121 118.700 -0.345 0.000 2.249 991 N HA 0.142 4.881 4.740 -0.001 0.000 0.296 991 N C -0.356 175.012 175.510 -0.236 0.000 1.051 991 N CA -0.382 52.464 53.050 -0.341 0.000 0.815 991 N CB 2.018 40.139 38.487 -0.610 0.000 1.487 991 N HN -0.051 nan 8.380 nan 0.000 0.475 992 C N 0.246 119.408 119.300 -0.231 0.000 2.564 992 C HA 0.094 4.553 4.460 -0.001 0.000 0.281 992 C C 1.468 176.204 174.990 -0.422 0.000 1.314 992 C CA 0.144 58.895 59.018 -0.445 0.000 1.706 992 C CB -0.538 26.815 27.740 -0.645 0.000 2.109 992 C HN 0.815 nan 8.230 nan 0.000 0.502 993 W N 1.025 122.390 121.300 0.109 0.000 3.123 993 W HA 0.346 5.006 4.660 -0.001 0.000 0.383 993 W C 0.423 177.002 176.519 0.099 0.000 1.102 993 W CA -0.162 57.252 57.345 0.114 0.000 1.865 993 W CB 0.182 29.681 29.460 0.066 0.000 1.111 993 W HN 0.061 nan 8.180 nan 0.000 0.621 994 K N 1.266 121.823 120.400 0.262 0.000 2.468 994 K HA 0.425 4.745 4.320 -0.001 0.000 0.252 994 K C -0.303 176.504 176.600 0.345 0.000 0.932 994 K CA -0.910 55.550 56.287 0.288 0.000 0.794 994 K CB 2.352 35.057 32.500 0.342 0.000 1.241 994 K HN -0.406 nan 8.250 nan 0.000 0.428 995 K N 2.279 122.847 120.400 0.281 0.000 2.426 995 K HA 0.468 4.788 4.320 -0.001 0.000 0.251 995 K C -0.630 176.029 176.600 0.098 0.000 0.941 995 K CA -0.824 55.615 56.287 0.253 0.000 0.808 995 K CB 2.477 35.058 32.500 0.134 0.000 1.265 995 K HN 0.510 nan 8.250 nan 0.000 0.432 996 R N -0.002 120.514 120.500 0.027 0.000 2.604 996 R HA 0.642 4.982 4.340 -0.001 0.000 0.287 996 R C 0.100 176.371 176.300 -0.048 0.000 0.970 996 R CA -0.770 55.246 56.100 -0.140 0.000 0.946 996 R CB 1.821 31.901 30.300 -0.367 0.000 1.127 996 R HN 0.773 nan 8.270 nan 0.000 0.473 997 G N 1.244 110.009 108.800 -0.059 0.000 2.574 997 G HA2 0.628 4.588 3.960 -0.001 0.000 0.299 997 G HA3 0.628 4.588 3.960 -0.001 0.000 0.299 997 G C -1.950 172.930 174.900 -0.034 0.000 1.298 997 G CA -0.434 44.650 45.100 -0.027 0.000 0.952 997 G HN 0.359 nan 8.290 nan 0.000 0.477 998 L N 0.465 121.683 121.223 -0.009 0.000 2.505 998 L HA 0.745 5.085 4.340 -0.001 0.000 0.266 998 L C -1.083 175.845 176.870 0.096 0.000 0.954 998 L CA -0.540 54.303 54.840 0.005 0.000 0.852 998 L CB 1.653 43.657 42.059 -0.092 0.000 1.282 998 L HN 0.757 nan 8.230 nan 0.000 0.403 999 C N 5.248 124.629 119.300 0.135 0.000 2.797 999 C HA 0.713 5.173 4.460 -0.001 0.000 0.306 999 C C -0.905 174.141 174.990 0.093 0.000 1.207 999 C CA -0.786 58.328 59.018 0.160 0.000 1.507 999 C CB 1.347 29.181 27.740 0.157 0.000 2.028 999 C HN 0.886 nan 8.230 nan 0.000 0.475 1000 I N 5.384 125.937 120.570 -0.028 0.000 2.436 1000 I HA 0.656 4.826 4.170 -0.001 0.000 0.289 1000 I C -1.119 174.987 176.117 -0.018 0.000 1.010 1000 I CA -0.540 60.632 61.300 -0.213 0.000 1.098 1000 I CB 0.942 38.483 38.000 -0.764 0.000 1.266 1000 I HN 0.634 nan 8.210 nan 0.000 0.434 1001 I N 9.309 129.925 120.570 0.077 0.000 2.545 1001 I HA 0.524 4.693 4.170 -0.001 0.000 0.292 1001 I C -2.414 173.889 176.117 0.311 0.000 1.040 1001 I CA -1.900 59.526 61.300 0.211 0.000 1.068 1001 I CB 2.733 40.777 38.000 0.073 0.000 1.251 1001 I HN 0.389 nan 8.210 nan 0.000 0.424 1002 P HA 0.393 nan 4.420 nan 0.000 0.283 1002 P C -0.946 176.521 177.300 0.279 0.000 1.278 1002 P CA -0.483 62.797 63.100 0.300 0.000 0.834 1002 P CB 2.119 33.924 31.700 0.175 0.000 1.150 1003 T N -1.021 113.696 114.554 0.272 0.000 2.889 1003 T HA 0.527 4.877 4.350 -0.001 0.000 0.315 1003 T C -1.489 173.396 174.700 0.308 0.000 1.291 1003 T CA -0.720 61.562 62.100 0.304 0.000 1.028 1003 T CB 1.017 70.156 68.868 0.451 0.000 1.235 1003 T HN 0.617 nan 8.240 nan 0.000 0.491 1004 K N 2.043 122.629 120.400 0.310 0.000 2.375 1004 K HA 0.803 5.123 4.320 -0.001 0.000 0.249 1004 K C -1.829 174.999 176.600 0.381 0.000 0.942 1004 K CA -0.886 55.596 56.287 0.326 0.000 0.806 1004 K CB 2.094 34.822 32.500 0.380 0.000 1.227 1004 K HN 0.426 nan 8.250 nan 0.000 0.430 1005 F N 1.020 121.037 119.950 0.111 0.000 2.585 1005 F HA 0.436 4.963 4.527 -0.001 0.000 0.319 1005 F C -0.364 175.355 175.800 -0.135 0.000 1.165 1005 F CA -0.276 57.790 58.000 0.111 0.000 0.949 1005 F CB 2.089 41.069 39.000 -0.033 0.000 1.218 1005 F HN 0.823 nan 8.300 nan 0.000 0.453 1006 G N 6.263 114.622 108.800 -0.734 0.000 2.403 1006 G HA2 0.454 4.414 3.960 -0.001 0.000 0.259 1006 G HA3 0.454 4.414 3.960 -0.001 0.000 0.259 1006 G C -0.794 173.368 174.900 -1.229 0.000 1.244 1006 G CA -0.469 43.585 45.100 -1.742 0.000 0.849 1006 G HN 0.481 nan 8.290 nan 0.000 0.532 1007 I N 1.679 121.724 120.570 -0.875 0.000 2.307 1007 I HA 0.507 4.677 4.170 -0.001 0.000 0.289 1007 I C 0.249 176.189 176.117 -0.295 0.000 1.021 1007 I CA -0.208 60.754 61.300 -0.564 0.000 1.224 1007 I CB -0.063 37.377 38.000 -0.933 0.000 1.376 1007 I HN 0.398 nan 8.210 nan 0.000 0.470 1008 S N 4.558 120.162 115.700 -0.160 0.000 2.758 1008 S HA 0.259 4.729 4.470 -0.001 0.000 0.278 1008 S C -0.781 173.726 174.600 -0.155 0.000 0.905 1008 S CA -0.898 57.224 58.200 -0.129 0.000 0.960 1008 S CB 0.319 63.478 63.200 -0.068 0.000 1.211 1008 S HN 0.272 nan 8.310 nan 0.000 0.462 1009 F N 2.112 121.982 119.950 -0.133 0.000 2.529 1009 F HA 0.177 4.704 4.527 -0.001 0.000 0.365 1009 F C 2.260 177.964 175.800 -0.160 0.000 1.102 1009 F CA 0.585 58.488 58.000 -0.161 0.000 1.271 1009 F CB 0.648 39.520 39.000 -0.213 0.000 1.120 1009 F HN 0.747 nan 8.300 nan 0.000 0.579 1010 T N -1.300 113.298 114.554 0.074 0.000 3.118 1010 T HA 0.053 4.403 4.350 -0.001 0.000 0.260 1010 T C 0.433 175.164 174.700 0.051 0.000 1.139 1010 T CA 0.084 62.176 62.100 -0.015 0.000 1.085 1010 T CB -0.496 68.456 68.868 0.139 0.000 0.934 1010 T HN 0.185 nan 8.240 nan 0.000 0.518 1011 V N 3.796 123.728 119.914 0.031 0.000 2.368 1011 V HA 0.215 4.334 4.120 -0.001 0.000 0.266 1011 V C -1.312 174.665 176.094 -0.196 0.000 1.045 1011 V CA -1.746 60.492 62.300 -0.103 0.000 0.899 1011 V CB 1.098 32.739 31.823 -0.302 0.000 1.006 1011 V HN 0.132 nan 8.190 nan 0.000 0.470 1012 P HA -0.195 nan 4.420 nan 0.000 0.216 1012 P C 1.560 178.818 177.300 -0.071 0.000 1.150 1012 P CA 1.439 64.507 63.100 -0.054 0.000 0.843 1012 P CB -0.025 31.684 31.700 0.016 0.000 0.787 1013 F N -1.481 118.441 119.950 -0.048 0.000 2.451 1013 F HA 0.024 4.551 4.527 -0.001 0.000 0.299 1013 F C 1.583 177.299 175.800 -0.139 0.000 1.101 1013 F CA 0.759 58.716 58.000 -0.072 0.000 1.436 1013 F CB -1.675 37.294 39.000 -0.052 0.000 1.074 1013 F HN -0.203 nan 8.300 nan 0.000 0.553 1014 L N 0.716 121.585 121.223 -0.590 0.000 2.478 1014 L HA -0.002 4.338 4.340 -0.001 0.000 0.223 1014 L C 0.692 177.299 176.870 -0.438 0.000 1.140 1014 L CA 0.312 54.739 54.840 -0.687 0.000 0.842 1014 L CB -0.694 40.518 42.059 -1.413 0.000 0.953 1014 L HN 0.150 nan 8.230 nan 0.000 0.452 1015 N N 2.534 121.128 118.700 -0.177 0.000 3.254 1015 N HA 0.046 4.786 4.740 -0.001 0.000 0.308 1015 N C -0.415 174.993 175.510 -0.170 0.000 1.281 1015 N CA 0.177 53.190 53.050 -0.062 0.000 1.212 1015 N CB 0.217 38.676 38.487 -0.048 0.000 1.478 1015 N HN 0.532 nan 8.380 nan 0.000 0.548 1016 Q N -0.940 118.745 119.800 -0.192 0.000 2.379 1016 Q HA 0.818 5.158 4.340 -0.001 0.000 0.278 1016 Q C -1.776 174.011 176.000 -0.356 0.000 1.068 1016 Q CA -1.270 54.334 55.803 -0.332 0.000 0.816 1016 Q CB 2.317 30.977 28.738 -0.131 0.000 1.387 1016 Q HN 0.069 nan 8.270 nan 0.000 0.413 1017 A N 0.868 123.337 122.820 -0.585 0.000 2.488 1017 A HA 0.881 5.201 4.320 -0.001 0.000 0.298 1017 A C -0.783 176.695 177.584 -0.177 0.000 1.044 1017 A CA -0.179 51.658 52.037 -0.334 0.000 0.693 1017 A CB 1.924 20.564 19.000 -0.600 0.000 1.272 1017 A HN 0.891 nan 8.150 nan 0.000 0.402 1018 G N -0.163 108.797 108.800 0.268 0.000 2.453 1018 G HA2 0.862 4.821 3.960 -0.001 0.000 0.323 1018 G HA3 0.862 4.821 3.960 -0.001 0.000 0.323 1018 G C -0.430 174.673 174.900 0.338 0.000 1.198 1018 G CA 0.030 45.353 45.100 0.372 0.000 0.959 1018 G HN 1.807 nan 8.290 nan 0.000 0.482 1019 A N -0.015 122.960 122.820 0.259 0.000 2.527 1019 A HA 0.855 5.175 4.320 -0.001 0.000 0.293 1019 A C -1.788 175.861 177.584 0.108 0.000 1.117 1019 A CA -0.666 51.484 52.037 0.188 0.000 0.723 1019 A CB 2.148 21.259 19.000 0.186 0.000 1.313 1019 A HN 1.501 nan 8.150 nan 0.000 0.411 1020 L N 0.906 122.147 121.223 0.030 0.000 2.476 1020 L HA 0.741 5.080 4.340 -0.001 0.000 0.269 1020 L C -1.672 175.090 176.870 -0.181 0.000 0.965 1020 L CA -0.038 54.768 54.840 -0.055 0.000 0.845 1020 L CB 1.324 43.337 42.059 -0.077 0.000 1.259 1020 L HN 0.618 nan 8.230 nan 0.000 0.403 1021 I N 4.587 125.057 120.570 -0.166 0.000 2.465 1021 I HA 0.450 4.619 4.170 -0.001 0.000 0.291 1021 I C -0.979 175.036 176.117 -0.171 0.000 1.014 1021 I CA -0.780 60.419 61.300 -0.169 0.000 1.093 1021 I CB 1.759 39.747 38.000 -0.019 0.000 1.267 1021 I HN 0.546 nan 8.210 nan 0.000 0.431 1022 H N 5.127 124.161 119.070 -0.059 0.000 2.489 1022 H HA 0.469 5.025 4.556 -0.000 0.000 0.343 1022 H C -0.772 174.416 175.328 -0.232 0.000 1.086 1022 H CA -0.777 55.137 56.048 -0.223 0.000 1.198 1022 H CB 2.276 31.761 29.762 -0.462 0.000 1.490 1022 H HN 0.150 nan 8.280 nan 0.000 0.504 1023 V N 4.661 124.532 119.914 -0.071 0.000 2.370 1023 V HA 0.190 4.309 4.120 -0.001 0.000 0.279 1023 V C -0.152 175.822 176.094 -0.200 0.000 1.029 1023 V CA -0.729 61.559 62.300 -0.019 0.000 0.870 1023 V CB 0.020 31.900 31.823 0.094 0.000 0.984 1023 V HN 0.571 nan 8.190 nan 0.000 0.451 1024 Y N 1.891 122.236 120.300 0.074 0.000 2.340 1024 Y HA 0.226 4.775 4.550 -0.001 0.000 0.327 1024 Y C 2.100 177.959 175.900 -0.069 0.000 1.321 1024 Y CA 0.134 58.225 58.100 -0.015 0.000 1.433 1024 Y CB 0.727 39.179 38.460 -0.012 0.000 1.373 1024 Y HN 0.734 nan 8.280 nan 0.000 0.538 1025 T N -3.402 111.158 114.554 0.011 0.000 3.072 1025 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 1025 T C 0.829 175.490 174.700 -0.065 0.000 1.127 1025 T CA 1.046 63.069 62.100 -0.129 0.000 1.107 1025 T CB -0.356 68.311 68.868 -0.335 0.000 0.910 1025 T HN 0.733 nan 8.240 nan 0.000 0.513 1026 D N 0.941 121.345 120.400 0.007 0.000 2.340 1026 D HA 0.166 4.806 4.640 -0.001 0.000 0.220 1026 D C 1.691 178.038 176.300 0.079 0.000 1.039 1026 D CA 0.557 54.570 54.000 0.021 0.000 0.866 1026 D CB -0.795 40.017 40.800 0.020 0.000 0.913 1026 D HN 0.557 nan 8.370 nan 0.000 0.523 1027 G N 0.577 109.438 108.800 0.102 0.000 2.184 1027 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.264 1027 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.264 1027 G C 0.397 175.582 174.900 0.474 0.000 0.975 1027 G CA 0.586 45.834 45.100 0.247 0.000 0.642 1027 G HN 0.843 nan 8.290 nan 0.000 0.536 1028 S N -0.782 115.100 115.700 0.305 0.000 2.576 1028 S HA 0.663 5.132 4.470 -0.001 0.000 0.276 1028 S C 0.112 174.923 174.600 0.352 0.000 1.339 1028 S CA -0.064 58.306 58.200 0.283 0.000 1.039 1028 S CB 2.457 65.768 63.200 0.185 0.000 0.902 1028 S HN 1.072 nan 8.310 nan 0.000 0.516 1029 V N 3.079 123.165 119.914 0.288 0.000 2.555 1029 V HA 0.563 4.683 4.120 -0.001 0.000 0.302 1029 V C -0.582 175.665 176.094 0.256 0.000 1.038 1029 V CA -0.852 61.601 62.300 0.255 0.000 0.887 1029 V CB 1.402 33.340 31.823 0.193 0.000 0.991 1029 V HN 0.885 nan 8.190 nan 0.000 0.434 1030 L N 5.901 127.271 121.223 0.244 0.000 2.319 1030 L HA 0.703 5.042 4.340 -0.001 0.000 0.281 1030 L C -0.605 176.300 176.870 0.059 0.000 1.005 1030 L CA -0.000 54.981 54.840 0.235 0.000 0.828 1030 L CB 1.708 44.020 42.059 0.423 0.000 1.227 1030 L HN 0.449 nan 8.230 nan 0.000 0.415 1031 V N 3.848 123.779 119.914 0.029 0.000 2.435 1031 V HA 0.669 4.789 4.120 -0.001 0.000 0.290 1031 V C -0.043 176.014 176.094 -0.061 0.000 1.030 1031 V CA -0.392 61.898 62.300 -0.015 0.000 0.881 1031 V CB 1.642 33.481 31.823 0.027 0.000 0.983 1031 V HN 0.832 nan 8.190 nan 0.000 0.445 1032 S N 4.211 119.868 115.700 -0.072 0.000 2.532 1032 S HA 0.692 5.162 4.470 -0.001 0.000 0.299 1032 S C -0.917 173.658 174.600 -0.042 0.000 1.105 1032 S CA -0.655 57.472 58.200 -0.121 0.000 1.018 1032 S CB 0.625 63.750 63.200 -0.124 0.000 1.021 1032 S HN 1.022 nan 8.310 nan 0.000 0.483 1033 H N 1.136 120.145 119.070 -0.101 0.000 2.946 1033 H HA 0.479 5.034 4.556 -0.001 0.000 0.365 1033 H C 0.821 175.999 175.328 -0.250 0.000 1.197 1033 H CA -0.578 55.405 56.048 -0.108 0.000 1.131 1033 H CB 1.138 30.847 29.762 -0.088 0.000 1.849 1033 H HN 0.666 nan 8.280 nan 0.000 0.555 1034 G N 0.151 108.801 108.800 -0.250 0.000 2.679 1034 G HA2 0.092 4.051 3.960 -0.001 0.000 0.212 1034 G HA3 0.092 4.051 3.960 -0.001 0.000 0.212 1034 G C 0.685 175.245 174.900 -0.565 0.000 1.137 1034 G CA 0.348 45.283 45.100 -0.275 0.000 0.787 1034 G HN 0.818 nan 8.290 nan 0.000 0.534 1035 G N -0.279 107.910 108.800 -1.017 0.000 2.476 1035 G HA2 0.481 4.441 3.960 -0.001 0.000 0.286 1035 G HA3 0.481 4.441 3.960 -0.001 0.000 0.286 1035 G C -0.025 174.733 174.900 -0.235 0.000 1.177 1035 G CA 0.279 45.044 45.100 -0.558 0.000 0.870 1035 G HN 0.359 nan 8.290 nan 0.000 0.528 1036 T N -1.731 112.746 114.554 -0.128 0.000 2.918 1036 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 1036 T C -0.471 174.085 174.700 -0.240 0.000 1.026 1036 T CA -0.801 61.216 62.100 -0.138 0.000 1.031 1036 T CB 2.277 71.089 68.868 -0.093 0.000 1.046 1036 T HN 0.455 nan 8.240 nan 0.000 0.479 1037 E N 2.202 122.181 120.200 -0.368 0.000 2.167 1037 E HA 0.374 4.723 4.350 -0.001 0.000 0.284 1037 E C 0.460 176.967 176.600 -0.155 0.000 1.016 1037 E CA -0.612 55.567 56.400 -0.369 0.000 0.817 1037 E CB 0.613 30.014 29.700 -0.499 0.000 1.080 1037 E HN 0.754 nan 8.360 nan 0.000 0.397 1038 M N 2.564 122.088 119.600 -0.127 0.000 2.502 1038 M HA 0.481 4.961 4.480 -0.001 0.000 0.351 1038 M C 0.764 177.006 176.300 -0.096 0.000 1.118 1038 M CA 0.143 55.367 55.300 -0.127 0.000 0.952 1038 M CB 0.720 33.185 32.600 -0.225 0.000 1.424 1038 M HN 0.599 nan 8.290 nan 0.000 0.529 1039 G N 1.724 110.529 108.800 0.007 0.000 2.284 1039 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.201 1039 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.201 1039 G C 0.850 175.823 174.900 0.122 0.000 0.998 1039 G CA 0.345 45.479 45.100 0.057 0.000 0.651 1039 G HN 0.589 nan 8.290 nan 0.000 0.489 1040 Q N 1.632 121.466 119.800 0.058 0.000 2.451 1040 Q HA 0.327 4.666 4.340 -0.001 0.000 0.206 1040 Q C 1.580 177.606 176.000 0.043 0.000 0.947 1040 Q CA 1.497 57.330 55.803 0.050 0.000 0.937 1040 Q CB -0.270 28.469 28.738 0.003 0.000 1.025 1040 Q HN 1.944 nan 8.270 nan 0.000 0.511 1041 G N 1.894 110.706 108.800 0.020 0.000 2.171 1041 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.238 1041 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.238 1041 G C 0.311 175.119 174.900 -0.153 0.000 1.039 1041 G CA 0.381 45.381 45.100 -0.167 0.000 0.759 1041 G HN 0.393 nan 8.290 nan 0.000 0.501 1042 L N 0.040 121.179 121.223 -0.141 0.000 2.017 1042 L HA 0.072 4.412 4.340 -0.001 0.000 0.208 1042 L C 2.547 179.388 176.870 -0.048 0.000 1.073 1042 L CA 2.822 57.603 54.840 -0.098 0.000 0.745 1042 L CB -0.535 41.465 42.059 -0.098 0.000 0.894 1042 L HN 0.403 nan 8.230 nan 0.000 0.432 1043 H N -0.788 118.246 119.070 -0.061 0.000 2.353 1043 H HA -0.083 4.473 4.556 -0.001 0.000 0.300 1043 H C 2.141 177.398 175.328 -0.118 0.000 1.090 1043 H CA 1.805 57.825 56.048 -0.047 0.000 1.327 1043 H CB -1.019 28.695 29.762 -0.081 0.000 1.383 1043 H HN 0.360 nan 8.280 nan 0.000 0.508 1044 T N 1.240 115.741 114.554 -0.089 0.000 2.684 1044 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 1044 T C 2.029 176.697 174.700 -0.054 0.000 1.036 1044 T CA 1.562 63.595 62.100 -0.110 0.000 1.148 1044 T CB -0.003 68.746 68.868 -0.199 0.000 0.863 1044 T HN 0.362 nan 8.240 nan 0.000 0.436 1045 K N 0.406 120.775 120.400 -0.052 0.000 2.057 1045 K HA 0.012 4.331 4.320 -0.001 0.000 0.207 1045 K C 2.416 179.007 176.600 -0.015 0.000 1.049 1045 K CA 1.105 57.376 56.287 -0.027 0.000 0.931 1045 K CB -0.170 32.315 32.500 -0.024 0.000 0.714 1045 K HN 0.231 nan 8.250 nan 0.000 0.440 1046 M N 0.490 120.069 119.600 -0.036 0.000 2.159 1046 M HA -0.120 4.360 4.480 -0.001 0.000 0.263 1046 M C 2.256 178.556 176.300 -0.001 0.000 1.063 1046 M CA 1.262 56.533 55.300 -0.048 0.000 1.110 1046 M CB -0.730 31.776 32.600 -0.157 0.000 1.374 1046 M HN -0.052 nan 8.290 nan 0.000 0.411 1047 V N 0.480 120.394 119.914 -0.001 0.000 2.358 1047 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 1047 V C 2.429 178.524 176.094 0.001 0.000 1.047 1047 V CA 1.567 63.867 62.300 -0.001 0.000 1.035 1047 V CB -0.766 31.049 31.823 -0.013 0.000 0.658 1047 V HN 0.518 nan 8.190 nan 0.000 0.452 1048 Q N -0.615 119.184 119.800 -0.002 0.000 2.084 1048 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 1048 Q C 2.364 178.379 176.000 0.025 0.000 0.978 1048 Q CA 1.749 57.549 55.803 -0.005 0.000 0.844 1048 Q CB -0.346 28.384 28.738 -0.014 0.000 0.898 1048 Q HN 0.540 nan 8.270 nan 0.000 0.426 1049 V N 1.113 121.076 119.914 0.082 0.000 2.261 1049 V HA -0.308 3.811 4.120 -0.001 0.000 0.246 1049 V C 2.324 178.529 176.094 0.185 0.000 1.047 1049 V CA 1.993 64.420 62.300 0.211 0.000 1.015 1049 V CB -1.052 30.888 31.823 0.195 0.000 0.642 1049 V HN 0.424 nan 8.190 nan 0.000 0.446 1050 A N -0.482 122.396 122.820 0.098 0.000 1.883 1050 A HA -0.265 4.055 4.320 -0.001 0.000 0.217 1050 A C 2.586 180.181 177.584 0.018 0.000 1.186 1050 A CA 2.430 54.504 52.037 0.061 0.000 0.624 1050 A CB -0.938 18.084 19.000 0.036 0.000 0.822 1050 A HN 0.537 nan 8.150 nan 0.000 0.444 1051 S N -0.364 115.331 115.700 -0.008 0.000 2.359 1051 S HA -0.259 4.210 4.470 -0.001 0.000 0.224 1051 S C 2.132 176.704 174.600 -0.046 0.000 1.035 1051 S CA 2.105 60.272 58.200 -0.056 0.000 1.018 1051 S CB -0.350 62.817 63.200 -0.056 0.000 0.876 1051 S HN 0.623 nan 8.310 nan 0.000 0.448 1052 K N 0.414 120.805 120.400 -0.014 0.000 2.026 1052 K HA -0.004 4.316 4.320 -0.001 0.000 0.208 1052 K C 2.263 178.902 176.600 0.064 0.000 1.048 1052 K CA 1.225 57.498 56.287 -0.024 0.000 0.929 1052 K CB -0.595 31.821 32.500 -0.140 0.000 0.713 1052 K HN 0.423 nan 8.250 nan 0.000 0.439 1053 A N 1.114 124.028 122.820 0.157 0.000 1.898 1053 A HA -0.070 4.249 4.320 -0.001 0.000 0.216 1053 A C 2.046 179.659 177.584 0.049 0.000 1.181 1053 A CA 1.158 53.296 52.037 0.168 0.000 0.620 1053 A CB -0.518 18.578 19.000 0.161 0.000 0.819 1053 A HN 0.330 nan 8.150 nan 0.000 0.442 1054 L N -1.281 119.944 121.223 0.004 0.000 2.395 1054 L HA -0.026 4.314 4.340 -0.001 0.000 0.218 1054 L C 0.266 177.096 176.870 -0.066 0.000 1.130 1054 L CA 0.623 55.442 54.840 -0.036 0.000 0.826 1054 L CB -0.292 41.679 42.059 -0.147 0.000 0.941 1054 L HN 0.373 nan 8.230 nan 0.000 0.451 1055 K N 1.141 121.509 120.400 -0.052 0.000 3.096 1055 K HA -0.187 4.133 4.320 -0.001 0.000 0.266 1055 K C -0.304 176.221 176.600 -0.125 0.000 1.043 1055 K CA 0.689 56.951 56.287 -0.042 0.000 0.758 1055 K CB -2.087 30.436 32.500 0.039 0.000 1.260 1055 K HN 0.536 nan 8.250 nan 0.000 0.481 1056 I N -3.943 116.482 120.570 -0.241 0.000 2.892 1056 I HA 0.649 4.818 4.170 -0.001 0.000 0.306 1056 I C -2.653 173.335 176.117 -0.214 0.000 1.078 1056 I CA -3.173 57.926 61.300 -0.335 0.000 1.032 1056 I CB 2.262 39.808 38.000 -0.757 0.000 1.229 1056 I HN -0.286 nan 8.210 nan 0.000 0.435 1057 P HA 0.233 nan 4.420 nan 0.000 0.272 1057 P C 1.067 178.310 177.300 -0.095 0.000 1.223 1057 P CA -0.331 62.706 63.100 -0.106 0.000 0.784 1057 P CB 0.689 32.342 31.700 -0.077 0.000 0.923 1058 I N -0.172 120.363 120.570 -0.058 0.000 2.423 1058 I HA -0.245 3.924 4.170 -0.001 0.000 0.254 1058 I C 1.609 177.721 176.117 -0.009 0.000 1.151 1058 I CA 2.007 63.287 61.300 -0.032 0.000 1.421 1058 I CB -1.147 36.842 38.000 -0.018 0.000 1.079 1058 I HN 0.231 nan 8.210 nan 0.000 0.431 1059 S N 1.033 116.726 115.700 -0.012 0.000 2.474 1059 S HA -0.083 4.386 4.470 -0.001 0.000 0.235 1059 S C 1.770 176.379 174.600 0.015 0.000 0.997 1059 S CA 0.706 58.911 58.200 0.008 0.000 0.949 1059 S CB -0.498 62.701 63.200 -0.001 0.000 0.766 1059 S HN 0.580 nan 8.310 nan 0.000 0.517 1060 K N 0.353 120.745 120.400 -0.013 0.000 2.444 1060 K HA 0.358 4.678 4.320 -0.001 0.000 0.193 1060 K C -0.157 176.477 176.600 0.057 0.000 1.024 1060 K CA 0.221 56.513 56.287 0.007 0.000 1.077 1060 K CB 0.036 32.494 32.500 -0.071 0.000 0.833 1060 K HN 0.471 nan 8.250 nan 0.000 0.517 1061 I N -0.048 120.562 120.570 0.065 0.000 2.569 1061 I HA 0.280 4.450 4.170 -0.001 0.000 0.296 1061 I C -1.158 175.068 176.117 0.180 0.000 1.028 1061 I CA -1.308 60.052 61.300 0.100 0.000 1.082 1061 I CB 1.567 39.588 38.000 0.035 0.000 1.264 1061 I HN -0.151 nan 8.210 nan 0.000 0.429 1062 Y N 5.684 125.998 120.300 0.023 0.000 2.504 1062 Y HA 0.633 5.183 4.550 -0.001 0.000 0.344 1062 Y C -1.388 174.499 175.900 -0.023 0.000 1.023 1062 Y CA -0.892 57.209 58.100 0.002 0.000 1.020 1062 Y CB 1.701 40.169 38.460 0.014 0.000 1.282 1062 Y HN 0.333 nan 8.280 nan 0.000 0.454 1063 I N 4.237 124.447 120.570 -0.599 0.000 2.389 1063 I HA 0.263 4.432 4.170 -0.001 0.000 0.288 1063 I C 0.425 176.034 176.117 -0.847 0.000 0.999 1063 I CA -0.280 60.675 61.300 -0.575 0.000 1.129 1063 I CB 2.079 39.728 38.000 -0.585 0.000 1.288 1063 I HN 0.702 nan 8.210 nan 0.000 0.444 1064 S N 4.905 120.335 115.700 -0.450 0.000 2.427 1064 S HA 0.139 4.608 4.470 -0.001 0.000 0.224 1064 S C 0.294 174.772 174.600 -0.204 0.000 1.047 1064 S CA 0.545 58.598 58.200 -0.245 0.000 0.953 1064 S CB 0.260 63.507 63.200 0.078 0.000 0.824 1064 S HN 0.829 nan 8.310 nan 0.000 0.502 1065 E N -1.268 118.800 120.200 -0.220 0.000 2.427 1065 E HA 0.285 4.635 4.350 -0.001 0.000 0.279 1065 E C -1.702 174.794 176.600 -0.173 0.000 1.120 1065 E CA -0.948 55.371 56.400 -0.134 0.000 0.869 1065 E CB 0.543 30.224 29.700 -0.031 0.000 1.393 1065 E HN -0.035 nan 8.360 nan 0.000 0.443 1066 T N 1.199 115.686 114.554 -0.111 0.000 2.824 1066 T HA 0.654 5.003 4.350 -0.001 0.000 0.280 1066 T C -0.806 173.842 174.700 -0.087 0.000 0.995 1066 T CA -0.403 61.608 62.100 -0.148 0.000 1.009 1066 T CB 1.145 69.927 68.868 -0.143 0.000 0.955 1066 T HN 0.588 nan 8.240 nan 0.000 0.452 1067 S N 0.159 115.809 115.700 -0.084 0.000 2.537 1067 S HA 0.405 4.875 4.470 -0.001 0.000 0.270 1067 S C 0.987 175.559 174.600 -0.047 0.000 1.142 1067 S CA -0.642 57.525 58.200 -0.055 0.000 0.870 1067 S CB 1.348 64.530 63.200 -0.031 0.000 1.112 1067 S HN 0.714 nan 8.310 nan 0.000 0.466 1068 T N -0.919 113.607 114.554 -0.046 0.000 3.035 1068 T HA -0.082 4.267 4.350 -0.001 0.000 0.268 1068 T C 1.174 175.862 174.700 -0.019 0.000 1.109 1068 T CA 1.243 63.322 62.100 -0.034 0.000 1.119 1068 T CB -0.768 68.073 68.868 -0.045 0.000 0.900 1068 T HN 0.743 nan 8.240 nan 0.000 0.503 1069 N N 1.612 120.302 118.700 -0.016 0.000 2.398 1069 N HA -0.015 4.725 4.740 -0.001 0.000 0.188 1069 N C 1.340 176.862 175.510 0.020 0.000 1.122 1069 N CA 0.955 54.006 53.050 0.001 0.000 0.866 1069 N CB -0.358 38.130 38.487 0.001 0.000 0.970 1069 N HN 0.666 nan 8.380 nan 0.000 0.462 1070 T N -3.335 111.227 114.554 0.014 0.000 3.085 1070 T HA 0.278 4.627 4.350 -0.001 0.000 0.241 1070 T C 0.409 175.123 174.700 0.023 0.000 0.988 1070 T CA -0.000 62.115 62.100 0.025 0.000 1.117 1070 T CB -0.045 68.826 68.868 0.006 0.000 0.978 1070 T HN -0.101 nan 8.240 nan 0.000 0.454 1071 V N 4.705 124.626 119.914 0.012 0.000 2.419 1071 V HA 0.493 4.613 4.120 -0.001 0.000 0.287 1071 V C -2.593 173.525 176.094 0.041 0.000 1.017 1071 V CA -1.990 60.336 62.300 0.043 0.000 0.844 1071 V CB 1.745 33.599 31.823 0.053 0.000 1.011 1071 V HN 0.346 nan 8.190 nan 0.000 0.429 1072 P HA 0.356 nan 4.420 nan 0.000 0.278 1072 P C -0.167 177.169 177.300 0.059 0.000 1.258 1072 P CA -0.273 62.848 63.100 0.034 0.000 0.811 1072 P CB 0.609 32.322 31.700 0.021 0.000 1.063 1073 N N -1.911 116.808 118.700 0.033 0.000 2.735 1073 N HA -0.127 4.613 4.740 -0.001 0.000 0.248 1073 N C -0.180 175.377 175.510 0.078 0.000 1.083 1073 N CA 1.003 54.077 53.050 0.041 0.000 0.703 1073 N CB -2.258 36.255 38.487 0.044 0.000 1.005 1073 N HN 0.631 nan 8.380 nan 0.000 0.550 1074 S N -1.747 113.998 115.700 0.074 0.000 2.584 1074 S HA 0.531 5.001 4.470 -0.001 0.000 0.273 1074 S C 0.686 175.330 174.600 0.073 0.000 1.311 1074 S CA -0.661 57.611 58.200 0.120 0.000 1.034 1074 S CB 1.921 65.192 63.200 0.118 0.000 0.939 1074 S HN 0.182 nan 8.310 nan 0.000 0.513 1075 S N 3.585 119.330 115.700 0.076 0.000 2.584 1075 S HA 0.327 4.797 4.470 -0.001 0.000 0.270 1075 S C -2.062 172.571 174.600 0.054 0.000 1.346 1075 S CA -0.795 57.378 58.200 -0.045 0.000 1.018 1075 S CB -0.241 62.823 63.200 -0.226 0.000 0.899 1075 S HN 0.726 nan 8.310 nan 0.000 0.542 1076 P HA 0.048 nan 4.420 nan 0.000 0.268 1076 P C -0.708 176.727 177.300 0.226 0.000 1.208 1076 P CA -0.128 63.032 63.100 0.100 0.000 0.777 1076 P CB 0.009 31.771 31.700 0.103 0.000 0.875 1077 T N 1.659 116.315 114.554 0.170 0.000 2.855 1077 T HA 0.503 4.853 4.350 -0.001 0.000 0.290 1077 T C 0.252 175.038 174.700 0.143 0.000 0.941 1077 T CA 0.255 62.468 62.100 0.188 0.000 1.030 1077 T CB -0.546 68.376 68.868 0.089 0.000 0.935 1077 T HN 0.624 nan 8.240 nan 0.000 0.564 1078 A N 2.109 125.025 122.820 0.160 0.000 2.536 1078 A HA 0.838 5.158 4.320 -0.001 0.000 0.293 1078 A C 0.557 177.964 177.584 -0.296 0.000 1.119 1078 A CA -0.313 51.740 52.037 0.027 0.000 0.654 1078 A CB 0.116 19.206 19.000 0.149 0.000 1.291 1078 A HN 1.506 nan 8.150 nan 0.000 0.439 1079 A N -0.786 121.785 122.820 -0.416 0.000 2.861 1079 A HA 0.031 4.351 4.320 -0.001 0.000 0.261 1079 A C 1.284 178.675 177.584 -0.321 0.000 1.351 1079 A CA 1.876 53.571 52.037 -0.570 0.000 0.904 1079 A CB -2.470 15.707 19.000 -1.372 0.000 1.076 1079 A HN 2.521 nan 8.150 nan 0.000 0.729 1080 S N -4.552 111.045 115.700 -0.171 0.000 3.011 1080 S HA -0.361 4.108 4.470 -0.001 0.000 0.278 1080 S C 1.130 175.675 174.600 -0.092 0.000 1.300 1080 S CA 2.032 60.178 58.200 -0.089 0.000 1.248 1080 S CB -2.406 60.758 63.200 -0.058 0.000 1.517 1080 S HN 2.301 nan 8.310 nan 0.000 0.685 1081 V N -1.612 118.204 119.914 -0.164 0.000 3.633 1081 V HA 0.263 4.382 4.120 -0.001 0.000 0.283 1081 V C 1.628 177.691 176.094 -0.053 0.000 1.305 1081 V CA 0.994 63.223 62.300 -0.119 0.000 1.153 1081 V CB 0.176 31.885 31.823 -0.190 0.000 0.950 1081 V HN 0.393 nan 8.190 nan 0.000 0.432 1082 S N 1.442 117.154 115.700 0.020 0.000 2.368 1082 S HA -0.160 4.309 4.470 -0.001 0.000 0.224 1082 S C 1.992 176.662 174.600 0.117 0.000 1.029 1082 S CA 2.078 60.375 58.200 0.163 0.000 0.988 1082 S CB -0.475 62.905 63.200 0.301 0.000 0.838 1082 S HN 0.746 nan 8.310 nan 0.000 0.462 1083 T N 2.307 116.889 114.554 0.047 0.000 2.746 1083 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 1083 T C 1.369 176.039 174.700 -0.049 0.000 1.039 1083 T CA 1.548 63.652 62.100 0.008 0.000 1.142 1083 T CB -0.536 68.336 68.868 0.007 0.000 0.866 1083 T HN 0.315 nan 8.240 nan 0.000 0.444 1084 D N 1.283 121.649 120.400 -0.056 0.000 2.084 1084 D HA -0.058 4.582 4.640 -0.001 0.000 0.194 1084 D C 2.157 178.305 176.300 -0.254 0.000 0.990 1084 D CA 1.081 55.016 54.000 -0.109 0.000 0.826 1084 D CB -0.401 40.398 40.800 -0.002 0.000 0.971 1084 D HN 0.561 nan 8.370 nan 0.000 0.453 1085 I N -2.516 117.912 120.570 -0.236 0.000 2.333 1085 I HA -0.131 4.039 4.170 -0.001 0.000 0.246 1085 I C 1.784 177.669 176.117 -0.387 0.000 1.106 1085 I CA 1.009 62.123 61.300 -0.311 0.000 1.411 1085 I CB -0.627 37.213 38.000 -0.267 0.000 1.082 1085 I HN -0.050 nan 8.210 nan 0.000 0.420 1086 Y N 2.181 122.434 120.300 -0.080 0.000 2.395 1086 Y HA 0.145 4.694 4.550 -0.001 0.000 0.293 1086 Y C 2.794 178.602 175.900 -0.152 0.000 1.123 1086 Y CA 0.811 58.853 58.100 -0.097 0.000 1.227 1086 Y CB -0.498 37.880 38.460 -0.136 0.000 1.012 1086 Y HN 0.209 nan 8.280 nan 0.000 0.552 1087 G N -0.262 108.490 108.800 -0.080 0.000 2.421 1087 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.216 1087 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.216 1087 G C 1.471 176.286 174.900 -0.143 0.000 1.171 1087 G CA 0.987 46.023 45.100 -0.108 0.000 0.775 1087 G HN 0.253 nan 8.290 nan 0.000 0.543 1088 Q N 0.484 120.109 119.800 -0.292 0.000 2.050 1088 Q HA 0.125 4.464 4.340 -0.001 0.000 0.202 1088 Q C 2.841 178.801 176.000 -0.066 0.000 0.980 1088 Q CA 1.803 57.401 55.803 -0.341 0.000 0.840 1088 Q CB -0.674 27.494 28.738 -0.949 0.000 0.898 1088 Q HN 0.380 nan 8.270 nan 0.000 0.424 1089 A N -0.577 122.228 122.820 -0.025 0.000 1.873 1089 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 1089 A C 2.293 179.944 177.584 0.112 0.000 1.193 1089 A CA 1.964 54.057 52.037 0.093 0.000 0.629 1089 A CB -1.125 17.959 19.000 0.139 0.000 0.826 1089 A HN 0.274 nan 8.150 nan 0.000 0.447 1090 V N -1.524 118.447 119.914 0.095 0.000 2.287 1090 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 1090 V C 2.349 178.497 176.094 0.090 0.000 1.053 1090 V CA 2.231 64.582 62.300 0.086 0.000 1.027 1090 V CB -1.010 30.847 31.823 0.058 0.000 0.646 1090 V HN 0.718 nan 8.190 nan 0.000 0.447 1091 Y N 1.119 121.399 120.300 -0.032 0.000 2.128 1091 Y HA -0.237 4.312 4.550 -0.001 0.000 0.284 1091 Y C 2.641 178.539 175.900 -0.002 0.000 1.154 1091 Y CA 2.083 60.160 58.100 -0.039 0.000 1.149 1091 Y CB -0.097 38.276 38.460 -0.146 0.000 0.976 1091 Y HN 0.226 nan 8.280 nan 0.000 0.505 1092 E N 0.380 120.630 120.200 0.083 0.000 2.051 1092 E HA -0.204 4.145 4.350 -0.001 0.000 0.192 1092 E C 2.443 179.031 176.600 -0.020 0.000 0.991 1092 E CA 1.172 57.588 56.400 0.027 0.000 0.799 1092 E CB -0.877 28.904 29.700 0.135 0.000 0.748 1092 E HN 0.579 nan 8.360 nan 0.000 0.449 1093 A N 0.765 123.600 122.820 0.025 0.000 1.908 1093 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 1093 A C 2.660 180.242 177.584 -0.004 0.000 1.181 1093 A CA 1.636 53.690 52.037 0.028 0.000 0.627 1093 A CB -0.987 18.044 19.000 0.052 0.000 0.818 1093 A HN 0.361 nan 8.150 nan 0.000 0.445 1094 C N -1.011 118.262 119.300 -0.045 0.000 2.429 1094 C HA -0.100 4.360 4.460 -0.001 0.000 0.277 1094 C C 2.908 177.846 174.990 -0.087 0.000 1.262 1094 C CA 1.107 60.097 59.018 -0.047 0.000 1.733 1094 C CB -1.072 26.623 27.740 -0.075 0.000 2.010 1094 C HN 0.606 nan 8.230 nan 0.000 0.483 1095 Q N 0.510 120.179 119.800 -0.219 0.000 2.061 1095 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 1095 Q C 2.230 178.194 176.000 -0.060 0.000 0.984 1095 Q CA 2.149 57.839 55.803 -0.187 0.000 0.846 1095 Q CB -1.283 27.298 28.738 -0.263 0.000 0.902 1095 Q HN 0.652 nan 8.270 nan 0.000 0.421 1096 T N 1.833 116.368 114.554 -0.031 0.000 2.684 1096 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 1096 T C 2.058 176.776 174.700 0.030 0.000 1.036 1096 T CA 1.245 63.351 62.100 0.009 0.000 1.148 1096 T CB -0.311 68.571 68.868 0.023 0.000 0.863 1096 T HN 0.202 nan 8.240 nan 0.000 0.436 1097 I N 0.709 121.307 120.570 0.046 0.000 2.163 1097 I HA -0.171 3.999 4.170 -0.001 0.000 0.243 1097 I C 2.368 178.544 176.117 0.098 0.000 1.085 1097 I CA 1.275 62.626 61.300 0.085 0.000 1.347 1097 I CB -0.413 37.667 38.000 0.134 0.000 1.044 1097 I HN 0.214 nan 8.210 nan 0.000 0.408 1098 L N 0.367 121.645 121.223 0.093 0.000 2.042 1098 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 1098 L C 2.572 179.468 176.870 0.045 0.000 1.076 1098 L CA 1.633 56.528 54.840 0.092 0.000 0.749 1098 L CB -0.684 41.414 42.059 0.064 0.000 0.893 1098 L HN 0.270 nan 8.230 nan 0.000 0.432 1099 K N -0.106 120.310 120.400 0.026 0.000 2.097 1099 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 1099 K C 2.209 178.824 176.600 0.025 0.000 1.049 1099 K CA 1.188 57.482 56.287 0.012 0.000 0.933 1099 K CB -0.099 32.406 32.500 0.007 0.000 0.717 1099 K HN 0.301 nan 8.250 nan 0.000 0.442 1100 R N 0.529 121.061 120.500 0.052 0.000 2.115 1100 R HA 0.010 4.349 4.340 -0.001 0.000 0.226 1100 R C 2.146 178.544 176.300 0.164 0.000 1.100 1100 R CA 0.785 56.939 56.100 0.090 0.000 0.980 1100 R CB -0.084 30.263 30.300 0.078 0.000 0.875 1100 R HN 0.159 nan 8.270 nan 0.000 0.445 1101 L N 0.126 121.422 121.223 0.122 0.000 2.418 1101 L HA -0.027 4.312 4.340 -0.001 0.000 0.218 1101 L C 2.211 179.127 176.870 0.077 0.000 1.125 1101 L CA 0.352 55.289 54.840 0.161 0.000 0.835 1101 L CB -0.142 41.952 42.059 0.059 0.000 0.953 1101 L HN 0.081 nan 8.230 nan 0.000 0.454 1102 E N 1.333 121.518 120.200 -0.025 0.000 2.070 1102 E HA -0.206 4.143 4.350 -0.001 0.000 0.197 1102 E C -0.640 175.825 176.600 -0.225 0.000 1.004 1102 E CA 1.884 58.203 56.400 -0.136 0.000 0.805 1102 E CB -1.083 28.558 29.700 -0.097 0.000 0.744 1102 E HN 0.237 nan 8.360 nan 0.000 0.451 1103 P HA -0.115 nan 4.420 nan 0.000 0.218 1103 P C 0.890 177.842 177.300 -0.579 0.000 1.148 1103 P CA 1.298 64.099 63.100 -0.499 0.000 0.822 1103 P CB -0.153 31.101 31.700 -0.743 0.000 0.784 1104 F N -0.314 119.537 119.950 -0.165 0.000 2.234 1104 F HA 0.013 4.540 4.527 -0.001 0.000 0.296 1104 F C 2.418 178.028 175.800 -0.316 0.000 1.089 1104 F CA 1.009 58.923 58.000 -0.143 0.000 1.343 1104 F CB -0.658 38.304 39.000 -0.062 0.000 1.040 1104 F HN -0.218 nan 8.300 nan 0.000 0.498 1105 K N 1.007 121.082 120.400 -0.542 0.000 2.009 1105 K HA -0.214 4.106 4.320 -0.001 0.000 0.210 1105 K C 2.008 178.371 176.600 -0.394 0.000 1.049 1105 K CA 1.607 57.283 56.287 -1.019 0.000 0.929 1105 K CB -0.094 31.796 32.500 -1.017 0.000 0.714 1105 K HN 0.148 nan 8.250 nan 0.000 0.440 1106 K N 0.457 120.692 120.400 -0.276 0.000 2.103 1106 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 1106 K C 2.005 178.554 176.600 -0.085 0.000 1.048 1106 K CA 1.526 57.720 56.287 -0.156 0.000 0.930 1106 K CB -0.042 32.362 32.500 -0.160 0.000 0.716 1106 K HN 0.141 nan 8.250 nan 0.000 0.444 1107 K N 0.288 120.640 120.400 -0.081 0.000 2.211 1107 K HA -0.086 4.234 4.320 -0.001 0.000 0.203 1107 K C 0.845 177.494 176.600 0.082 0.000 1.050 1107 K CA 0.773 57.059 56.287 -0.002 0.000 0.945 1107 K CB 0.032 32.540 32.500 0.012 0.000 0.732 1107 K HN -0.013 nan 8.250 nan 0.000 0.451 1108 N N -0.211 118.579 118.700 0.149 0.000 2.672 1108 N HA 0.114 4.854 4.740 -0.001 0.000 0.295 1108 N C -2.351 173.391 175.510 0.385 0.000 1.924 1108 N CA -1.786 51.429 53.050 0.274 0.000 0.851 1108 N CB 0.848 39.566 38.487 0.385 0.000 1.281 1108 N HN -0.175 nan 8.380 nan 0.000 0.494 1109 P HA -0.017 nan 4.420 nan 0.000 0.222 1109 P C -0.199 177.286 177.300 0.308 0.000 1.147 1109 P CA 1.142 64.379 63.100 0.229 0.000 0.790 1109 P CB 0.437 32.201 31.700 0.107 0.000 0.780 1110 D N -0.477 120.064 120.400 0.234 0.000 2.388 1110 D HA 0.165 4.805 4.640 -0.001 0.000 0.221 1110 D C 1.317 177.696 176.300 0.132 0.000 1.133 1110 D CA 0.125 54.227 54.000 0.171 0.000 0.831 1110 D CB 0.224 41.086 40.800 0.102 0.000 0.962 1110 D HN 0.122 nan 8.370 nan 0.000 0.502 1111 G N 0.472 109.391 108.800 0.198 0.000 2.525 1111 G HA2 0.409 4.368 3.960 -0.001 0.000 0.287 1111 G HA3 0.409 4.368 3.960 -0.001 0.000 0.287 1111 G C 0.160 174.776 174.900 -0.473 0.000 1.350 1111 G CA -0.301 44.768 45.100 -0.051 0.000 1.039 1111 G HN 0.162 nan 8.290 nan 0.000 0.513 1112 S N -1.606 113.659 115.700 -0.725 0.000 2.664 1112 S HA 0.253 4.722 4.470 -0.001 0.000 0.304 1112 S C 0.931 174.844 174.600 -1.145 0.000 1.099 1112 S CA -0.618 57.117 58.200 -0.776 0.000 1.003 1112 S CB 1.501 64.504 63.200 -0.328 0.000 1.092 1112 S HN 0.809 nan 8.310 nan 0.000 0.525 1113 W N 1.532 122.337 121.300 -0.824 0.000 2.304 1113 W HA -0.238 4.421 4.660 -0.000 0.000 0.315 1113 W C 1.102 177.510 176.519 -0.185 0.000 1.233 1113 W CA 2.460 59.598 57.345 -0.346 0.000 1.261 1113 W CB -0.483 28.918 29.460 -0.098 0.000 1.150 1113 W HN 0.865 nan 8.180 nan 0.000 0.494 1114 E N 0.658 120.770 120.200 -0.147 0.000 2.077 1114 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 1114 E C 1.686 178.155 176.600 -0.217 0.000 0.989 1114 E CA 2.035 58.333 56.400 -0.169 0.000 0.800 1114 E CB -0.708 28.964 29.700 -0.046 0.000 0.746 1114 E HN 0.215 nan 8.360 nan 0.000 0.452 1115 D N -0.798 119.451 120.400 -0.252 0.000 2.178 1115 D HA -0.132 4.507 4.640 -0.001 0.000 0.202 1115 D C 1.536 177.807 176.300 -0.049 0.000 0.974 1115 D CA 0.667 54.570 54.000 -0.161 0.000 0.841 1115 D CB -0.149 40.546 40.800 -0.175 0.000 0.953 1115 D HN 0.292 nan 8.370 nan 0.000 0.478 1116 W N 1.100 122.323 121.300 -0.128 0.000 2.409 1116 W HA -0.029 4.631 4.660 -0.001 0.000 0.299 1116 W C 2.327 178.650 176.519 -0.326 0.000 1.203 1116 W CA -0.012 57.243 57.345 -0.149 0.000 1.298 1116 W CB -1.263 28.131 29.460 -0.110 0.000 1.127 1116 W HN -0.151 nan 8.180 nan 0.000 0.528 1117 V N 0.874 120.634 119.914 -0.257 0.000 2.261 1117 V HA -0.345 3.775 4.120 -0.001 0.000 0.246 1117 V C 2.313 178.277 176.094 -0.216 0.000 1.047 1117 V CA 2.354 64.441 62.300 -0.355 0.000 1.015 1117 V CB -0.988 30.520 31.823 -0.526 0.000 0.642 1117 V HN 0.047 nan 8.190 nan 0.000 0.446 1118 M N 0.796 120.305 119.600 -0.150 0.000 2.108 1118 M HA -0.117 4.363 4.480 -0.001 0.000 0.261 1118 M C 2.005 178.263 176.300 -0.071 0.000 1.066 1118 M CA 2.222 57.487 55.300 -0.057 0.000 1.107 1118 M CB -0.742 31.832 32.600 -0.043 0.000 1.356 1118 M HN 0.267 nan 8.290 nan 0.000 0.406 1119 A N -0.348 122.388 122.820 -0.141 0.000 1.902 1119 A HA 0.044 4.364 4.320 -0.001 0.000 0.217 1119 A C 2.375 179.569 177.584 -0.649 0.000 1.181 1119 A CA 2.034 53.936 52.037 -0.225 0.000 0.623 1119 A CB -1.418 17.556 19.000 -0.043 0.000 0.818 1119 A HN 0.650 nan 8.150 nan 0.000 0.443 1120 A N -1.342 120.902 122.820 -0.960 0.000 1.902 1120 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 1120 A C 2.133 179.441 177.584 -0.460 0.000 1.181 1120 A CA 1.690 53.044 52.037 -1.138 0.000 0.623 1120 A CB -0.888 17.666 19.000 -0.743 0.000 0.818 1120 A HN 0.754 nan 8.150 nan 0.000 0.443 1121 Y N 0.714 120.809 120.300 -0.341 0.000 2.081 1121 Y HA -0.281 4.268 4.550 -0.001 0.000 0.280 1121 Y C 2.400 178.210 175.900 -0.150 0.000 1.163 1121 Y CA 2.458 60.441 58.100 -0.194 0.000 1.135 1121 Y CB -0.537 37.836 38.460 -0.145 0.000 0.970 1121 Y HN 0.440 nan 8.280 nan 0.000 0.498 1122 Q N -0.962 118.658 119.800 -0.298 0.000 2.364 1122 Q HA -0.151 4.189 4.340 -0.001 0.000 0.207 1122 Q C 0.935 176.790 176.000 -0.241 0.000 0.970 1122 Q CA 1.265 56.888 55.803 -0.300 0.000 0.888 1122 Q CB -0.058 28.629 28.738 -0.086 0.000 0.951 1122 Q HN 0.468 nan 8.270 nan 0.000 0.469 1123 D N -0.098 120.175 120.400 -0.212 0.000 2.340 1123 D HA 0.053 4.693 4.640 -0.001 0.000 0.217 1123 D C -0.578 175.667 176.300 -0.093 0.000 1.081 1123 D CA -0.085 53.872 54.000 -0.073 0.000 0.842 1123 D CB 0.172 41.046 40.800 0.123 0.000 0.934 1123 D HN 0.000 nan 8.370 nan 0.000 0.511 1124 R N -0.670 119.701 120.500 -0.216 0.000 3.336 1124 R HA -0.124 4.215 4.340 -0.001 0.000 0.260 1124 R C -0.922 175.326 176.300 -0.087 0.000 1.032 1124 R CA 0.091 56.080 56.100 -0.185 0.000 0.693 1124 R CB -2.217 27.999 30.300 -0.140 0.000 1.134 1124 R HN 0.034 nan 8.270 nan 0.000 0.433 1125 V N 0.886 120.748 119.914 -0.086 0.000 2.394 1125 V HA 0.189 4.308 4.120 -0.001 0.000 0.282 1125 V C 0.915 176.994 176.094 -0.024 0.000 1.031 1125 V CA -0.328 61.960 62.300 -0.019 0.000 0.881 1125 V CB 1.819 33.658 31.823 0.027 0.000 0.982 1125 V HN 0.370 nan 8.190 nan 0.000 0.451 1126 S N 4.793 120.493 115.700 0.001 0.000 2.533 1126 S HA 0.267 4.736 4.470 -0.001 0.000 0.282 1126 S C 0.427 175.033 174.600 0.011 0.000 1.304 1126 S CA -0.318 57.887 58.200 0.009 0.000 1.063 1126 S CB 0.072 63.281 63.200 0.015 0.000 0.881 1126 S HN 0.597 nan 8.310 nan 0.000 0.493 1127 L N 4.280 125.506 121.223 0.006 0.000 2.848 1127 L HA 0.329 4.669 4.340 -0.001 0.000 0.240 1127 L C 0.527 177.408 176.870 0.019 0.000 1.232 1127 L CA -0.192 54.646 54.840 -0.003 0.000 1.031 1127 L CB 0.312 42.349 42.059 -0.036 0.000 1.338 1127 L HN 0.506 nan 8.230 nan 0.000 0.509 1128 S N -0.528 115.200 115.700 0.048 0.000 2.532 1128 S HA 0.707 5.176 4.470 -0.001 0.000 0.299 1128 S C -0.582 174.076 174.600 0.097 0.000 1.105 1128 S CA -0.287 57.990 58.200 0.128 0.000 1.018 1128 S CB 1.896 65.180 63.200 0.139 0.000 1.021 1128 S HN 0.122 nan 8.310 nan 0.000 0.483 1129 T N 1.986 116.597 114.554 0.095 0.000 2.889 1129 T HA 0.620 4.970 4.350 -0.001 0.000 0.315 1129 T C -0.444 174.291 174.700 0.059 0.000 1.291 1129 T CA -0.380 61.761 62.100 0.067 0.000 1.028 1129 T CB 1.388 70.289 68.868 0.055 0.000 1.235 1129 T HN 0.810 nan 8.240 nan 0.000 0.491 1130 T N 0.452 115.046 114.554 0.065 0.000 2.847 1130 T HA 0.797 5.147 4.350 -0.001 0.000 0.279 1130 T C 0.425 175.188 174.700 0.105 0.000 0.984 1130 T CA -0.380 61.770 62.100 0.083 0.000 0.988 1130 T CB 1.253 70.171 68.868 0.084 0.000 1.040 1130 T HN 0.991 nan 8.240 nan 0.000 0.528 1131 G N -0.127 108.765 108.800 0.154 0.000 2.719 1131 G HA2 0.600 4.559 3.960 -0.001 0.000 0.298 1131 G HA3 0.600 4.559 3.960 -0.001 0.000 0.298 1131 G C -2.153 172.930 174.900 0.304 0.000 1.411 1131 G CA -0.759 44.452 45.100 0.186 0.000 0.991 1131 G HN 0.700 nan 8.290 nan 0.000 0.509 1132 F N 1.200 121.216 119.950 0.109 0.000 2.619 1132 F HA 0.749 5.275 4.527 -0.001 0.000 0.308 1132 F C -1.818 174.088 175.800 0.177 0.000 1.097 1132 F CA -1.178 56.894 58.000 0.120 0.000 0.953 1132 F CB 2.393 41.438 39.000 0.076 0.000 1.287 1132 F HN 0.569 nan 8.300 nan 0.000 0.446 1133 Y N 4.951 124.917 120.300 -0.557 0.000 2.492 1133 Y HA 0.616 5.165 4.550 -0.001 0.000 0.346 1133 Y C -1.436 174.114 175.900 -0.584 0.000 0.997 1133 Y CA -1.077 56.790 58.100 -0.388 0.000 1.025 1133 Y CB 1.471 39.766 38.460 -0.275 0.000 1.263 1133 Y HN 0.694 nan 8.280 nan 0.000 0.454 1134 R N 4.129 124.110 120.500 -0.865 0.000 2.435 1134 R HA 0.400 4.740 4.340 -0.001 0.000 0.308 1134 R C -1.296 174.403 176.300 -1.002 0.000 0.975 1134 R CA -0.470 55.221 56.100 -0.682 0.000 0.867 1134 R CB 1.114 31.280 30.300 -0.223 0.000 1.171 1134 R HN 0.823 nan 8.270 nan 0.000 0.470 1135 T N 7.186 121.221 114.554 -0.865 0.000 2.829 1135 T HA 0.121 4.470 4.350 -0.001 0.000 0.293 1135 T C -2.080 172.368 174.700 -0.419 0.000 0.970 1135 T CA -0.562 61.117 62.100 -0.701 0.000 1.168 1135 T CB 0.615 69.234 68.868 -0.415 0.000 0.911 1135 T HN 0.475 nan 8.240 nan 0.000 0.535 1136 P HA 0.266 nan 4.420 nan 0.000 0.276 1136 P C -0.059 177.220 177.300 -0.036 0.000 1.244 1136 P CA -0.531 62.494 63.100 -0.125 0.000 0.801 1136 P CB 0.456 32.136 31.700 -0.032 0.000 1.006 1137 N N -0.804 117.886 118.700 -0.016 0.000 2.780 1137 N HA -0.137 4.603 4.740 -0.001 0.000 0.248 1137 N C -0.818 174.697 175.510 0.009 0.000 1.102 1137 N CA 0.786 53.845 53.050 0.016 0.000 0.697 1137 N CB -1.976 36.545 38.487 0.057 0.000 1.028 1137 N HN 0.450 nan 8.380 nan 0.000 0.554 1138 L N -0.400 120.807 121.223 -0.027 0.000 2.329 1138 L HA 0.753 5.092 4.340 -0.001 0.000 0.279 1138 L C 0.967 177.815 176.870 -0.036 0.000 1.014 1138 L CA -0.499 54.312 54.840 -0.048 0.000 0.814 1138 L CB 2.029 44.038 42.059 -0.083 0.000 1.257 1138 L HN 0.203 nan 8.230 nan 0.000 0.424 1139 G N 1.857 110.637 108.800 -0.033 0.000 3.559 1139 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.239 1139 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.239 1139 G C -1.430 173.475 174.900 0.009 0.000 3.928 1139 G CA -0.638 44.459 45.100 -0.004 0.000 0.458 1139 G HN 0.399 nan 8.290 nan 0.000 0.270 1140 Y N 1.950 122.179 120.300 -0.117 0.000 2.359 1140 Y HA 0.628 5.178 4.550 -0.001 0.000 0.330 1140 Y C 0.402 176.283 175.900 -0.031 0.000 1.143 1140 Y CA 0.099 58.126 58.100 -0.121 0.000 1.318 1140 Y CB 1.605 39.908 38.460 -0.261 0.000 1.234 1140 Y HN 0.341 nan 8.280 nan 0.000 0.522 1141 S N 5.931 121.134 115.700 -0.829 0.000 2.456 1141 S HA 0.302 4.772 4.470 -0.001 0.000 0.316 1141 S C 0.334 174.427 174.600 -0.846 0.000 1.089 1141 S CA -0.701 57.170 58.200 -0.549 0.000 1.101 1141 S CB 0.042 63.085 63.200 -0.262 0.000 0.995 1141 S HN 0.730 nan 8.310 nan 0.000 0.468 1142 F N 2.611 122.367 119.950 -0.323 0.000 2.333 1142 F HA 0.018 4.545 4.527 -0.001 0.000 0.300 1142 F C 2.324 178.085 175.800 -0.065 0.000 1.083 1142 F CA 1.133 59.092 58.000 -0.068 0.000 1.395 1142 F CB 0.068 39.122 39.000 0.090 0.000 1.056 1142 F HN 0.691 nan 8.300 nan 0.000 0.529 1143 E N 0.033 120.266 120.200 0.054 0.000 2.051 1143 E HA -0.157 4.192 4.350 -0.001 0.000 0.189 1143 E C 1.993 178.584 176.600 -0.015 0.000 0.979 1143 E CA 1.668 58.087 56.400 0.032 0.000 0.803 1143 E CB -0.004 29.710 29.700 0.023 0.000 0.761 1143 E HN 0.385 nan 8.360 nan 0.000 0.451 1144 T N -1.703 112.802 114.554 -0.082 0.000 3.086 1144 T HA 0.024 4.374 4.350 -0.001 0.000 0.250 1144 T C 0.679 175.326 174.700 -0.089 0.000 1.074 1144 T CA 0.342 62.397 62.100 -0.075 0.000 0.988 1144 T CB -0.092 68.729 68.868 -0.079 0.000 0.988 1144 T HN 0.125 nan 8.240 nan 0.000 0.530 1145 N N 1.816 120.423 118.700 -0.154 0.000 2.705 1145 N HA -0.191 4.549 4.740 -0.001 0.000 0.255 1145 N C -0.556 174.939 175.510 -0.025 0.000 1.008 1145 N CA 0.844 53.849 53.050 -0.075 0.000 0.742 1145 N CB -1.397 37.142 38.487 0.087 0.000 0.906 1145 N HN 0.961 nan 8.380 nan 0.000 0.541 1146 S N -1.684 113.890 115.700 -0.209 0.000 2.615 1146 S HA 0.872 5.342 4.470 -0.001 0.000 0.269 1146 S C 0.059 174.604 174.600 -0.092 0.000 1.161 1146 S CA -0.055 58.112 58.200 -0.054 0.000 0.817 1146 S CB 1.700 64.872 63.200 -0.046 0.000 1.131 1146 S HN 1.469 nan 8.310 nan 0.000 0.467 1147 G N 1.238 110.053 108.800 0.026 0.000 2.788 1147 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.686 1147 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.686 1147 G C -1.257 173.705 174.900 0.104 0.000 1.147 1147 G CA -1.059 44.059 45.100 0.030 0.000 0.755 1147 G HN 0.871 nan 8.290 nan 0.000 0.634 1148 N N 0.286 119.011 118.700 0.042 0.000 2.483 1148 N HA 0.412 5.151 4.740 -0.001 0.000 0.264 1148 N C 1.228 176.647 175.510 -0.151 0.000 1.197 1148 N CA 0.557 53.608 53.050 0.001 0.000 0.927 1148 N CB 1.584 40.073 38.487 0.004 0.000 1.065 1148 N HN 1.096 nan 8.380 nan 0.000 0.461 1149 A N 2.397 124.957 122.820 -0.433 0.000 2.063 1149 A HA 0.243 4.563 4.320 -0.001 0.000 0.211 1149 A C 0.074 176.885 177.584 -1.289 0.000 1.177 1149 A CA 0.556 51.947 52.037 -1.077 0.000 0.759 1149 A CB 0.160 17.816 19.000 -2.239 0.000 0.857 1149 A HN 0.556 nan 8.150 nan 0.000 0.468 1150 F N -3.468 116.233 119.950 -0.416 0.000 2.611 1150 F HA 0.481 5.007 4.527 -0.001 0.000 0.324 1150 F C 1.112 176.743 175.800 -0.282 0.000 1.061 1150 F CA -0.779 56.935 58.000 -0.477 0.000 0.954 1150 F CB 1.055 39.545 39.000 -0.850 0.000 1.301 1150 F HN 0.087 nan 8.300 nan 0.000 0.482 1151 H N 0.197 119.166 119.070 -0.170 0.000 2.403 1151 H HA 0.092 4.648 4.556 -0.001 0.000 0.298 1151 H C -0.908 174.465 175.328 0.074 0.000 1.059 1151 H CA 1.565 57.594 56.048 -0.033 0.000 1.363 1151 H CB 0.220 30.016 29.762 0.056 0.000 1.410 1151 H HN 0.524 nan 8.280 nan 0.000 0.528 1152 Y N -4.405 115.774 120.300 -0.201 0.000 2.925 1152 Y HA 0.418 4.968 4.550 -0.001 0.000 0.349 1152 Y C -1.928 173.700 175.900 -0.454 0.000 1.342 1152 Y CA -1.986 55.991 58.100 -0.204 0.000 1.093 1152 Y CB 0.506 38.900 38.460 -0.109 0.000 1.571 1152 Y HN -0.205 nan 8.280 nan 0.000 0.438 1153 F N 0.117 120.051 119.950 -0.027 0.000 2.563 1153 F HA 0.729 5.255 4.527 -0.001 0.000 0.316 1153 F C -0.132 175.392 175.800 -0.459 0.000 1.076 1153 F CA -0.930 56.834 58.000 -0.394 0.000 0.921 1153 F CB 2.587 41.262 39.000 -0.541 0.000 1.209 1153 F HN 0.512 nan 8.300 nan 0.000 0.462 1154 T N 1.516 115.934 114.554 -0.227 0.000 2.867 1154 T HA 0.564 4.913 4.350 -0.001 0.000 0.282 1154 T C -1.230 173.317 174.700 -0.256 0.000 1.000 1154 T CA -0.433 61.586 62.100 -0.136 0.000 1.042 1154 T CB 0.593 69.489 68.868 0.047 0.000 0.973 1154 T HN 0.333 nan 8.240 nan 0.000 0.465 1155 Y N -0.035 120.357 120.300 0.154 0.000 2.570 1155 Y HA 0.728 5.278 4.550 -0.001 0.000 0.345 1155 Y C 0.632 176.578 175.900 0.078 0.000 1.014 1155 Y CA -0.946 57.206 58.100 0.088 0.000 1.063 1155 Y CB 2.709 41.154 38.460 -0.024 0.000 1.272 1155 Y HN 0.923 nan 8.280 nan 0.000 0.477 1156 G N 0.056 109.006 108.800 0.250 0.000 2.547 1156 G HA2 0.560 4.520 3.960 -0.001 0.000 0.291 1156 G HA3 0.560 4.520 3.960 -0.001 0.000 0.291 1156 G C -2.457 172.552 174.900 0.182 0.000 1.471 1156 G CA -0.680 44.527 45.100 0.178 0.000 0.798 1156 G HN 0.491 nan 8.290 nan 0.000 0.504 1157 V N -0.281 119.718 119.914 0.141 0.000 2.851 1157 V HA 0.856 4.975 4.120 -0.001 0.000 0.307 1157 V C -0.051 176.076 176.094 0.055 0.000 1.129 1157 V CA -0.233 62.149 62.300 0.138 0.000 0.932 1157 V CB 1.622 33.533 31.823 0.147 0.000 1.024 1157 V HN 1.749 nan 8.190 nan 0.000 0.426 1158 A N 2.549 125.394 122.820 0.043 0.000 2.435 1158 A HA 0.859 5.178 4.320 -0.001 0.000 0.304 1158 A C -0.918 176.642 177.584 -0.040 0.000 1.064 1158 A CA -0.514 51.521 52.037 -0.002 0.000 0.727 1158 A CB 1.834 20.870 19.000 0.059 0.000 1.284 1158 A HN 1.251 nan 8.150 nan 0.000 0.415 1159 C N 1.607 120.868 119.300 -0.066 0.000 2.364 1159 C HA 0.845 5.304 4.460 -0.001 0.000 0.324 1159 C C -0.342 174.639 174.990 -0.015 0.000 1.234 1159 C CA -0.121 58.865 59.018 -0.053 0.000 1.417 1159 C CB 0.154 27.841 27.740 -0.087 0.000 2.101 1159 C HN 0.836 nan 8.230 nan 0.000 0.466 1160 S N 3.727 119.444 115.700 0.028 0.000 2.538 1160 S HA 0.588 5.058 4.470 -0.001 0.000 0.288 1160 S C -1.245 173.368 174.600 0.021 0.000 1.108 1160 S CA -0.437 57.783 58.200 0.032 0.000 0.971 1160 S CB 1.671 64.930 63.200 0.098 0.000 1.041 1160 S HN 0.888 nan 8.310 nan 0.000 0.483 1161 E N 1.900 122.095 120.200 -0.008 0.000 2.222 1161 E HA 0.670 5.020 4.350 -0.001 0.000 0.267 1161 E C -1.150 175.431 176.600 -0.032 0.000 0.884 1161 E CA -0.835 55.544 56.400 -0.034 0.000 0.764 1161 E CB 1.380 31.040 29.700 -0.066 0.000 1.169 1161 E HN 0.491 nan 8.360 nan 0.000 0.413 1162 V N 0.618 120.509 119.914 -0.039 0.000 3.040 1162 V HA 0.637 4.756 4.120 -0.001 0.000 0.312 1162 V C -0.876 175.176 176.094 -0.069 0.000 1.115 1162 V CA -0.877 61.415 62.300 -0.013 0.000 0.998 1162 V CB 1.798 33.642 31.823 0.036 0.000 1.042 1162 V HN 0.835 nan 8.190 nan 0.000 0.433 1163 E N 2.746 122.913 120.200 -0.055 0.000 2.176 1163 E HA 0.634 4.984 4.350 -0.001 0.000 0.267 1163 E C -0.758 175.859 176.600 0.028 0.000 0.893 1163 E CA -0.925 55.422 56.400 -0.087 0.000 0.761 1163 E CB 1.865 31.474 29.700 -0.151 0.000 1.133 1163 E HN 0.925 nan 8.360 nan 0.000 0.409 1164 I N 0.739 121.340 120.570 0.051 0.000 2.577 1164 I HA 0.495 4.664 4.170 -0.001 0.000 0.305 1164 I C -0.318 175.866 176.117 0.110 0.000 0.986 1164 I CA -0.823 60.532 61.300 0.092 0.000 1.189 1164 I CB 1.643 39.680 38.000 0.061 0.000 1.355 1164 I HN 0.372 nan 8.210 nan 0.000 0.476 1165 D N 4.759 125.220 120.400 0.102 0.000 2.428 1165 D HA 0.237 4.877 4.640 -0.001 0.000 0.221 1165 D C 0.727 177.093 176.300 0.111 0.000 1.123 1165 D CA -0.408 53.656 54.000 0.106 0.000 0.869 1165 D CB 1.280 42.118 40.800 0.063 0.000 1.032 1165 D HN 0.751 nan 8.370 nan 0.000 0.506 1166 C N 3.165 122.567 119.300 0.171 0.000 2.403 1166 C HA -0.114 4.345 4.460 -0.001 0.000 0.282 1166 C C 2.573 177.655 174.990 0.153 0.000 1.297 1166 C CA 0.336 59.472 59.018 0.197 0.000 1.785 1166 C CB -0.785 27.149 27.740 0.324 0.000 1.963 1166 C HN 0.671 nan 8.230 nan 0.000 0.507 1167 L N 0.426 121.701 121.223 0.088 0.000 2.375 1167 L HA -0.003 4.336 4.340 -0.001 0.000 0.215 1167 L C 2.473 179.283 176.870 -0.099 0.000 1.108 1167 L CA 1.681 56.468 54.840 -0.088 0.000 0.830 1167 L CB -0.389 41.518 42.059 -0.253 0.000 0.959 1167 L HN 0.540 nan 8.230 nan 0.000 0.457 1168 T N -6.061 108.470 114.554 -0.039 0.000 2.958 1168 T HA 0.276 4.625 4.350 -0.001 0.000 0.256 1168 T C 1.474 176.169 174.700 -0.009 0.000 0.983 1168 T CA 0.523 62.598 62.100 -0.041 0.000 0.924 1168 T CB 1.005 69.849 68.868 -0.040 0.000 1.136 1168 T HN 0.267 nan 8.240 nan 0.000 0.506 1169 G N 1.476 110.286 108.800 0.017 0.000 2.179 1169 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.260 1169 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.260 1169 G C -0.131 174.802 174.900 0.056 0.000 0.977 1169 G CA 0.237 45.355 45.100 0.030 0.000 0.641 1169 G HN 0.698 nan 8.290 nan 0.000 0.533 1170 D N 1.149 121.578 120.400 0.048 0.000 2.357 1170 D HA 0.480 5.120 4.640 -0.001 0.000 0.242 1170 D C 0.668 177.040 176.300 0.120 0.000 1.153 1170 D CA 0.552 54.586 54.000 0.057 0.000 0.918 1170 D CB 0.368 41.168 40.800 -0.001 0.000 1.181 1170 D HN 0.644 nan 8.370 nan 0.000 0.435 1171 H N -0.820 118.233 119.070 -0.029 0.000 3.037 1171 H HA 0.550 5.105 4.556 -0.001 0.000 0.355 1171 H C -1.574 173.731 175.328 -0.038 0.000 1.263 1171 H CA -0.997 55.032 56.048 -0.033 0.000 1.129 1171 H CB 1.212 30.948 29.762 -0.043 0.000 1.861 1171 H HN 0.121 nan 8.280 nan 0.000 0.546 1172 K N 1.622 121.949 120.400 -0.121 0.000 2.376 1172 K HA 0.294 4.614 4.320 -0.001 0.000 0.257 1172 K C -1.205 175.366 176.600 -0.049 0.000 0.939 1172 K CA -0.588 55.604 56.287 -0.158 0.000 0.809 1172 K CB 0.977 33.426 32.500 -0.085 0.000 1.121 1172 K HN 0.609 nan 8.250 nan 0.000 0.425 1173 N N 5.445 124.104 118.700 -0.068 0.000 2.411 1173 N HA 0.159 4.899 4.740 -0.001 0.000 0.259 1173 N C 0.428 175.913 175.510 -0.041 0.000 1.103 1173 N CA -0.025 53.022 53.050 -0.005 0.000 0.954 1173 N CB 0.834 39.318 38.487 -0.006 0.000 1.085 1173 N HN 0.580 nan 8.380 nan 0.000 0.485 1174 L N 1.373 122.571 121.223 -0.041 0.000 2.221 1174 L HA 0.199 4.538 4.340 -0.001 0.000 0.202 1174 L C 0.967 177.808 176.870 -0.048 0.000 1.074 1174 L CA 0.595 55.403 54.840 -0.054 0.000 0.795 1174 L CB 0.175 42.188 42.059 -0.078 0.000 0.960 1174 L HN 0.454 nan 8.230 nan 0.000 0.458 1175 R N -1.068 119.401 120.500 -0.052 0.000 2.634 1175 R HA 0.381 4.721 4.340 -0.001 0.000 0.263 1175 R C -1.717 174.543 176.300 -0.067 0.000 1.060 1175 R CA -0.319 55.751 56.100 -0.050 0.000 0.898 1175 R CB 2.024 32.300 30.300 -0.040 0.000 1.253 1175 R HN -0.235 nan 8.270 nan 0.000 0.461 1176 T N 2.420 116.919 114.554 -0.092 0.000 2.971 1176 T HA 0.367 4.716 4.350 -0.001 0.000 0.304 1176 T C -1.789 172.865 174.700 -0.076 0.000 1.038 1176 T CA -0.624 61.391 62.100 -0.141 0.000 1.007 1176 T CB 1.619 70.253 68.868 -0.391 0.000 1.055 1176 T HN 0.578 nan 8.240 nan 0.000 0.451 1177 D N 1.907 122.258 120.400 -0.082 0.000 2.505 1177 D HA 0.633 5.273 4.640 -0.001 0.000 0.249 1177 D C -0.661 175.589 176.300 -0.084 0.000 1.082 1177 D CA -0.341 53.622 54.000 -0.061 0.000 0.839 1177 D CB 1.622 42.386 40.800 -0.060 0.000 1.317 1177 D HN 0.345 nan 8.370 nan 0.000 0.497 1178 I N 1.709 122.237 120.570 -0.069 0.000 2.509 1178 I HA 0.488 4.658 4.170 -0.001 0.000 0.293 1178 I C -0.889 175.209 176.117 -0.031 0.000 1.020 1178 I CA -1.079 60.188 61.300 -0.054 0.000 1.088 1178 I CB 2.106 40.069 38.000 -0.061 0.000 1.267 1178 I HN 0.034 nan 8.210 nan 0.000 0.430 1179 V N 6.220 126.129 119.914 -0.009 0.000 2.483 1179 V HA 0.502 4.621 4.120 -0.001 0.000 0.297 1179 V C -0.507 175.612 176.094 0.041 0.000 1.027 1179 V CA -0.456 61.848 62.300 0.005 0.000 0.855 1179 V CB 1.732 33.553 31.823 -0.003 0.000 0.995 1179 V HN 0.652 nan 8.190 nan 0.000 0.424 1180 M N 4.043 123.669 119.600 0.044 0.000 2.326 1180 M HA 0.524 5.003 4.480 -0.001 0.000 0.306 1180 M C -0.996 175.348 176.300 0.074 0.000 1.054 1180 M CA -0.445 54.897 55.300 0.071 0.000 0.922 1180 M CB 1.761 34.396 32.600 0.059 0.000 1.632 1180 M HN 0.670 nan 8.290 nan 0.000 0.436 1181 D N 3.690 124.156 120.400 0.111 0.000 2.411 1181 D HA 0.307 4.947 4.640 -0.001 0.000 0.225 1181 D C 0.134 176.499 176.300 0.108 0.000 1.156 1181 D CA -0.262 53.809 54.000 0.117 0.000 0.874 1181 D CB 0.691 41.600 40.800 0.182 0.000 1.034 1181 D HN 0.431 nan 8.370 nan 0.000 0.502 1182 V N 2.116 122.074 119.914 0.073 0.000 3.043 1182 V HA 0.593 4.712 4.120 -0.001 0.000 0.357 1182 V C 1.207 177.325 176.094 0.040 0.000 1.372 1182 V CA 0.154 62.492 62.300 0.063 0.000 1.214 1182 V CB -0.485 31.366 31.823 0.046 0.000 1.224 1182 V HN 0.677 nan 8.190 nan 0.000 0.507 1183 G N 1.389 110.211 108.800 0.036 0.000 2.564 1183 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.273 1183 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.273 1183 G C 0.031 174.932 174.900 0.002 0.000 1.242 1183 G CA 0.047 45.148 45.100 0.002 0.000 0.951 1183 G HN 0.937 nan 8.290 nan 0.000 0.564 1184 S N 0.299 115.994 115.700 -0.009 0.000 2.400 1184 S HA 0.521 4.991 4.470 -0.001 0.000 0.295 1184 S C 0.562 175.163 174.600 0.002 0.000 1.113 1184 S CA 0.596 58.795 58.200 -0.003 0.000 1.064 1184 S CB 1.243 64.441 63.200 -0.004 0.000 0.990 1184 S HN 1.195 nan 8.310 nan 0.000 0.502 1185 S N 3.371 119.072 115.700 0.002 0.000 2.549 1185 S HA 0.180 4.650 4.470 -0.001 0.000 0.286 1185 S C 1.329 175.930 174.600 0.001 0.000 1.314 1185 S CA -0.631 57.572 58.200 0.005 0.000 1.062 1185 S CB 0.104 63.305 63.200 0.002 0.000 0.865 1185 S HN 0.668 nan 8.310 nan 0.000 0.498 1186 L N 3.207 124.435 121.223 0.010 0.000 2.156 1186 L HA 0.100 4.440 4.340 -0.001 0.000 0.208 1186 L C 1.045 177.909 176.870 -0.009 0.000 1.095 1186 L CA 0.615 55.460 54.840 0.007 0.000 0.770 1186 L CB -0.220 41.856 42.059 0.028 0.000 0.914 1186 L HN 0.634 nan 8.230 nan 0.000 0.439 1187 N N -0.926 117.771 118.700 -0.005 0.000 2.747 1187 N HA 0.120 4.859 4.740 -0.001 0.000 0.262 1187 N C -2.263 173.245 175.510 -0.003 0.000 1.261 1187 N CA -1.215 51.830 53.050 -0.008 0.000 0.809 1187 N CB 1.516 39.999 38.487 -0.007 0.000 1.450 1187 N HN -0.269 nan 8.380 nan 0.000 0.560 1188 P HA -0.114 nan 4.420 nan 0.000 0.217 1188 P C 1.019 178.314 177.300 -0.008 0.000 1.148 1188 P CA 1.084 64.179 63.100 -0.008 0.000 0.828 1188 P CB 0.375 32.067 31.700 -0.013 0.000 0.783 1189 A N -0.119 122.698 122.820 -0.004 0.000 1.897 1189 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 1189 A C 2.206 179.795 177.584 0.009 0.000 1.181 1189 A CA 1.173 53.209 52.037 -0.002 0.000 0.620 1189 A CB -1.201 17.802 19.000 0.006 0.000 0.821 1189 A HN 0.008 nan 8.150 nan 0.000 0.443 1190 I N 0.697 121.278 120.570 0.017 0.000 2.252 1190 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 1190 I C 1.723 177.855 176.117 0.025 0.000 1.102 1190 I CA 1.510 62.828 61.300 0.031 0.000 1.385 1190 I CB -1.508 36.507 38.000 0.025 0.000 1.064 1190 I HN 0.252 nan 8.210 nan 0.000 0.414 1191 D N 0.708 121.117 120.400 0.015 0.000 2.117 1191 D HA -0.081 4.558 4.640 -0.001 0.000 0.198 1191 D C 2.384 178.689 176.300 0.008 0.000 0.982 1191 D CA 0.955 54.964 54.000 0.015 0.000 0.828 1191 D CB -0.117 40.691 40.800 0.013 0.000 0.967 1191 D HN 0.267 nan 8.370 nan 0.000 0.464 1192 I N 0.872 121.436 120.570 -0.010 0.000 2.226 1192 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 1192 I C 2.470 178.564 176.117 -0.039 0.000 1.100 1192 I CA 1.382 62.660 61.300 -0.038 0.000 1.374 1192 I CB -0.355 37.608 38.000 -0.062 0.000 1.057 1192 I HN 0.034 nan 8.210 nan 0.000 0.413 1193 G N -0.261 108.529 108.800 -0.015 0.000 2.442 1193 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.219 1193 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.219 1193 G C 1.590 176.515 174.900 0.040 0.000 1.141 1193 G CA 0.431 45.534 45.100 0.005 0.000 0.763 1193 G HN 0.291 nan 8.290 nan 0.000 0.554 1194 Q N 0.084 119.913 119.800 0.048 0.000 2.079 1194 Q HA -0.015 4.325 4.340 -0.001 0.000 0.200 1194 Q C 3.024 179.073 176.000 0.082 0.000 0.974 1194 Q CA 0.901 56.748 55.803 0.072 0.000 0.840 1194 Q CB -0.689 28.084 28.738 0.058 0.000 0.898 1194 Q HN 0.405 nan 8.270 nan 0.000 0.430 1195 V N 1.576 121.526 119.914 0.059 0.000 2.287 1195 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 1195 V C 2.123 178.302 176.094 0.141 0.000 1.053 1195 V CA 2.073 64.421 62.300 0.081 0.000 1.027 1195 V CB -0.518 31.326 31.823 0.036 0.000 0.646 1195 V HN 0.396 nan 8.190 nan 0.000 0.447 1196 E N 0.138 120.381 120.200 0.071 0.000 2.072 1196 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 1196 E C 2.332 179.092 176.600 0.267 0.000 0.985 1196 E CA 1.146 57.627 56.400 0.134 0.000 0.801 1196 E CB -0.504 29.101 29.700 -0.159 0.000 0.750 1196 E HN 0.647 nan 8.360 nan 0.000 0.452 1197 G N 1.328 110.227 108.800 0.165 0.000 2.433 1197 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.216 1197 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.216 1197 G C 1.709 176.701 174.900 0.154 0.000 1.186 1197 G CA 0.922 46.117 45.100 0.158 0.000 0.779 1197 G HN 0.346 nan 8.290 nan 0.000 0.543 1198 A N 0.596 123.515 122.820 0.165 0.000 1.865 1198 A HA -0.001 4.319 4.320 -0.001 0.000 0.217 1198 A C 2.209 179.871 177.584 0.130 0.000 1.191 1198 A CA 1.752 53.868 52.037 0.131 0.000 0.623 1198 A CB -0.741 18.328 19.000 0.114 0.000 0.826 1198 A HN 0.470 nan 8.150 nan 0.000 0.444 1199 F N 0.891 120.894 119.950 0.089 0.000 2.120 1199 F HA -0.215 4.312 4.527 -0.001 0.000 0.300 1199 F C 2.117 177.947 175.800 0.050 0.000 1.095 1199 F CA 2.261 60.318 58.000 0.094 0.000 1.249 1199 F CB -0.267 38.839 39.000 0.177 0.000 0.995 1199 F HN 0.030 nan 8.300 nan 0.000 0.480 1200 V N 0.167 120.135 119.914 0.091 0.000 2.548 1200 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 1200 V C 2.277 178.259 176.094 -0.187 0.000 1.055 1200 V CA 1.931 64.180 62.300 -0.085 0.000 1.065 1200 V CB -0.709 31.169 31.823 0.092 0.000 0.681 1200 V HN 0.416 nan 8.190 nan 0.000 0.462 1201 Q N 0.028 119.745 119.800 -0.138 0.000 2.119 1201 Q HA -0.122 4.218 4.340 -0.001 0.000 0.201 1201 Q C 2.356 178.179 176.000 -0.295 0.000 0.972 1201 Q CA 1.601 57.290 55.803 -0.191 0.000 0.847 1201 Q CB -0.377 28.283 28.738 -0.131 0.000 0.903 1201 Q HN 0.726 nan 8.270 nan 0.000 0.433 1202 G N 1.164 109.788 108.800 -0.293 0.000 2.394 1202 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.215 1202 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.215 1202 G C 1.437 176.137 174.900 -0.333 0.000 1.165 1202 G CA 0.856 45.750 45.100 -0.344 0.000 0.784 1202 G HN 0.368 nan 8.290 nan 0.000 0.535 1203 L N 1.488 122.447 121.223 -0.441 0.000 2.079 1203 L HA 0.139 4.479 4.340 -0.001 0.000 0.210 1203 L C 2.428 179.156 176.870 -0.238 0.000 1.081 1203 L CA 2.445 57.071 54.840 -0.356 0.000 0.752 1203 L CB -1.298 40.431 42.059 -0.551 0.000 0.896 1203 L HN 0.090 nan 8.230 nan 0.000 0.433 1204 G N -0.024 108.605 108.800 -0.284 0.000 2.402 1204 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 1204 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 1204 G C 1.560 176.264 174.900 -0.325 0.000 1.162 1204 G CA 0.876 45.812 45.100 -0.274 0.000 0.777 1204 G HN 0.478 nan 8.290 nan 0.000 0.539 1205 L N -0.103 120.837 121.223 -0.471 0.000 2.013 1205 L HA 0.031 4.371 4.340 -0.001 0.000 0.212 1205 L C 2.406 178.912 176.870 -0.607 0.000 1.073 1205 L CA 1.821 56.270 54.840 -0.653 0.000 0.753 1205 L CB -0.625 40.807 42.059 -1.045 0.000 0.890 1205 L HN 0.267 nan 8.230 nan 0.000 0.432 1206 F N -1.352 118.419 119.950 -0.299 0.000 2.664 1206 F HA 0.043 4.570 4.527 -0.001 0.000 0.296 1206 F C 1.804 177.566 175.800 -0.063 0.000 1.125 1206 F CA 0.700 58.532 58.000 -0.280 0.000 1.444 1206 F CB -0.239 38.575 39.000 -0.310 0.000 1.114 1206 F HN 0.312 nan 8.300 nan 0.000 0.576 1207 T N -4.684 109.896 114.554 0.044 0.000 3.087 1207 T HA 0.281 4.631 4.350 -0.001 0.000 0.283 1207 T C 0.776 175.477 174.700 0.002 0.000 0.956 1207 T CA 0.099 62.225 62.100 0.042 0.000 0.894 1207 T CB 0.120 69.008 68.868 0.034 0.000 1.160 1207 T HN 0.103 nan 8.240 nan 0.000 0.532 1208 L N -0.012 121.161 121.223 -0.083 0.000 2.718 1208 L HA 0.523 4.863 4.340 -0.001 0.000 0.247 1208 L C -0.120 176.617 176.870 -0.221 0.000 1.028 1208 L CA 0.316 55.077 54.840 -0.131 0.000 1.031 1208 L CB 0.647 42.603 42.059 -0.172 0.000 1.910 1208 L HN 0.142 nan 8.230 nan 0.000 0.526 1209 E N 1.265 121.291 120.200 -0.291 0.000 2.200 1209 E HA 0.362 4.711 4.350 -0.001 0.000 0.283 1209 E C -0.548 175.953 176.600 -0.165 0.000 1.015 1209 E CA -0.044 56.081 56.400 -0.460 0.000 0.819 1209 E CB 1.197 30.604 29.700 -0.490 0.000 1.081 1209 E HN 0.043 nan 8.360 nan 0.000 0.397 1210 E N 4.030 124.196 120.200 -0.057 0.000 2.274 1210 E HA 0.231 4.580 4.350 -0.001 0.000 0.269 1210 E C -1.367 175.407 176.600 0.291 0.000 0.891 1210 E CA -0.483 55.997 56.400 0.134 0.000 0.784 1210 E CB 1.024 30.774 29.700 0.084 0.000 1.225 1210 E HN 0.401 nan 8.360 nan 0.000 0.412 1211 L N 3.799 125.202 121.223 0.300 0.000 2.312 1211 L HA 0.434 4.773 4.340 -0.001 0.000 0.281 1211 L C -0.262 176.707 176.870 0.165 0.000 1.070 1211 L CA -0.631 54.316 54.840 0.178 0.000 0.805 1211 L CB 0.891 43.014 42.059 0.105 0.000 1.174 1211 L HN 0.535 nan 8.230 nan 0.000 0.434 1212 H N 2.327 121.331 119.070 -0.110 0.000 2.667 1212 H HA 0.505 5.061 4.556 -0.001 0.000 0.353 1212 H C -1.659 173.569 175.328 -0.168 0.000 1.072 1212 H CA -0.522 55.536 56.048 0.017 0.000 1.214 1212 H CB 1.093 30.921 29.762 0.111 0.000 1.600 1212 H HN 0.312 nan 8.280 nan 0.000 0.527 1213 Y N 2.013 122.091 120.300 -0.370 0.000 2.468 1213 Y HA 0.321 4.871 4.550 -0.001 0.000 0.342 1213 Y C 0.656 176.278 175.900 -0.464 0.000 1.021 1213 Y CA -0.665 57.221 58.100 -0.356 0.000 1.079 1213 Y CB 1.803 40.159 38.460 -0.174 0.000 1.226 1213 Y HN 0.774 nan 8.280 nan 0.000 0.460 1214 S N 1.818 117.283 115.700 -0.391 0.000 2.580 1214 S HA 0.112 4.582 4.470 -0.001 0.000 0.266 1214 S C -1.988 172.588 174.600 -0.041 0.000 1.354 1214 S CA -0.848 57.249 58.200 -0.172 0.000 1.008 1214 S CB 0.877 63.949 63.200 -0.212 0.000 0.898 1214 S HN 0.499 nan 8.310 nan 0.000 0.555 1215 P HA 0.017 nan 4.420 nan 0.000 0.222 1215 P C 0.485 177.777 177.300 -0.013 0.000 1.147 1215 P CA 0.954 64.057 63.100 0.006 0.000 0.790 1215 P CB -0.052 31.661 31.700 0.022 0.000 0.780 1216 E N -1.363 118.825 120.200 -0.019 0.000 2.489 1216 E HA 0.265 4.614 4.350 -0.001 0.000 0.193 1216 E C 1.293 177.874 176.600 -0.032 0.000 1.057 1216 E CA 0.583 56.967 56.400 -0.026 0.000 0.866 1216 E CB -0.767 28.916 29.700 -0.027 0.000 0.916 1216 E HN 0.145 nan 8.360 nan 0.000 0.500 1217 G N 0.568 109.350 108.800 -0.030 0.000 2.140 1217 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.211 1217 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.211 1217 G C 0.144 175.073 174.900 0.048 0.000 1.013 1217 G CA 0.294 45.384 45.100 -0.016 0.000 0.705 1217 G HN 0.282 nan 8.290 nan 0.000 0.508 1218 S N -0.522 115.175 115.700 -0.004 0.000 2.451 1218 S HA 0.707 5.177 4.470 -0.001 0.000 0.301 1218 S C 0.193 174.707 174.600 -0.143 0.000 1.116 1218 S CA -0.693 57.484 58.200 -0.037 0.000 1.093 1218 S CB 1.253 64.395 63.200 -0.096 0.000 1.017 1218 S HN 1.259 nan 8.310 nan 0.000 0.482 1219 L N 5.791 126.958 121.223 -0.094 0.000 2.410 1219 L HA 0.362 4.702 4.340 -0.001 0.000 0.273 1219 L C 1.031 177.753 176.870 -0.247 0.000 1.152 1219 L CA 0.567 55.216 54.840 -0.319 0.000 0.855 1219 L CB 0.365 42.281 42.059 -0.238 0.000 1.129 1219 L HN 0.836 nan 8.230 nan 0.000 0.463 1220 H N 1.692 120.654 119.070 -0.179 0.000 2.451 1220 H HA 0.114 4.670 4.556 -0.001 0.000 0.294 1220 H C 0.163 175.487 175.328 -0.007 0.000 1.028 1220 H CA 1.095 57.119 56.048 -0.041 0.000 1.349 1220 H CB 0.082 29.875 29.762 0.052 0.000 1.444 1220 H HN 0.674 nan 8.280 nan 0.000 0.538 1221 T N 0.149 114.755 114.554 0.086 0.000 2.875 1221 T HA 0.439 4.789 4.350 -0.001 0.000 0.307 1221 T C 0.789 175.513 174.700 0.039 0.000 1.013 1221 T CA -0.612 61.550 62.100 0.103 0.000 0.970 1221 T CB 0.787 69.748 68.868 0.155 0.000 0.986 1221 T HN 0.190 nan 8.240 nan 0.000 0.536 1222 R N 1.684 122.231 120.500 0.079 0.000 2.572 1222 R HA 0.439 4.779 4.340 -0.001 0.000 0.370 1222 R C 0.655 177.017 176.300 0.104 0.000 1.005 1222 R CA -0.515 55.619 56.100 0.057 0.000 1.146 1222 R CB 1.313 31.647 30.300 0.056 0.000 1.390 1222 R HN 0.798 nan 8.270 nan 0.000 0.553 1223 G N 0.355 109.261 108.800 0.177 0.000 2.559 1223 G HA2 0.184 4.143 3.960 -0.001 0.000 0.291 1223 G HA3 0.184 4.143 3.960 -0.001 0.000 0.291 1223 G C -2.613 172.481 174.900 0.323 0.000 1.424 1223 G CA -0.785 44.460 45.100 0.242 0.000 0.786 1223 G HN -0.312 nan 8.290 nan 0.000 0.485 1224 P HA -0.065 nan 4.420 nan 0.000 0.228 1224 P C 1.661 179.028 177.300 0.111 0.000 1.151 1224 P CA 1.701 64.934 63.100 0.221 0.000 0.770 1224 P CB 0.212 32.046 31.700 0.224 0.000 0.786 1225 S N -1.122 114.649 115.700 0.118 0.000 2.470 1225 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 1225 S C 1.610 176.248 174.600 0.063 0.000 1.006 1225 S CA 1.249 59.491 58.200 0.070 0.000 0.934 1225 S CB -1.370 61.868 63.200 0.063 0.000 0.778 1225 S HN 0.287 nan 8.310 nan 0.000 0.517 1226 T N -3.109 111.509 114.554 0.107 0.000 3.003 1226 T HA 0.308 4.658 4.350 -0.001 0.000 0.261 1226 T C -0.344 174.452 174.700 0.160 0.000 1.003 1226 T CA -0.400 61.764 62.100 0.106 0.000 0.917 1226 T CB -0.286 68.652 68.868 0.117 0.000 1.084 1226 T HN 0.376 nan 8.240 nan 0.000 0.522 1227 Y N 2.334 122.643 120.300 0.015 0.000 2.327 1227 Y HA 0.539 5.089 4.550 -0.001 0.000 0.325 1227 Y C -1.360 174.478 175.900 -0.103 0.000 0.999 1227 Y CA -1.526 56.567 58.100 -0.012 0.000 1.195 1227 Y CB 1.224 39.717 38.460 0.056 0.000 1.132 1227 Y HN -0.189 nan 8.280 nan 0.000 0.455 1228 K N 8.521 128.619 120.400 -0.503 0.000 2.292 1228 K HA 0.337 4.657 4.320 -0.001 0.000 0.270 1228 K C -0.207 176.054 176.600 -0.565 0.000 1.062 1228 K CA -0.422 55.617 56.287 -0.414 0.000 0.916 1228 K CB 0.740 33.090 32.500 -0.249 0.000 1.166 1228 K HN 0.848 nan 8.250 nan 0.000 0.458 1229 I N -0.464 119.782 120.570 -0.540 0.000 2.886 1229 I HA 0.404 4.574 4.170 -0.001 0.000 0.299 1229 I C -2.069 173.872 176.117 -0.295 0.000 1.044 1229 I CA -2.421 58.615 61.300 -0.440 0.000 1.310 1229 I CB 0.212 37.941 38.000 -0.452 0.000 1.441 1229 I HN 0.197 nan 8.210 nan 0.000 0.578 1230 P HA 0.144 nan 4.420 nan 0.000 0.265 1230 P C -0.730 176.487 177.300 -0.139 0.000 1.193 1230 P CA 0.048 63.046 63.100 -0.170 0.000 0.765 1230 P CB 0.623 32.232 31.700 -0.152 0.000 0.823 1231 A N 2.277 125.041 122.820 -0.092 0.000 2.263 1231 A HA 0.458 4.777 4.320 -0.001 0.000 0.318 1231 A C 0.823 178.409 177.584 0.003 0.000 1.111 1231 A CA -0.520 51.504 52.037 -0.022 0.000 0.901 1231 A CB -0.131 18.883 19.000 0.023 0.000 1.280 1231 A HN 0.440 nan 8.150 nan 0.000 0.503 1232 F N 0.349 120.291 119.950 -0.013 0.000 2.147 1232 F HA -0.156 4.370 4.527 -0.001 0.000 0.301 1232 F C 2.446 178.245 175.800 -0.001 0.000 1.084 1232 F CA 2.524 60.528 58.000 0.007 0.000 1.268 1232 F CB -0.201 38.804 39.000 0.008 0.000 1.009 1232 F HN 0.627 nan 8.300 nan 0.000 0.486 1233 G N -2.118 106.778 108.800 0.160 0.000 2.920 1233 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.208 1233 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.208 1233 G C 1.515 176.413 174.900 -0.004 0.000 1.159 1233 G CA 0.635 45.774 45.100 0.065 0.000 0.784 1233 G HN 0.321 nan 8.290 nan 0.000 0.535 1234 S N 0.313 115.998 115.700 -0.024 0.000 2.446 1234 S HA 0.117 4.586 4.470 -0.001 0.000 0.225 1234 S C 1.220 175.779 174.600 -0.069 0.000 1.016 1234 S CA -0.204 57.951 58.200 -0.075 0.000 0.943 1234 S CB -0.133 63.011 63.200 -0.093 0.000 0.786 1234 S HN 0.604 nan 8.310 nan 0.000 0.508 1235 I N 0.615 121.163 120.570 -0.036 0.000 2.836 1235 I HA 0.282 4.451 4.170 -0.001 0.000 0.285 1235 I C -2.890 173.180 176.117 -0.078 0.000 1.174 1235 I CA -2.232 59.038 61.300 -0.049 0.000 1.405 1235 I CB -0.345 37.691 38.000 0.060 0.000 1.385 1235 I HN -0.190 nan 8.210 nan 0.000 0.594 1236 P HA 0.038 nan 4.420 nan 0.000 0.265 1236 P C 0.459 177.734 177.300 -0.041 0.000 1.193 1236 P CA 0.092 63.106 63.100 -0.145 0.000 0.765 1236 P CB 0.596 32.126 31.700 -0.284 0.000 0.823 1237 T N 0.823 115.367 114.554 -0.018 0.000 2.720 1237 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 1237 T C 0.611 175.337 174.700 0.044 0.000 1.037 1237 T CA 1.391 63.501 62.100 0.016 0.000 1.144 1237 T CB -0.175 68.693 68.868 -0.001 0.000 0.864 1237 T HN 0.452 nan 8.240 nan 0.000 0.444 1238 E N 0.340 120.559 120.200 0.032 0.000 2.129 1238 E HA 0.380 4.730 4.350 -0.001 0.000 0.268 1238 E C -1.694 174.971 176.600 0.108 0.000 0.900 1238 E CA -0.334 56.100 56.400 0.057 0.000 0.755 1238 E CB 1.277 30.989 29.700 0.020 0.000 1.117 1238 E HN 0.383 nan 8.360 nan 0.000 0.410 1239 F N 4.646 124.566 119.950 -0.051 0.000 2.532 1239 F HA 0.391 4.917 4.527 -0.001 0.000 0.365 1239 F C -0.394 175.348 175.800 -0.096 0.000 1.112 1239 F CA -0.838 57.110 58.000 -0.087 0.000 1.082 1239 F CB 0.661 39.626 39.000 -0.060 0.000 1.319 1239 F HN 0.204 nan 8.300 nan 0.000 0.457 1240 R N 4.881 125.485 120.500 0.173 0.000 2.445 1240 R HA 0.676 5.016 4.340 -0.001 0.000 0.308 1240 R C -1.428 174.844 176.300 -0.046 0.000 0.961 1240 R CA -0.975 55.126 56.100 0.003 0.000 0.862 1240 R CB 2.717 33.013 30.300 -0.006 0.000 1.144 1240 R HN 0.295 nan 8.270 nan 0.000 0.447 1241 V N 1.994 121.837 119.914 -0.118 0.000 2.577 1241 V HA 0.375 4.494 4.120 -0.001 0.000 0.303 1241 V C -0.531 175.516 176.094 -0.078 0.000 1.042 1241 V CA -0.688 61.545 62.300 -0.111 0.000 0.872 1241 V CB 2.061 33.777 31.823 -0.177 0.000 0.998 1241 V HN 0.814 nan 8.190 nan 0.000 0.423 1242 S N 5.099 120.769 115.700 -0.049 0.000 2.536 1242 S HA 0.768 5.238 4.470 -0.001 0.000 0.298 1242 S C -0.713 173.876 174.600 -0.018 0.000 1.083 1242 S CA -0.720 57.460 58.200 -0.034 0.000 0.995 1242 S CB 1.867 65.050 63.200 -0.027 0.000 1.058 1242 S HN 0.521 nan 8.310 nan 0.000 0.488 1243 L N 2.393 123.609 121.223 -0.012 0.000 2.295 1243 L HA 0.457 4.796 4.340 -0.001 0.000 0.285 1243 L C -0.393 176.481 176.870 0.007 0.000 1.035 1243 L CA -0.983 53.858 54.840 0.002 0.000 0.806 1243 L CB 1.020 43.080 42.059 0.001 0.000 1.214 1243 L HN 0.494 nan 8.230 nan 0.000 0.426 1244 L N 4.341 125.576 121.223 0.019 0.000 2.540 1244 L HA 0.067 4.406 4.340 -0.001 0.000 0.276 1244 L C 0.406 177.285 176.870 0.014 0.000 1.212 1244 L CA 0.785 55.637 54.840 0.019 0.000 0.893 1244 L CB 0.099 42.178 42.059 0.033 0.000 1.138 1244 L HN 0.513 nan 8.230 nan 0.000 0.491 1245 R N 3.592 124.097 120.500 0.009 0.000 2.532 1245 R HA 0.238 4.578 4.340 -0.001 0.000 0.272 1245 R C -0.306 175.998 176.300 0.008 0.000 1.032 1245 R CA -0.584 55.519 56.100 0.005 0.000 1.089 1245 R CB 0.592 30.893 30.300 0.001 0.000 1.098 1245 R HN 0.753 nan 8.270 nan 0.000 0.526 1246 D N 0.528 120.931 120.400 0.005 0.000 2.697 1246 D HA -0.148 4.492 4.640 -0.001 0.000 0.235 1246 D C -0.399 175.906 176.300 0.009 0.000 1.167 1246 D CA 0.948 54.951 54.000 0.005 0.000 0.656 1246 D CB -1.294 39.509 40.800 0.005 0.000 1.025 1246 D HN 0.653 nan 8.370 nan 0.000 0.419 1247 C N -1.445 117.861 119.300 0.010 0.000 3.401 1247 C HA 0.402 4.861 4.460 -0.001 0.000 0.204 1247 C C -2.182 172.811 174.990 0.005 0.000 1.522 1247 C CA -1.952 57.075 59.018 0.015 0.000 1.409 1247 C CB 0.311 28.069 27.740 0.029 0.000 1.967 1247 C HN 0.071 nan 8.230 nan 0.000 0.496 1248 P HA 0.076 nan 4.420 nan 0.000 0.265 1248 P C -0.462 176.812 177.300 -0.044 0.000 1.193 1248 P CA 0.729 63.816 63.100 -0.022 0.000 0.765 1248 P CB 0.696 32.386 31.700 -0.016 0.000 0.823 1249 N N 2.557 121.204 118.700 -0.089 0.000 2.589 1249 N HA 0.049 4.788 4.740 -0.001 0.000 0.232 1249 N C 1.043 176.447 175.510 -0.177 0.000 1.015 1249 N CA -0.293 52.656 53.050 -0.168 0.000 0.931 1249 N CB 0.263 38.561 38.487 -0.315 0.000 1.150 1249 N HN 0.243 nan 8.380 nan 0.000 0.512 1250 K N 2.120 122.445 120.400 -0.126 0.000 2.293 1250 K HA -0.136 4.183 4.320 -0.001 0.000 0.204 1250 K C 0.584 177.107 176.600 -0.127 0.000 1.045 1250 K CA 1.149 57.375 56.287 -0.102 0.000 0.933 1250 K CB 0.241 32.702 32.500 -0.065 0.000 0.736 1250 K HN 0.462 nan 8.250 nan 0.000 0.463 1251 K N -0.647 119.624 120.400 -0.215 0.000 2.400 1251 K HA 0.080 4.399 4.320 -0.001 0.000 0.194 1251 K C 0.372 176.942 176.600 -0.050 0.000 1.033 1251 K CA 0.294 56.468 56.287 -0.189 0.000 1.021 1251 K CB 0.808 33.054 32.500 -0.424 0.000 0.808 1251 K HN 0.106 nan 8.250 nan 0.000 0.505 1252 A N 0.958 123.667 122.820 -0.184 0.000 2.532 1252 A HA 0.447 4.767 4.320 -0.001 0.000 0.290 1252 A C -0.806 176.659 177.584 -0.199 0.000 1.143 1252 A CA -0.850 51.104 52.037 -0.138 0.000 0.728 1252 A CB 0.869 19.796 19.000 -0.123 0.000 1.317 1252 A HN 0.117 nan 8.150 nan 0.000 0.414 1253 I N 1.048 121.464 120.570 -0.257 0.000 2.943 1253 I HA 0.033 4.203 4.170 -0.001 0.000 0.296 1253 I C -0.015 175.973 176.117 -0.216 0.000 1.220 1253 I CA 1.517 62.586 61.300 -0.385 0.000 1.409 1253 I CB -1.278 36.479 38.000 -0.404 0.000 1.374 1253 I HN 0.605 nan 8.210 nan 0.000 0.545 1254 Y N 5.346 125.536 120.300 -0.182 0.000 3.825 1254 Y HA -0.287 4.263 4.550 -0.001 0.000 0.221 1254 Y C 1.399 177.236 175.900 -0.105 0.000 1.195 1254 Y CA 0.429 58.452 58.100 -0.130 0.000 1.699 1254 Y CB -1.793 36.608 38.460 -0.100 0.000 1.531 1254 Y HN 1.011 nan 8.280 nan 0.000 0.640 1255 A N -1.108 121.704 122.820 -0.013 0.000 2.861 1255 A HA -0.276 4.044 4.320 -0.001 0.000 0.261 1255 A C 1.000 178.546 177.584 -0.063 0.000 1.351 1255 A CA 1.197 53.202 52.037 -0.053 0.000 0.904 1255 A CB -1.961 17.025 19.000 -0.024 0.000 1.076 1255 A HN 1.364 nan 8.150 nan 0.000 0.729 1256 S N -1.003 114.667 115.700 -0.050 0.000 2.655 1256 S HA 0.752 5.222 4.470 -0.001 0.000 0.265 1256 S C -0.091 174.462 174.600 -0.077 0.000 1.240 1256 S CA 0.003 58.182 58.200 -0.034 0.000 0.986 1256 S CB 1.420 64.623 63.200 0.006 0.000 0.985 1256 S HN 0.561 nan 8.310 nan 0.000 0.562 1257 K N -0.265 120.133 120.400 -0.003 0.000 2.469 1257 K HA 0.618 4.938 4.320 -0.001 0.000 0.254 1257 K C -0.730 175.960 176.600 0.151 0.000 0.939 1257 K CA -0.839 55.504 56.287 0.093 0.000 0.812 1257 K CB 2.190 34.765 32.500 0.126 0.000 1.301 1257 K HN 0.866 nan 8.250 nan 0.000 0.433 1258 A N 1.231 124.195 122.820 0.241 0.000 2.540 1258 A HA 0.087 4.406 4.320 -0.001 0.000 0.239 1258 A C 0.622 178.247 177.584 0.068 0.000 1.061 1258 A CA 0.134 52.237 52.037 0.111 0.000 0.758 1258 A CB 0.388 19.421 19.000 0.055 0.000 0.991 1258 A HN 0.537 nan 8.150 nan 0.000 0.502 1259 V N 2.670 122.602 119.914 0.030 0.000 3.497 1259 V HA 0.221 4.341 4.120 -0.001 0.000 0.272 1259 V C 1.755 177.842 176.094 -0.012 0.000 1.474 1259 V CA 1.472 63.782 62.300 0.016 0.000 1.025 1259 V CB -0.144 31.697 31.823 0.030 0.000 0.820 1259 V HN 1.093 nan 8.190 nan 0.000 0.437 1260 G N 0.200 108.989 108.800 -0.017 0.000 2.459 1260 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 1260 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 1260 G C 1.247 176.123 174.900 -0.040 0.000 1.183 1260 G CA 1.425 46.524 45.100 -0.003 0.000 0.776 1260 G HN 0.597 nan 8.290 nan 0.000 0.552 1261 E N 0.195 120.292 120.200 -0.172 0.000 2.251 1261 E HA 0.017 4.367 4.350 -0.001 0.000 0.194 1261 E C -0.314 175.916 176.600 -0.617 0.000 0.964 1261 E CA -0.046 56.138 56.400 -0.361 0.000 0.868 1261 E CB 0.101 29.491 29.700 -0.517 0.000 0.828 1261 E HN 0.306 nan 8.360 nan 0.000 0.481 1262 P HA -0.110 nan 4.420 nan 0.000 0.218 1262 P C -1.751 175.482 177.300 -0.112 0.000 1.148 1262 P CA 1.478 64.302 63.100 -0.461 0.000 0.822 1262 P CB -0.720 30.893 31.700 -0.145 0.000 0.784 1263 P HA -0.031 nan 4.420 nan 0.000 0.229 1263 P C 1.562 178.948 177.300 0.144 0.000 1.160 1263 P CA 0.546 63.703 63.100 0.095 0.000 0.777 1263 P CB -0.369 31.399 31.700 0.113 0.000 0.814 1264 L N -1.215 120.051 121.223 0.072 0.000 2.012 1264 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 1264 L C 2.213 179.185 176.870 0.169 0.000 1.073 1264 L CA 1.675 56.565 54.840 0.083 0.000 0.748 1264 L CB -0.787 41.278 42.059 0.011 0.000 0.891 1264 L HN -0.112 nan 8.230 nan 0.000 0.431 1265 F N 0.368 120.390 119.950 0.120 0.000 2.192 1265 F HA -0.250 4.277 4.527 -0.001 0.000 0.301 1265 F C 1.974 177.919 175.800 0.242 0.000 1.079 1265 F CA 1.520 59.665 58.000 0.242 0.000 1.303 1265 F CB -0.372 38.748 39.000 0.199 0.000 1.024 1265 F HN 0.036 nan 8.300 nan 0.000 0.494 1266 L N -0.135 121.144 121.223 0.093 0.000 2.263 1266 L HA -0.204 4.136 4.340 -0.001 0.000 0.216 1266 L C 2.738 179.676 176.870 0.114 0.000 1.111 1266 L CA 1.019 55.910 54.840 0.085 0.000 0.773 1266 L CB -1.663 40.555 42.059 0.265 0.000 0.906 1266 L HN 0.355 nan 8.230 nan 0.000 0.439 1267 G N 0.112 108.902 108.800 -0.016 0.000 2.507 1267 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.221 1267 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.221 1267 G C 1.726 176.538 174.900 -0.146 0.000 1.119 1267 G CA 0.879 45.781 45.100 -0.330 0.000 0.751 1267 G HN 0.514 nan 8.290 nan 0.000 0.574 1268 A N 1.180 123.769 122.820 -0.385 0.000 2.070 1268 A HA 0.010 4.330 4.320 -0.001 0.000 0.220 1268 A C 2.684 180.201 177.584 -0.111 0.000 1.159 1268 A CA 2.215 53.850 52.037 -0.670 0.000 0.656 1268 A CB -0.607 17.697 19.000 -1.160 0.000 0.800 1268 A HN 0.801 nan 8.150 nan 0.000 0.453 1269 S N -0.277 115.402 115.700 -0.035 0.000 2.400 1269 S HA -0.145 4.324 4.470 -0.001 0.000 0.232 1269 S C 1.671 176.348 174.600 0.128 0.000 1.025 1269 S CA 1.522 59.791 58.200 0.116 0.000 0.993 1269 S CB -0.906 62.366 63.200 0.120 0.000 0.808 1269 S HN 0.277 nan 8.310 nan 0.000 0.478 1270 V N 0.861 120.830 119.914 0.092 0.000 2.515 1270 V HA -0.043 4.077 4.120 -0.001 0.000 0.250 1270 V C 2.038 178.122 176.094 -0.015 0.000 1.058 1270 V CA 1.866 64.195 62.300 0.048 0.000 1.064 1270 V CB -1.000 30.840 31.823 0.029 0.000 0.675 1270 V HN 0.599 nan 8.190 nan 0.000 0.461 1271 F N 0.345 120.178 119.950 -0.195 0.000 2.128 1271 F HA -0.130 4.396 4.527 -0.001 0.000 0.295 1271 F C 1.998 177.571 175.800 -0.378 0.000 1.100 1271 F CA 1.675 59.480 58.000 -0.325 0.000 1.260 1271 F CB -0.239 38.491 39.000 -0.449 0.000 1.009 1271 F HN 0.139 nan 8.300 nan 0.000 0.476 1272 F N 0.297 120.338 119.950 0.151 0.000 2.407 1272 F HA -0.006 4.520 4.527 -0.001 0.000 0.299 1272 F C 2.450 178.227 175.800 -0.040 0.000 1.097 1272 F CA 0.731 58.756 58.000 0.042 0.000 1.422 1272 F CB -0.946 38.083 39.000 0.048 0.000 1.067 1272 F HN 0.078 nan 8.300 nan 0.000 0.539 1273 A N 0.554 123.422 122.820 0.080 0.000 1.898 1273 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 1273 A C 2.205 179.752 177.584 -0.061 0.000 1.181 1273 A CA 1.295 53.345 52.037 0.021 0.000 0.620 1273 A CB -0.916 18.094 19.000 0.017 0.000 0.819 1273 A HN 0.364 nan 8.150 nan 0.000 0.442 1274 I N -0.572 119.894 120.570 -0.175 0.000 2.163 1274 I HA -0.284 3.886 4.170 -0.001 0.000 0.243 1274 I C 2.585 178.583 176.117 -0.198 0.000 1.085 1274 I CA 1.851 62.998 61.300 -0.253 0.000 1.347 1274 I CB -0.289 37.443 38.000 -0.447 0.000 1.044 1274 I HN 0.354 nan 8.210 nan 0.000 0.408 1275 K N 0.843 121.087 120.400 -0.259 0.000 2.026 1275 K HA -0.278 4.042 4.320 -0.001 0.000 0.208 1275 K C 1.768 178.420 176.600 0.088 0.000 1.048 1275 K CA 2.238 58.471 56.287 -0.089 0.000 0.929 1275 K CB -0.167 32.248 32.500 -0.142 0.000 0.713 1275 K HN 0.203 nan 8.250 nan 0.000 0.439 1276 D N -0.377 120.059 120.400 0.061 0.000 2.133 1276 D HA -0.174 4.465 4.640 -0.001 0.000 0.195 1276 D C 1.607 177.946 176.300 0.064 0.000 0.997 1276 D CA 1.583 55.630 54.000 0.078 0.000 0.840 1276 D CB 0.024 40.863 40.800 0.064 0.000 0.947 1276 D HN 0.343 nan 8.370 nan 0.000 0.452 1277 A N -0.177 122.660 122.820 0.029 0.000 1.929 1277 A HA -0.039 4.281 4.320 -0.001 0.000 0.216 1277 A C 2.321 179.929 177.584 0.041 0.000 1.176 1277 A CA 0.784 52.837 52.037 0.027 0.000 0.628 1277 A CB -0.624 18.377 19.000 0.001 0.000 0.816 1277 A HN 0.348 nan 8.150 nan 0.000 0.444 1278 I N -0.992 119.605 120.570 0.045 0.000 2.286 1278 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 1278 I C 2.689 178.816 176.117 0.016 0.000 1.115 1278 I CA 1.431 62.746 61.300 0.026 0.000 1.392 1278 I CB -0.318 37.714 38.000 0.053 0.000 1.065 1278 I HN 0.345 nan 8.210 nan 0.000 0.418 1279 R N 1.025 121.612 120.500 0.146 0.000 2.105 1279 R HA -0.192 4.147 4.340 -0.001 0.000 0.239 1279 R C 2.359 178.698 176.300 0.065 0.000 1.135 1279 R CA 1.659 57.861 56.100 0.170 0.000 0.967 1279 R CB -0.188 30.248 30.300 0.227 0.000 0.861 1279 R HN 0.381 nan 8.270 nan 0.000 0.442 1280 A N 0.392 123.241 122.820 0.049 0.000 1.897 1280 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 1280 A C 2.299 179.874 177.584 -0.014 0.000 1.181 1280 A CA 1.392 53.440 52.037 0.018 0.000 0.620 1280 A CB -0.631 18.388 19.000 0.032 0.000 0.821 1280 A HN 0.488 nan 8.150 nan 0.000 0.443 1281 A N 0.003 122.826 122.820 0.005 0.000 1.908 1281 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 1281 A C 2.245 179.832 177.584 0.004 0.000 1.181 1281 A CA 1.668 53.718 52.037 0.020 0.000 0.627 1281 A CB -0.462 18.578 19.000 0.067 0.000 0.818 1281 A HN 0.546 nan 8.150 nan 0.000 0.445 1282 R N -0.622 119.853 120.500 -0.041 0.000 2.075 1282 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 1282 R C 2.364 178.636 176.300 -0.046 0.000 1.126 1282 R CA 1.132 57.195 56.100 -0.061 0.000 0.963 1282 R CB -0.457 29.745 30.300 -0.162 0.000 0.858 1282 R HN 0.493 nan 8.270 nan 0.000 0.435 1283 A N 0.650 123.444 122.820 -0.043 0.000 2.125 1283 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 1283 A C 2.006 179.526 177.584 -0.106 0.000 1.156 1283 A CA 1.441 53.449 52.037 -0.047 0.000 0.671 1283 A CB -0.264 18.721 19.000 -0.025 0.000 0.794 1283 A HN 0.355 nan 8.150 nan 0.000 0.459 1284 Q N -1.776 117.915 119.800 -0.181 0.000 2.226 1284 Q HA -0.033 4.307 4.340 -0.001 0.000 0.199 1284 Q C 1.625 177.354 176.000 -0.451 0.000 0.945 1284 Q CA 1.174 56.751 55.803 -0.376 0.000 0.861 1284 Q CB 0.023 28.426 28.738 -0.557 0.000 0.953 1284 Q HN 0.703 nan 8.270 nan 0.000 0.490 1285 H N -0.941 118.070 119.070 -0.099 0.000 2.885 1285 H HA 0.239 4.794 4.556 -0.001 0.000 0.260 1285 H C 0.454 175.758 175.328 -0.040 0.000 0.985 1285 H CA 1.039 57.043 56.048 -0.075 0.000 1.210 1285 H CB 0.869 30.600 29.762 -0.051 0.000 1.466 1285 H HN 0.373 nan 8.280 nan 0.000 0.493 1286 T N 0.214 114.798 114.554 0.051 0.000 2.804 1286 T HA 0.154 4.503 4.350 -0.001 0.000 0.272 1286 T C 0.087 174.791 174.700 0.006 0.000 0.986 1286 T CA -1.041 61.075 62.100 0.026 0.000 0.999 1286 T CB 1.495 70.368 68.868 0.008 0.000 1.307 1286 T HN 0.228 nan 8.240 nan 0.000 0.586 1287 N N 2.159 120.865 118.700 0.010 0.000 2.301 1287 N HA -0.058 4.682 4.740 -0.001 0.000 0.267 1287 N C 0.077 175.595 175.510 0.014 0.000 1.304 1287 N CA 0.010 53.067 53.050 0.013 0.000 0.851 1287 N CB -0.202 38.297 38.487 0.021 0.000 1.070 1287 N HN 0.597 nan 8.380 nan 0.000 0.483 1288 N N 1.512 120.218 118.700 0.010 0.000 2.398 1288 N HA -0.041 4.699 4.740 -0.001 0.000 0.188 1288 N C -0.437 175.086 175.510 0.021 0.000 1.122 1288 N CA -0.042 53.011 53.050 0.006 0.000 0.866 1288 N CB -0.102 38.380 38.487 -0.008 0.000 0.970 1288 N HN 0.596 nan 8.380 nan 0.000 0.462 1289 N N 2.005 120.725 118.700 0.034 0.000 2.256 1289 N HA -0.083 4.656 4.740 -0.001 0.000 0.277 1289 N C 1.426 176.970 175.510 0.057 0.000 1.362 1289 N CA 0.395 53.472 53.050 0.046 0.000 0.861 1289 N CB 0.610 39.131 38.487 0.057 0.000 1.136 1289 N HN 0.297 nan 8.380 nan 0.000 0.492 1290 T N 0.882 115.466 114.554 0.049 0.000 2.699 1290 T HA -0.214 4.136 4.350 -0.001 0.000 0.268 1290 T C 1.013 175.758 174.700 0.075 0.000 1.036 1290 T CA 1.062 63.196 62.100 0.056 0.000 1.147 1290 T CB -0.061 68.834 68.868 0.045 0.000 0.862 1290 T HN 0.479 nan 8.240 nan 0.000 0.446 1291 K N 2.137 122.582 120.400 0.074 0.000 2.911 1291 K HA 0.213 4.533 4.320 -0.001 0.000 0.239 1291 K C 0.366 177.026 176.600 0.101 0.000 1.090 1291 K CA -0.106 56.232 56.287 0.085 0.000 1.225 1291 K CB 0.172 32.721 32.500 0.081 0.000 1.087 1291 K HN 0.493 nan 8.250 nan 0.000 0.464 1292 E N 2.106 122.376 120.200 0.117 0.000 2.200 1292 E HA 0.198 4.548 4.350 -0.001 0.000 0.283 1292 E C -0.920 175.807 176.600 0.211 0.000 1.015 1292 E CA -0.386 56.103 56.400 0.148 0.000 0.819 1292 E CB 0.764 30.547 29.700 0.138 0.000 1.081 1292 E HN 0.212 nan 8.360 nan 0.000 0.397 1293 L N 5.358 126.698 121.223 0.195 0.000 2.331 1293 L HA 0.577 4.916 4.340 -0.001 0.000 0.275 1293 L C -0.210 176.822 176.870 0.270 0.000 1.022 1293 L CA -1.047 53.891 54.840 0.164 0.000 0.812 1293 L CB 0.794 42.918 42.059 0.109 0.000 1.257 1293 L HN 0.469 nan 8.230 nan 0.000 0.435 1294 F N -0.690 119.325 119.950 0.107 0.000 2.631 1294 F HA 0.622 5.149 4.527 -0.001 0.000 0.308 1294 F C -0.636 175.244 175.800 0.135 0.000 1.097 1294 F CA -1.245 56.818 58.000 0.105 0.000 0.952 1294 F CB 1.511 40.562 39.000 0.085 0.000 1.307 1294 F HN 0.310 nan 8.300 nan 0.000 0.450 1295 R N 2.439 123.095 120.500 0.260 0.000 2.234 1295 R HA 0.648 4.987 4.340 -0.001 0.000 0.324 1295 R C -1.873 174.590 176.300 0.272 0.000 1.054 1295 R CA -0.688 55.532 56.100 0.201 0.000 0.912 1295 R CB 1.084 31.509 30.300 0.209 0.000 1.030 1295 R HN 0.852 nan 8.270 nan 0.000 0.455 1296 L N 5.180 126.538 121.223 0.225 0.000 2.377 1296 L HA 0.370 4.710 4.340 -0.001 0.000 0.270 1296 L C -1.140 175.994 176.870 0.441 0.000 0.991 1296 L CA -0.458 54.571 54.840 0.316 0.000 0.851 1296 L CB 1.390 43.595 42.059 0.243 0.000 1.218 1296 L HN 0.655 nan 8.230 nan 0.000 0.420 1297 D N 1.465 122.105 120.400 0.398 0.000 2.377 1297 D HA 0.210 4.849 4.640 -0.001 0.000 0.245 1297 D C -0.324 176.238 176.300 0.436 0.000 1.196 1297 D CA 0.044 54.292 54.000 0.413 0.000 0.962 1297 D CB 1.553 42.587 40.800 0.391 0.000 1.127 1297 D HN 0.442 nan 8.370 nan 0.000 0.471 1298 S N 0.224 116.069 115.700 0.240 0.000 2.525 1298 S HA 0.498 4.968 4.470 -0.001 0.000 0.290 1298 S C -2.627 172.011 174.600 0.064 0.000 1.152 1298 S CA -1.448 56.780 58.200 0.046 0.000 1.072 1298 S CB 1.197 64.091 63.200 -0.511 0.000 1.027 1298 S HN 0.159 nan 8.310 nan 0.000 0.500 1299 P HA 0.268 nan 4.420 nan 0.000 0.282 1299 P C -1.208 176.217 177.300 0.208 0.000 1.249 1299 P CA -0.554 62.609 63.100 0.106 0.000 0.806 1299 P CB 0.907 32.616 31.700 0.014 0.000 0.984 1300 A N 2.792 125.782 122.820 0.283 0.000 2.906 1300 A HA 0.335 4.654 4.320 -0.001 0.000 0.289 1300 A C 1.027 178.632 177.584 0.035 0.000 1.675 1300 A CA -0.094 52.016 52.037 0.122 0.000 1.372 1300 A CB -1.455 17.476 19.000 -0.116 0.000 1.091 1300 A HN 0.614 nan 8.150 nan 0.000 0.579 1301 T N -0.464 114.122 114.554 0.053 0.000 2.754 1301 T HA 0.364 4.714 4.350 -0.001 0.000 0.286 1301 T C -1.714 173.002 174.700 0.027 0.000 0.997 1301 T CA -1.388 60.731 62.100 0.032 0.000 0.982 1301 T CB 0.473 69.357 68.868 0.027 0.000 1.027 1301 T HN 0.174 nan 8.240 nan 0.000 0.529 1302 P HA -0.095 nan 4.420 nan 0.000 0.218 1302 P C 1.510 178.820 177.300 0.016 0.000 1.148 1302 P CA 1.038 64.153 63.100 0.026 0.000 0.822 1302 P CB 0.058 31.766 31.700 0.014 0.000 0.784 1303 E N 0.408 120.615 120.200 0.013 0.000 2.038 1303 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 1303 E C 1.742 178.360 176.600 0.031 0.000 1.000 1303 E CA 1.433 57.842 56.400 0.015 0.000 0.803 1303 E CB -0.163 29.544 29.700 0.011 0.000 0.750 1303 E HN 0.158 nan 8.360 nan 0.000 0.448 1304 K N 0.112 120.540 120.400 0.047 0.000 2.062 1304 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 1304 K C 2.323 178.953 176.600 0.050 0.000 1.051 1304 K CA 1.116 57.444 56.287 0.069 0.000 0.941 1304 K CB -0.095 32.467 32.500 0.104 0.000 0.719 1304 K HN 0.263 nan 8.250 nan 0.000 0.440 1305 I N 0.784 121.367 120.570 0.023 0.000 2.179 1305 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 1305 I C 2.640 178.764 176.117 0.011 0.000 1.088 1305 I CA 1.105 62.404 61.300 -0.001 0.000 1.357 1305 I CB -0.231 37.754 38.000 -0.024 0.000 1.051 1305 I HN 0.089 nan 8.210 nan 0.000 0.409 1306 R N 1.804 122.314 120.500 0.018 0.000 2.070 1306 R HA -0.156 4.184 4.340 -0.001 0.000 0.233 1306 R C 1.955 178.269 176.300 0.023 0.000 1.137 1306 R CA 1.895 58.008 56.100 0.021 0.000 0.945 1306 R CB -0.612 29.695 30.300 0.011 0.000 0.845 1306 R HN 0.285 nan 8.270 nan 0.000 0.430 1307 N N 0.347 119.062 118.700 0.025 0.000 2.205 1307 N HA -0.127 4.613 4.740 -0.001 0.000 0.186 1307 N C 1.342 176.860 175.510 0.012 0.000 1.015 1307 N CA 1.595 54.662 53.050 0.028 0.000 0.862 1307 N CB -0.417 38.093 38.487 0.039 0.000 0.986 1307 N HN 0.415 nan 8.380 nan 0.000 0.429 1308 A N -0.251 122.568 122.820 -0.002 0.000 2.067 1308 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 1308 A C 1.137 178.635 177.584 -0.144 0.000 1.156 1308 A CA 0.276 52.265 52.037 -0.079 0.000 0.683 1308 A CB -0.276 18.693 19.000 -0.052 0.000 0.808 1308 A HN 0.350 nan 8.150 nan 0.000 0.455 1309 C N 1.871 121.140 119.300 -0.052 0.000 3.025 1309 C HA 0.373 4.832 4.460 -0.001 0.000 0.547 1309 C C 0.705 175.713 174.990 0.030 0.000 1.058 1309 C CA -1.104 57.909 59.018 -0.009 0.000 1.164 1309 C CB -2.345 25.430 27.740 0.057 0.000 1.405 1309 C HN 0.315 nan 8.230 nan 0.000 0.610 1310 V N 4.274 124.183 119.914 -0.008 0.000 2.584 1310 V HA 0.139 4.259 4.120 -0.001 0.000 0.303 1310 V C 0.349 176.480 176.094 0.063 0.000 1.035 1310 V CA 1.129 63.442 62.300 0.021 0.000 1.172 1310 V CB -0.003 31.815 31.823 -0.007 0.000 0.896 1310 V HN 0.874 nan 8.190 nan 0.000 0.486 1311 D N 3.099 123.541 120.400 0.070 0.000 2.921 1311 D HA 0.225 4.864 4.640 -0.001 0.000 0.329 1311 D C 0.583 176.880 176.300 -0.006 0.000 1.293 1311 D CA -0.518 53.518 54.000 0.059 0.000 0.964 1311 D CB 0.678 41.526 40.800 0.081 0.000 1.435 1311 D HN 0.343 nan 8.370 nan 0.000 0.548 1312 K N -0.533 119.793 120.400 -0.122 0.000 2.442 1312 K HA 0.022 4.342 4.320 -0.001 0.000 0.198 1312 K C 0.797 177.115 176.600 -0.470 0.000 1.042 1312 K CA 1.010 57.107 56.287 -0.317 0.000 0.958 1312 K CB -0.444 31.805 32.500 -0.417 0.000 0.766 1312 K HN 0.289 nan 8.250 nan 0.000 0.474 1313 F N 2.013 121.952 119.950 -0.020 0.000 2.343 1313 F HA -0.024 4.503 4.527 -0.001 0.000 0.286 1313 F C 2.884 178.667 175.800 -0.027 0.000 1.057 1313 F CA 0.992 58.966 58.000 -0.043 0.000 1.365 1313 F CB -0.692 38.254 39.000 -0.089 0.000 1.114 1313 F HN 0.104 nan 8.300 nan 0.000 0.545 1314 T N -1.680 112.966 114.554 0.153 0.000 2.759 1314 T HA -0.134 4.216 4.350 -0.001 0.000 0.269 1314 T C 1.239 175.966 174.700 0.045 0.000 1.042 1314 T CA 1.424 63.574 62.100 0.083 0.000 1.140 1314 T CB -1.335 67.572 68.868 0.065 0.000 0.864 1314 T HN 0.300 nan 8.240 nan 0.000 0.455 1315 T N 0.000 114.567 114.554 0.022 0.000 3.816 1315 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 1315 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 1315 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658