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 3nvz_1_C DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTTLCVTG DATA SEQUENCE APGNC 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 0.000 176.255 176.300 -0.074 0.000 2.045 571 D CA 0.000 53.953 54.000 -0.078 0.000 0.868 571 D CB 0.000 40.747 40.800 -0.089 0.000 0.688 572 T N -0.500 114.011 114.554 -0.071 0.000 3.086 572 T HA 0.214 4.554 4.350 -0.017 0.000 0.250 572 T C 0.832 175.493 174.700 -0.065 0.000 1.074 572 T CA -0.038 62.028 62.100 -0.056 0.000 0.988 572 T CB 0.017 68.861 68.868 -0.039 0.000 0.988 572 T HN 0.124 nan 8.240 nan 0.000 0.530 573 V N 2.316 122.168 119.914 -0.103 0.000 2.493 573 V HA 0.445 4.555 4.120 -0.017 0.000 0.292 573 V C 1.706 177.747 176.094 -0.089 0.000 1.016 573 V CA 1.275 63.506 62.300 -0.115 0.000 1.097 573 V CB -0.219 31.460 31.823 -0.239 0.000 0.947 573 V HN 0.862 nan 8.190 nan 0.000 0.479 574 G N 4.680 113.449 108.800 -0.053 0.000 2.175 574 G HA2 -0.218 3.732 3.960 -0.017 0.000 0.244 574 G HA3 -0.218 3.732 3.960 -0.017 0.000 0.244 574 G C 0.293 175.175 174.900 -0.030 0.000 0.982 574 G CA -0.026 45.051 45.100 -0.038 0.000 0.641 574 G HN 0.614 nan 8.290 nan 0.000 0.527 575 R N 0.899 121.381 120.500 -0.030 0.000 2.457 575 R HA 0.452 4.782 4.340 -0.017 0.000 0.284 575 R C -2.310 173.982 176.300 -0.014 0.000 1.024 575 R CA -1.612 54.474 56.100 -0.022 0.000 1.025 575 R CB 1.271 31.557 30.300 -0.024 0.000 1.063 575 R HN 0.047 nan 8.270 nan 0.000 0.493 576 P HA 0.029 nan 4.420 nan 0.000 0.220 576 P C -0.618 176.685 177.300 0.004 0.000 1.806 576 P CA -0.273 62.826 63.100 -0.002 0.000 0.976 576 P CB -0.091 31.606 31.700 -0.004 0.000 1.952 577 L N 3.126 124.351 121.223 0.004 0.000 2.462 577 L HA 0.332 4.662 4.340 -0.017 0.000 0.272 577 L C -2.296 174.590 176.870 0.026 0.000 1.166 577 L CA -1.781 53.065 54.840 0.010 0.000 0.880 577 L CB -0.469 41.591 42.059 0.002 0.000 1.142 577 L HN 0.007 nan 8.230 nan 0.000 0.473 578 P HA -0.029 nan 4.420 nan 0.000 0.267 578 P C -0.776 176.585 177.300 0.101 0.000 1.200 578 P CA -0.012 63.131 63.100 0.071 0.000 0.772 578 P CB 0.190 31.930 31.700 0.067 0.000 0.855 579 H N 2.861 121.946 119.070 0.025 0.000 3.195 579 H HA -0.073 4.473 4.556 -0.017 0.000 0.302 579 H C 1.137 176.485 175.328 0.033 0.000 0.950 579 H CA 0.704 56.769 56.048 0.028 0.000 1.398 579 H CB 0.351 30.131 29.762 0.030 0.000 1.377 579 H HN 0.380 nan 8.280 nan 0.000 0.572 580 L N 4.291 125.551 121.223 0.062 0.000 2.187 580 L HA -0.201 4.129 4.340 -0.017 0.000 0.213 580 L C 2.272 179.262 176.870 0.200 0.000 1.100 580 L CA 1.525 56.427 54.840 0.104 0.000 0.765 580 L CB -0.298 41.776 42.059 0.025 0.000 0.904 580 L HN 0.644 nan 8.230 nan 0.000 0.437 581 A N -0.955 122.100 122.820 0.391 0.000 2.345 581 A HA 0.409 4.719 4.320 -0.017 0.000 0.225 581 A C 2.257 179.913 177.584 0.121 0.000 1.243 581 A CA 0.626 52.796 52.037 0.222 0.000 0.875 581 A CB -0.194 18.922 19.000 0.193 0.000 0.929 581 A HN 0.282 nan 8.150 nan 0.000 0.502 582 A N 0.417 123.317 122.820 0.133 0.000 1.908 582 A HA 0.078 4.388 4.320 -0.017 0.000 0.218 582 A C 2.426 180.037 177.584 0.044 0.000 1.181 582 A CA 2.020 54.081 52.037 0.040 0.000 0.627 582 A CB -0.853 18.189 19.000 0.069 0.000 0.818 582 A HN 1.049 nan 8.150 nan 0.000 0.445 583 A N -0.724 122.132 122.820 0.059 0.000 1.898 583 A HA -0.088 4.222 4.320 -0.017 0.000 0.216 583 A C 2.251 179.862 177.584 0.045 0.000 1.181 583 A CA 1.766 53.832 52.037 0.048 0.000 0.620 583 A CB -0.517 18.512 19.000 0.047 0.000 0.819 583 A HN 0.538 nan 8.150 nan 0.000 0.442 584 M N -1.088 118.541 119.600 0.050 0.000 2.229 584 M HA -0.177 4.293 4.480 -0.017 0.000 0.264 584 M C 2.345 178.675 176.300 0.050 0.000 1.063 584 M CA 1.336 56.662 55.300 0.044 0.000 1.114 584 M CB -0.341 32.283 32.600 0.041 0.000 1.387 584 M HN 0.490 nan 8.290 nan 0.000 0.420 585 Q N 0.160 119.991 119.800 0.051 0.000 2.079 585 Q HA -0.091 4.239 4.340 -0.017 0.000 0.200 585 Q C 2.233 178.278 176.000 0.074 0.000 0.974 585 Q CA 1.616 57.466 55.803 0.078 0.000 0.840 585 Q CB -0.224 28.544 28.738 0.049 0.000 0.898 585 Q HN 0.579 nan 8.270 nan 0.000 0.430 586 A N 0.719 123.570 122.820 0.053 0.000 2.015 586 A HA -0.132 4.178 4.320 -0.017 0.000 0.219 586 A C 2.073 179.685 177.584 0.046 0.000 1.163 586 A CA 1.590 53.656 52.037 0.048 0.000 0.646 586 A CB -0.274 18.751 19.000 0.041 0.000 0.806 586 A HN 0.403 nan 8.150 nan 0.000 0.448 587 S N -2.420 113.308 115.700 0.046 0.000 2.556 587 S HA 0.398 4.858 4.470 -0.017 0.000 0.216 587 S C 1.335 175.962 174.600 0.045 0.000 0.970 587 S CA 1.003 59.226 58.200 0.040 0.000 0.912 587 S CB -0.142 63.078 63.200 0.033 0.000 0.790 587 S HN 1.854 nan 8.310 nan 0.000 0.504 588 G N 1.278 110.115 108.800 0.062 0.000 2.153 588 G HA2 -0.276 3.674 3.960 -0.017 0.000 0.252 588 G HA3 -0.276 3.674 3.960 -0.017 0.000 0.252 588 G C 0.416 175.357 174.900 0.068 0.000 0.994 588 G CA 0.553 45.698 45.100 0.076 0.000 0.698 588 G HN 0.593 nan 8.290 nan 0.000 0.521 589 E N -0.210 120.022 120.200 0.054 0.000 2.340 589 E HA 0.394 4.734 4.350 -0.017 0.000 0.194 589 E C 1.775 178.386 176.600 0.019 0.000 0.996 589 E CA 0.337 56.757 56.400 0.033 0.000 0.869 589 E CB 0.223 29.938 29.700 0.024 0.000 0.835 589 E HN 0.755 nan 8.360 nan 0.000 0.493 590 A N 1.656 124.487 122.820 0.018 0.000 2.492 590 A HA 0.182 4.492 4.320 -0.017 0.000 0.254 590 A C 0.143 177.649 177.584 -0.131 0.000 1.091 590 A CA -0.117 51.876 52.037 -0.075 0.000 0.768 590 A CB 0.311 19.247 19.000 -0.107 0.000 1.028 590 A HN -0.005 nan 8.150 nan 0.000 0.498 591 V N 4.415 124.214 119.914 -0.192 0.000 2.406 591 V HA 0.269 4.379 4.120 -0.017 0.000 0.272 591 V C -0.420 175.492 176.094 -0.304 0.000 1.043 591 V CA -0.080 62.133 62.300 -0.144 0.000 0.915 591 V CB -0.200 31.570 31.823 -0.090 0.000 0.988 591 V HN 0.745 nan 8.190 nan 0.000 0.466 592 Y N 1.942 122.236 120.300 -0.009 0.000 2.458 592 Y HA 0.314 4.854 4.550 -0.017 0.000 0.322 592 Y C 1.619 177.509 175.900 -0.017 0.000 1.259 592 Y CA -0.396 57.698 58.100 -0.010 0.000 1.302 592 Y CB 0.484 38.937 38.460 -0.011 0.000 1.314 592 Y HN 0.644 nan 8.280 nan 0.000 0.509 593 C N 0.587 119.977 119.300 0.149 0.000 2.376 593 C HA -0.262 4.188 4.460 -0.017 0.000 0.275 593 C C 2.432 177.454 174.990 0.053 0.000 1.200 593 C CA 2.414 61.481 59.018 0.081 0.000 1.756 593 C CB -0.916 26.878 27.740 0.091 0.000 2.050 593 C HN 1.072 nan 8.230 nan 0.000 0.460 594 D N -0.295 120.153 120.400 0.080 0.000 2.348 594 D HA -0.060 4.570 4.640 -0.017 0.000 0.216 594 D C 1.470 177.802 176.300 0.053 0.000 0.970 594 D CA 0.873 54.914 54.000 0.069 0.000 0.889 594 D CB -0.297 40.550 40.800 0.080 0.000 0.912 594 D HN 0.558 nan 8.370 nan 0.000 0.524 595 D N -0.284 120.152 120.400 0.060 0.000 2.317 595 D HA -0.001 4.629 4.640 -0.017 0.000 0.211 595 D C 0.657 176.941 176.300 -0.025 0.000 0.966 595 D CA 0.133 54.156 54.000 0.039 0.000 0.876 595 D CB 0.169 41.019 40.800 0.082 0.000 0.927 595 D HN 0.363 nan 8.370 nan 0.000 0.519 596 I N 2.438 122.964 120.570 -0.074 0.000 2.683 596 I HA 0.006 4.166 4.170 -0.017 0.000 0.286 596 I C -1.898 174.123 176.117 -0.159 0.000 1.175 596 I CA -1.475 59.721 61.300 -0.173 0.000 1.429 596 I CB 0.234 38.045 38.000 -0.315 0.000 1.371 596 I HN -0.302 nan 8.210 nan 0.000 0.569 597 P HA 0.071 nan 4.420 nan 0.000 0.267 597 P C -0.923 176.244 177.300 -0.222 0.000 1.200 597 P CA -0.056 62.941 63.100 -0.170 0.000 0.772 597 P CB 0.433 32.017 31.700 -0.194 0.000 0.855 598 R N 1.984 122.406 120.500 -0.129 0.000 2.390 598 R HA 0.282 4.612 4.340 -0.017 0.000 0.291 598 R C -0.090 176.127 176.300 -0.138 0.000 1.070 598 R CA -0.282 55.764 56.100 -0.091 0.000 1.014 598 R CB 0.039 30.365 30.300 0.043 0.000 1.007 598 R HN 0.453 nan 8.270 nan 0.000 0.466 599 Y N 1.767 122.049 120.300 -0.029 0.000 2.550 599 Y HA -0.146 4.394 4.550 -0.017 0.000 0.343 599 Y C 1.873 177.777 175.900 0.008 0.000 1.245 599 Y CA 0.341 58.432 58.100 -0.015 0.000 1.462 599 Y CB 0.653 39.101 38.460 -0.021 0.000 1.340 599 Y HN 0.706 nan 8.280 nan 0.000 0.604 600 E N 0.512 120.832 120.200 0.200 0.000 2.147 600 E HA -0.309 4.031 4.350 -0.017 0.000 0.199 600 E C 0.614 177.296 176.600 0.136 0.000 1.005 600 E CA 1.764 58.241 56.400 0.129 0.000 0.810 600 E CB -0.342 29.419 29.700 0.101 0.000 0.736 600 E HN 0.720 nan 8.360 nan 0.000 0.460 601 N N 0.946 119.734 118.700 0.146 0.000 2.238 601 N HA 0.022 4.752 4.740 -0.017 0.000 0.222 601 N C -0.479 175.182 175.510 0.252 0.000 1.133 601 N CA -0.137 53.026 53.050 0.187 0.000 0.854 601 N CB 0.276 38.786 38.487 0.039 0.000 1.041 601 N HN 0.242 nan 8.380 nan 0.000 0.510 602 E N 0.923 121.212 120.200 0.148 0.000 2.338 602 E HA 0.274 4.614 4.350 -0.017 0.000 0.272 602 E C -0.518 176.015 176.600 -0.111 0.000 1.029 602 E CA -0.377 56.037 56.400 0.024 0.000 0.872 602 E CB 0.693 30.372 29.700 -0.034 0.000 1.015 602 E HN 0.231 nan 8.360 nan 0.000 0.417 603 L N 3.222 124.330 121.223 -0.192 0.000 2.335 603 L HA 0.565 4.895 4.340 -0.017 0.000 0.268 603 L C -0.637 175.940 176.870 -0.489 0.000 1.016 603 L CA -1.053 53.677 54.840 -0.184 0.000 0.805 603 L CB 0.797 42.805 42.059 -0.085 0.000 1.311 603 L HN 0.517 nan 8.230 nan 0.000 0.456 604 F N 0.636 120.605 119.950 0.031 0.000 2.551 604 F HA 0.600 5.117 4.527 -0.017 0.000 0.316 604 F C -0.341 175.481 175.800 0.037 0.000 1.089 604 F CA -0.503 57.523 58.000 0.043 0.000 0.915 604 F CB 1.933 40.961 39.000 0.047 0.000 1.186 604 F HN 0.151 nan 8.300 nan 0.000 0.456 605 L N 3.060 124.405 121.223 0.203 0.000 2.334 605 L HA 0.782 5.112 4.340 -0.017 0.000 0.276 605 L C -0.997 175.969 176.870 0.161 0.000 1.014 605 L CA -0.754 54.170 54.840 0.140 0.000 0.815 605 L CB 1.573 43.691 42.059 0.100 0.000 1.268 605 L HN 0.720 nan 8.230 nan 0.000 0.428 606 R N 4.149 124.736 120.500 0.145 0.000 2.502 606 R HA 0.548 4.878 4.340 -0.017 0.000 0.300 606 R C -1.529 174.857 176.300 0.142 0.000 0.984 606 R CA -0.448 55.740 56.100 0.147 0.000 0.882 606 R CB 1.246 31.639 30.300 0.156 0.000 1.180 606 R HN 0.682 nan 8.270 nan 0.000 0.444 607 L N 3.701 125.009 121.223 0.143 0.000 2.456 607 L HA 0.260 4.590 4.340 -0.017 0.000 0.272 607 L C -0.251 176.714 176.870 0.157 0.000 1.189 607 L CA -0.356 54.575 54.840 0.153 0.000 0.846 607 L CB 0.908 43.061 42.059 0.157 0.000 1.111 607 L HN 0.330 nan 8.230 nan 0.000 0.475 608 V N 2.241 122.253 119.914 0.163 0.000 2.459 608 V HA 0.466 4.576 4.120 -0.017 0.000 0.295 608 V C 0.112 176.309 176.094 0.172 0.000 1.029 608 V CA -0.299 62.111 62.300 0.182 0.000 0.874 608 V CB 1.776 33.762 31.823 0.272 0.000 0.985 608 V HN 0.799 nan 8.190 nan 0.000 0.438 609 T N 2.671 117.323 114.554 0.163 0.000 2.900 609 T HA 0.333 4.673 4.350 -0.017 0.000 0.295 609 T C -0.213 174.598 174.700 0.185 0.000 1.044 609 T CA -0.274 61.929 62.100 0.171 0.000 0.995 609 T CB 1.832 70.793 68.868 0.155 0.000 1.072 609 T HN 0.734 nan 8.240 nan 0.000 0.473 610 S N 0.984 116.810 115.700 0.210 0.000 2.558 610 S HA 0.127 4.587 4.470 -0.017 0.000 0.288 610 S C 1.354 176.025 174.600 0.118 0.000 1.318 610 S CA 0.295 58.633 58.200 0.229 0.000 1.056 610 S CB 0.243 63.580 63.200 0.228 0.000 0.853 610 S HN 0.866 nan 8.310 nan 0.000 0.505 611 T N 2.609 117.181 114.554 0.031 0.000 3.092 611 T HA 0.376 4.716 4.350 -0.017 0.000 0.258 611 T C 0.279 174.852 174.700 -0.211 0.000 1.031 611 T CA -0.481 61.582 62.100 -0.061 0.000 0.925 611 T CB 0.029 68.891 68.868 -0.010 0.000 1.036 611 T HN 0.424 nan 8.240 nan 0.000 0.544 612 R N 0.285 120.590 120.500 -0.324 0.000 2.670 612 R HA 0.765 5.095 4.340 -0.017 0.000 0.289 612 R C 0.952 177.192 176.300 -0.100 0.000 0.965 612 R CA -0.255 55.663 56.100 -0.304 0.000 0.899 612 R CB 1.443 31.398 30.300 -0.575 0.000 1.173 612 R HN 0.138 nan 8.270 nan 0.000 0.456 613 A N 1.127 123.920 122.820 -0.046 0.000 1.930 613 A HA -0.120 4.190 4.320 -0.017 0.000 0.217 613 A C 0.249 177.898 177.584 0.108 0.000 1.175 613 A CA 1.564 53.610 52.037 0.015 0.000 0.627 613 A CB -0.177 18.821 19.000 -0.003 0.000 0.815 613 A HN 0.643 nan 8.150 nan 0.000 0.443 614 H N -2.093 116.959 119.070 -0.031 0.000 3.179 614 H HA 0.620 5.166 4.556 -0.017 0.000 0.331 614 H C -0.933 174.402 175.328 0.011 0.000 1.013 614 H CA -0.430 55.622 56.048 0.007 0.000 1.430 614 H CB 0.823 30.582 29.762 -0.005 0.000 1.895 614 H HN 0.510 nan 8.280 nan 0.000 0.468 615 A N 4.036 126.860 122.820 0.006 0.000 2.597 615 A HA 0.503 4.813 4.320 -0.017 0.000 0.292 615 A C -1.267 176.354 177.584 0.060 0.000 1.057 615 A CA -1.030 50.995 52.037 -0.021 0.000 0.674 615 A CB 1.318 20.352 19.000 0.057 0.000 1.278 615 A HN 0.507 nan 8.150 nan 0.000 0.416 616 K N 0.907 121.332 120.400 0.041 0.000 2.249 616 K HA 0.487 4.797 4.320 -0.017 0.000 0.280 616 K C -0.742 175.917 176.600 0.098 0.000 1.033 616 K CA 0.058 56.379 56.287 0.057 0.000 0.946 616 K CB 0.888 33.398 32.500 0.017 0.000 1.005 616 K HN 0.521 nan 8.250 nan 0.000 0.469 617 I N 4.107 124.711 120.570 0.057 0.000 2.337 617 I HA 0.012 4.172 4.170 -0.017 0.000 0.291 617 I C 1.143 177.225 176.117 -0.058 0.000 1.046 617 I CA -0.135 61.146 61.300 -0.031 0.000 1.324 617 I CB 0.695 38.672 38.000 -0.038 0.000 1.409 617 I HN 0.467 nan 8.210 nan 0.000 0.494 618 K N 3.653 123.992 120.400 -0.101 0.000 2.308 618 K HA 0.174 4.484 4.320 -0.017 0.000 0.197 618 K C 0.303 176.847 176.600 -0.094 0.000 1.049 618 K CA 0.436 56.678 56.287 -0.076 0.000 0.991 618 K CB 0.387 32.853 32.500 -0.056 0.000 0.836 618 K HN 0.755 nan 8.250 nan 0.000 0.500 619 S N -0.320 115.293 115.700 -0.145 0.000 2.558 619 S HA 0.550 5.010 4.470 -0.017 0.000 0.277 619 S C -0.951 173.536 174.600 -0.188 0.000 1.143 619 S CA -1.009 57.108 58.200 -0.138 0.000 0.865 619 S CB 1.128 64.257 63.200 -0.119 0.000 1.102 619 S HN 0.026 nan 8.310 nan 0.000 0.454 620 I N 2.169 122.635 120.570 -0.173 0.000 2.439 620 I HA 0.426 4.586 4.170 -0.017 0.000 0.285 620 I C -1.183 174.779 176.117 -0.258 0.000 1.021 620 I CA -0.371 60.788 61.300 -0.235 0.000 1.091 620 I CB 1.779 39.640 38.000 -0.232 0.000 1.242 620 I HN 0.687 nan 8.210 nan 0.000 0.439 621 D N 6.328 126.571 120.400 -0.262 0.000 2.381 621 D HA 0.254 4.884 4.640 -0.017 0.000 0.235 621 D C 0.398 176.523 176.300 -0.291 0.000 1.068 621 D CA -0.319 53.541 54.000 -0.233 0.000 0.832 621 D CB 2.228 42.926 40.800 -0.170 0.000 1.101 621 D HN 0.385 nan 8.370 nan 0.000 0.515 622 V N 1.872 121.599 119.914 -0.311 0.000 3.483 622 V HA 0.098 4.208 4.120 -0.017 0.000 0.301 622 V C 1.658 177.577 176.094 -0.291 0.000 1.389 622 V CA 0.705 62.800 62.300 -0.341 0.000 1.101 622 V CB -0.293 31.297 31.823 -0.388 0.000 0.971 622 V HN 0.460 nan 8.190 nan 0.000 0.434 623 S N 0.443 116.012 115.700 -0.219 0.000 2.383 623 S HA -0.191 4.269 4.470 -0.017 0.000 0.229 623 S C 1.744 176.223 174.600 -0.202 0.000 1.030 623 S CA 1.586 59.673 58.200 -0.188 0.000 1.002 623 S CB -0.453 62.668 63.200 -0.132 0.000 0.829 623 S HN 0.622 nan 8.310 nan 0.000 0.467 624 E N 1.796 121.886 120.200 -0.184 0.000 2.152 624 E HA 0.146 4.486 4.350 -0.017 0.000 0.192 624 E C 2.417 178.894 176.600 -0.205 0.000 0.983 624 E CA 1.036 57.342 56.400 -0.157 0.000 0.818 624 E CB -0.695 28.941 29.700 -0.106 0.000 0.758 624 E HN 0.664 nan 8.360 nan 0.000 0.467 625 A N 1.184 123.838 122.820 -0.277 0.000 1.972 625 A HA -0.204 4.106 4.320 -0.017 0.000 0.219 625 A C 2.038 179.167 177.584 -0.759 0.000 1.169 625 A CA 1.251 53.069 52.037 -0.365 0.000 0.635 625 A CB -0.461 18.363 19.000 -0.292 0.000 0.810 625 A HN 0.206 nan 8.150 nan 0.000 0.446 626 Q N -0.458 118.823 119.800 -0.865 0.000 2.364 626 Q HA -0.089 4.241 4.340 -0.017 0.000 0.207 626 Q C 1.463 177.239 176.000 -0.374 0.000 0.970 626 Q CA 1.165 56.438 55.803 -0.883 0.000 0.888 626 Q CB -0.098 28.342 28.738 -0.497 0.000 0.951 626 Q HN 0.633 nan 8.270 nan 0.000 0.469 627 K N -0.072 120.168 120.400 -0.267 0.000 2.400 627 K HA 0.080 4.389 4.320 -0.017 0.000 0.194 627 K C 0.005 176.541 176.600 -0.107 0.000 1.033 627 K CA 0.004 56.206 56.287 -0.141 0.000 1.021 627 K CB 0.625 33.058 32.500 -0.111 0.000 0.808 627 K HN -0.049 nan 8.250 nan 0.000 0.505 628 V N 3.838 123.681 119.914 -0.118 0.000 2.508 628 V HA 0.072 4.182 4.120 -0.017 0.000 0.281 628 V C -2.199 173.829 176.094 -0.110 0.000 1.041 628 V CA -1.772 60.479 62.300 -0.081 0.000 1.016 628 V CB 0.601 32.413 31.823 -0.017 0.000 0.984 628 V HN 0.043 nan 8.190 nan 0.000 0.478 629 P HA 0.149 nan 4.420 nan 0.000 0.264 629 P C 0.955 177.990 177.300 -0.443 0.000 1.183 629 P CA 1.437 64.360 63.100 -0.294 0.000 0.763 629 P CB 0.460 31.953 31.700 -0.344 0.000 0.807 630 G N 2.176 110.896 108.800 -0.133 0.000 2.179 630 G HA2 -0.303 3.647 3.960 -0.017 0.000 0.260 630 G HA3 -0.303 3.647 3.960 -0.017 0.000 0.260 630 G C 0.125 175.077 174.900 0.088 0.000 0.977 630 G CA -0.321 44.786 45.100 0.012 0.000 0.641 630 G HN 0.565 nan 8.290 nan 0.000 0.533 631 F N 1.120 121.043 119.950 -0.045 0.000 2.578 631 F HA 0.434 4.951 4.527 -0.017 0.000 0.376 631 F C 1.301 177.108 175.800 0.012 0.000 1.085 631 F CA 0.708 58.711 58.000 0.004 0.000 1.260 631 F CB 0.974 39.971 39.000 -0.006 0.000 1.095 631 F HN -0.079 nan 8.300 nan 0.000 0.573 632 V N 4.658 124.144 119.914 -0.714 0.000 2.602 632 V HA 0.071 4.181 4.120 -0.017 0.000 0.235 632 V C 0.443 176.104 176.094 -0.721 0.000 1.087 632 V CA 1.081 63.071 62.300 -0.517 0.000 1.117 632 V CB 0.352 31.980 31.823 -0.325 0.000 0.820 632 V HN 1.018 nan 8.190 nan 0.000 0.490 633 C N -1.885 116.822 119.300 -0.987 0.000 3.312 633 C HA 0.699 5.149 4.460 -0.017 0.000 0.332 633 C C -1.195 173.649 174.990 -0.242 0.000 1.340 633 C CA -1.357 57.370 59.018 -0.486 0.000 1.265 633 C CB 0.851 28.487 27.740 -0.173 0.000 1.563 633 C HN 0.324 nan 8.230 nan 0.000 0.471 634 F N 1.873 121.843 119.950 0.034 0.000 2.427 634 F HA 0.807 5.324 4.527 -0.017 0.000 0.346 634 F C -0.652 175.120 175.800 -0.048 0.000 1.120 634 F CA -1.025 57.004 58.000 0.049 0.000 1.033 634 F CB 0.875 39.963 39.000 0.146 0.000 1.126 634 F HN 0.673 nan 8.300 nan 0.000 0.462 635 L N 6.127 126.867 121.223 -0.805 0.000 2.309 635 L HA 0.640 4.970 4.340 -0.017 0.000 0.282 635 L C -0.120 175.986 176.870 -1.273 0.000 1.036 635 L CA -0.462 53.952 54.840 -0.711 0.000 0.806 635 L CB 1.524 43.332 42.059 -0.418 0.000 1.220 635 L HN 0.795 nan 8.230 nan 0.000 0.429 636 S N 1.251 116.517 115.700 -0.723 0.000 2.840 636 S HA 0.647 5.107 4.470 -0.017 0.000 0.307 636 S C 0.756 175.291 174.600 -0.109 0.000 1.180 636 S CA -0.117 57.711 58.200 -0.620 0.000 0.846 636 S CB 1.333 64.427 63.200 -0.176 0.000 1.233 636 S HN 0.584 nan 8.310 nan 0.000 0.548 637 A N 1.038 123.905 122.820 0.079 0.000 1.927 637 A HA -0.158 4.152 4.320 -0.017 0.000 0.220 637 A C 1.573 179.226 177.584 0.115 0.000 1.185 637 A CA 2.313 54.464 52.037 0.190 0.000 0.639 637 A CB -1.512 17.568 19.000 0.134 0.000 0.820 637 A HN 0.836 nan 8.150 nan 0.000 0.451 638 D N 0.176 120.619 120.400 0.071 0.000 2.311 638 D HA -0.107 4.523 4.640 -0.017 0.000 0.212 638 D C 0.943 177.282 176.300 0.066 0.000 0.972 638 D CA 1.129 55.164 54.000 0.059 0.000 0.887 638 D CB -0.332 40.499 40.800 0.051 0.000 0.915 638 D HN 0.501 nan 8.370 nan 0.000 0.497 639 D N 0.086 120.531 120.400 0.075 0.000 2.347 639 D HA 0.029 4.658 4.640 -0.017 0.000 0.213 639 D C 0.883 177.252 176.300 0.115 0.000 0.985 639 D CA 0.006 54.061 54.000 0.093 0.000 0.879 639 D CB 0.807 41.651 40.800 0.073 0.000 0.919 639 D HN 0.272 nan 8.370 nan 0.000 0.526 640 I N 3.444 124.070 120.570 0.094 0.000 2.587 640 I HA -0.033 4.127 4.170 -0.017 0.000 0.284 640 I C -0.884 175.222 176.117 -0.019 0.000 1.134 640 I CA -0.999 60.319 61.300 0.031 0.000 1.410 640 I CB 1.069 39.080 38.000 0.019 0.000 1.392 640 I HN -0.151 nan 8.210 nan 0.000 0.545 641 P HA 0.020 nan 4.420 nan 0.000 0.224 641 P C 0.961 178.196 177.300 -0.107 0.000 1.157 641 P CA 0.771 63.800 63.100 -0.118 0.000 0.799 641 P CB 0.526 32.036 31.700 -0.318 0.000 0.809 642 G N -0.609 108.113 108.800 -0.130 0.000 2.598 642 G HA2 0.225 4.175 3.960 -0.017 0.000 0.225 642 G HA3 0.225 4.175 3.960 -0.017 0.000 0.225 642 G C -0.234 174.621 174.900 -0.074 0.000 1.631 642 G CA 0.305 45.344 45.100 -0.102 0.000 0.821 642 G HN 0.377 nan 8.290 nan 0.000 0.610 643 S N -0.632 115.017 115.700 -0.084 0.000 2.548 643 S HA 0.380 4.840 4.470 -0.017 0.000 0.276 643 S C -0.470 174.079 174.600 -0.085 0.000 1.129 643 S CA -0.595 57.561 58.200 -0.074 0.000 0.931 643 S CB 1.768 64.920 63.200 -0.081 0.000 1.068 643 S HN 0.198 nan 8.310 nan 0.000 0.480 644 N N 2.823 121.486 118.700 -0.061 0.000 2.322 644 N HA 0.154 4.884 4.740 -0.017 0.000 0.194 644 N C -0.472 174.992 175.510 -0.077 0.000 1.126 644 N CA 0.144 53.157 53.050 -0.063 0.000 0.845 644 N CB 0.288 38.770 38.487 -0.010 0.000 0.976 644 N HN 0.682 nan 8.380 nan 0.000 0.475 645 E N -0.167 119.978 120.200 -0.092 0.000 2.146 645 E HA 0.269 4.609 4.350 -0.017 0.000 0.282 645 E C -0.646 175.839 176.600 -0.192 0.000 0.989 645 E CA -0.205 56.133 56.400 -0.104 0.000 0.799 645 E CB 1.620 31.275 29.700 -0.075 0.000 1.088 645 E HN 0.026 nan 8.360 nan 0.000 0.397 646 T N 1.289 115.707 114.554 -0.227 0.000 2.681 646 T HA 0.733 5.073 4.350 -0.017 0.000 0.296 646 T C -0.873 173.598 174.700 -0.382 0.000 1.157 646 T CA 0.320 62.161 62.100 -0.432 0.000 1.025 646 T CB 1.544 70.163 68.868 -0.415 0.000 1.441 646 T HN 0.786 nan 8.240 nan 0.000 0.504 647 G N 0.599 109.048 108.800 -0.584 0.000 2.663 647 G HA2 -0.001 3.949 3.960 -0.017 0.000 0.686 647 G HA3 -0.001 3.949 3.960 -0.017 0.000 0.686 647 G C 0.232 175.103 174.900 -0.048 0.000 1.246 647 G CA -0.141 44.869 45.100 -0.150 0.000 0.795 647 G HN 1.050 nan 8.290 nan 0.000 0.627 648 L N 0.180 121.530 121.223 0.210 0.000 2.043 648 L HA 0.157 4.487 4.340 -0.017 0.000 0.212 648 L C 2.082 178.783 176.870 -0.281 0.000 1.075 648 L CA 2.505 57.393 54.840 0.081 0.000 0.752 648 L CB -0.515 41.575 42.059 0.051 0.000 0.891 648 L HN 0.577 nan 8.230 nan 0.000 0.432 649 F N -0.721 119.255 119.950 0.044 0.000 2.647 649 F HA 0.275 4.792 4.527 -0.017 0.000 0.300 649 F C 1.137 176.921 175.800 -0.028 0.000 1.106 649 F CA -0.380 57.623 58.000 0.005 0.000 1.313 649 F CB -0.266 38.723 39.000 -0.018 0.000 1.007 649 F HN 0.055 nan 8.300 nan 0.000 0.536 650 N N 1.479 120.193 118.700 0.024 0.000 2.741 650 N HA -0.188 4.542 4.740 -0.017 0.000 0.250 650 N C -0.031 175.482 175.510 0.005 0.000 1.115 650 N CA 1.245 54.272 53.050 -0.039 0.000 0.724 650 N CB -0.925 37.543 38.487 -0.032 0.000 1.090 650 N HN 0.528 nan 8.380 nan 0.000 0.558 651 D N -0.923 119.498 120.400 0.035 0.000 2.462 651 D HA 0.138 4.768 4.640 -0.017 0.000 0.221 651 D C 0.223 176.547 176.300 0.039 0.000 1.173 651 D CA 0.140 54.168 54.000 0.047 0.000 0.831 651 D CB 0.255 41.090 40.800 0.058 0.000 1.001 651 D HN 0.354 nan 8.370 nan 0.000 0.499 652 E N -0.059 120.148 120.200 0.011 0.000 2.281 652 E HA 0.493 4.833 4.350 -0.017 0.000 0.262 652 E C -0.374 176.237 176.600 0.019 0.000 0.933 652 E CA -0.924 55.492 56.400 0.028 0.000 0.809 652 E CB 1.688 31.393 29.700 0.008 0.000 1.242 652 E HN 0.129 nan 8.360 nan 0.000 0.418 653 T N -2.145 112.456 114.554 0.079 0.000 2.929 653 T HA 0.256 4.596 4.350 -0.017 0.000 0.284 653 T C 1.044 175.728 174.700 -0.027 0.000 1.014 653 T CA -0.832 61.289 62.100 0.035 0.000 1.051 653 T CB 1.360 70.278 68.868 0.083 0.000 1.028 653 T HN 0.159 nan 8.240 nan 0.000 0.485 654 V N 0.465 120.296 119.914 -0.138 0.000 2.270 654 V HA 0.118 4.228 4.120 -0.017 0.000 0.245 654 V C 0.356 176.196 176.094 -0.424 0.000 1.043 654 V CA 1.182 63.279 62.300 -0.338 0.000 1.014 654 V CB -0.724 30.818 31.823 -0.469 0.000 0.645 654 V HN 0.848 nan 8.190 nan 0.000 0.447 655 F N -0.863 119.075 119.950 -0.020 0.000 2.529 655 F HA 0.707 5.224 4.527 -0.017 0.000 0.320 655 F C 0.327 176.089 175.800 -0.063 0.000 1.118 655 F CA -0.919 57.055 58.000 -0.043 0.000 0.915 655 F CB 1.204 40.170 39.000 -0.056 0.000 1.161 655 F HN 0.010 nan 8.300 nan 0.000 0.445 656 A N 3.597 126.444 122.820 0.045 0.000 2.498 656 A HA 0.167 4.477 4.320 -0.017 0.000 0.239 656 A C 0.865 178.455 177.584 0.010 0.000 1.068 656 A CA 0.046 52.021 52.037 -0.104 0.000 0.766 656 A CB 0.635 19.382 19.000 -0.422 0.000 1.003 656 A HN 1.018 nan 8.150 nan 0.000 0.497 657 K N 0.051 120.467 120.400 0.026 0.000 2.266 657 K HA 0.046 4.356 4.320 -0.017 0.000 0.209 657 K C 0.230 176.850 176.600 0.033 0.000 1.065 657 K CA 0.663 56.976 56.287 0.042 0.000 0.946 657 K CB 0.269 32.799 32.500 0.050 0.000 1.069 657 K HN 0.756 nan 8.250 nan 0.000 0.472 658 D N 0.051 120.475 120.400 0.041 0.000 2.470 658 D HA 0.009 4.639 4.640 -0.017 0.000 0.238 658 D C 0.229 176.563 176.300 0.055 0.000 1.054 658 D CA 0.664 54.688 54.000 0.040 0.000 0.896 658 D CB 1.183 42.008 40.800 0.042 0.000 1.118 658 D HN 0.336 nan 8.370 nan 0.000 0.497 659 T N -0.810 113.793 114.554 0.082 0.000 2.909 659 T HA 0.559 4.899 4.350 -0.017 0.000 0.299 659 T C -0.316 174.487 174.700 0.171 0.000 1.073 659 T CA -0.865 61.312 62.100 0.128 0.000 0.999 659 T CB 2.360 71.319 68.868 0.151 0.000 1.098 659 T HN -0.128 nan 8.240 nan 0.000 0.477 660 V N 0.791 120.848 119.914 0.238 0.000 2.547 660 V HA 0.835 4.945 4.120 -0.017 0.000 0.299 660 V C 0.708 177.072 176.094 0.449 0.000 1.040 660 V CA -0.129 62.385 62.300 0.356 0.000 0.913 660 V CB 1.161 33.163 31.823 0.297 0.000 0.992 660 V HN 1.221 nan 8.190 nan 0.000 0.449 661 T N -1.404 113.448 114.554 0.497 0.000 3.111 661 T HA 0.384 4.724 4.350 -0.017 0.000 0.284 661 T C 0.211 174.914 174.700 0.005 0.000 0.983 661 T CA 0.381 62.576 62.100 0.158 0.000 0.900 661 T CB -0.643 68.237 68.868 0.019 0.000 1.132 661 T HN 1.622 nan 8.240 nan 0.000 0.531 662 C N -0.602 118.739 119.300 0.069 0.000 3.307 662 C HA 0.781 5.231 4.460 -0.017 0.000 0.333 662 C C -0.341 174.702 174.990 0.088 0.000 1.291 662 C CA -1.231 57.804 59.018 0.028 0.000 1.273 662 C CB 0.914 28.631 27.740 -0.037 0.000 1.580 662 C HN 0.164 nan 8.230 nan 0.000 0.481 663 V N 2.898 122.843 119.914 0.052 0.000 2.540 663 V HA 0.491 4.601 4.120 -0.017 0.000 0.297 663 V C 1.596 177.746 176.094 0.094 0.000 1.024 663 V CA 2.397 64.732 62.300 0.058 0.000 1.105 663 V CB 0.278 32.121 31.823 0.033 0.000 0.938 663 V HN 2.253 nan 8.190 nan 0.000 0.482 664 G N 3.075 111.949 108.800 0.123 0.000 2.195 664 G HA2 -0.247 3.703 3.960 -0.017 0.000 0.224 664 G HA3 -0.247 3.703 3.960 -0.017 0.000 0.224 664 G C 0.227 175.245 174.900 0.197 0.000 0.990 664 G CA 0.215 45.397 45.100 0.137 0.000 0.639 664 G HN 0.929 nan 8.290 nan 0.000 0.514 665 H N 0.689 119.818 119.070 0.099 0.000 3.046 665 H HA 0.388 4.934 4.556 -0.017 0.000 0.303 665 H C 0.819 176.232 175.328 0.142 0.000 1.002 665 H CA -0.533 55.582 56.048 0.112 0.000 1.460 665 H CB 0.190 30.022 29.762 0.116 0.000 1.493 665 H HN 0.271 nan 8.280 nan 0.000 0.559 666 I N 7.287 128.058 120.570 0.336 0.000 2.517 666 I HA -0.135 4.025 4.170 -0.017 0.000 0.285 666 I C 0.923 177.145 176.117 0.176 0.000 1.106 666 I CA 0.402 61.847 61.300 0.241 0.000 1.402 666 I CB 0.697 38.853 38.000 0.261 0.000 1.399 666 I HN 0.702 nan 8.210 nan 0.000 0.535 667 I N 4.586 125.252 120.570 0.160 0.000 3.172 667 I HA 0.281 4.441 4.170 -0.017 0.000 0.278 667 I C 1.216 177.322 176.117 -0.019 0.000 1.174 667 I CA 0.254 61.611 61.300 0.095 0.000 1.445 667 I CB 0.192 38.252 38.000 0.101 0.000 1.175 667 I HN 0.742 nan 8.210 nan 0.000 0.447 668 G N 0.272 108.982 108.800 -0.150 0.000 2.570 668 G HA2 0.752 4.702 3.960 -0.017 0.000 0.310 668 G HA3 0.752 4.702 3.960 -0.017 0.000 0.310 668 G C -2.059 172.501 174.900 -0.567 0.000 1.266 668 G CA 0.114 44.672 45.100 -0.904 0.000 0.825 668 G HN 0.184 nan 8.290 nan 0.000 0.483 669 A N -1.248 121.091 122.820 -0.800 0.000 2.574 669 A HA 0.740 5.050 4.320 -0.017 0.000 0.297 669 A C -1.239 176.223 177.584 -0.203 0.000 1.062 669 A CA -0.421 51.464 52.037 -0.254 0.000 0.686 669 A CB 1.693 20.658 19.000 -0.057 0.000 1.285 669 A HN 1.449 nan 8.150 nan 0.000 0.403 670 V N 1.487 121.454 119.914 0.088 0.000 2.539 670 V HA 0.535 4.645 4.120 -0.017 0.000 0.292 670 V C -0.151 175.968 176.094 0.041 0.000 1.045 670 V CA -0.389 62.008 62.300 0.162 0.000 0.945 670 V CB 1.569 33.586 31.823 0.325 0.000 0.993 670 V HN 0.684 nan 8.190 nan 0.000 0.464 671 V N 3.677 123.537 119.914 -0.089 0.000 2.495 671 V HA 0.937 5.047 4.120 -0.017 0.000 0.298 671 V C 0.211 176.217 176.094 -0.147 0.000 1.031 671 V CA -0.163 62.082 62.300 -0.093 0.000 0.871 671 V CB 1.353 33.092 31.823 -0.139 0.000 0.988 671 V HN 1.102 nan 8.190 nan 0.000 0.432 672 A N 2.774 125.609 122.820 0.024 0.000 2.583 672 A HA 0.691 5.001 4.320 -0.017 0.000 0.289 672 A C 0.362 178.067 177.584 0.202 0.000 1.151 672 A CA -0.039 52.045 52.037 0.078 0.000 0.695 672 A CB 1.448 20.553 19.000 0.175 0.000 1.290 672 A HN 0.752 nan 8.150 nan 0.000 0.419 673 D N -0.387 120.144 120.400 0.219 0.000 2.317 673 D HA 0.049 4.679 4.640 -0.017 0.000 0.211 673 D C 0.659 177.152 176.300 0.322 0.000 0.966 673 D CA 1.626 55.786 54.000 0.265 0.000 0.876 673 D CB -0.162 40.760 40.800 0.203 0.000 0.927 673 D HN 0.771 nan 8.370 nan 0.000 0.519 674 T N -4.631 110.007 114.554 0.141 0.000 2.883 674 T HA 0.416 4.756 4.350 -0.017 0.000 0.301 674 T C -2.431 171.992 174.700 -0.461 0.000 1.158 674 T CA -1.537 60.345 62.100 -0.364 0.000 1.007 674 T CB 2.802 71.425 68.868 -0.409 0.000 1.186 674 T HN -0.353 nan 8.240 nan 0.000 0.499 675 P HA -0.011 nan 4.420 nan 0.000 0.219 675 P C 0.934 178.136 177.300 -0.163 0.000 1.150 675 P CA 1.078 63.947 63.100 -0.385 0.000 0.814 675 P CB 0.223 31.683 31.700 -0.399 0.000 0.787 676 E N -0.856 119.209 120.200 -0.225 0.000 2.077 676 E HA -0.197 4.143 4.350 -0.017 0.000 0.193 676 E C 2.192 178.792 176.600 -0.000 0.000 0.989 676 E CA 1.199 57.518 56.400 -0.134 0.000 0.800 676 E CB -0.870 28.701 29.700 -0.215 0.000 0.746 676 E HN 0.388 nan 8.360 nan 0.000 0.452 677 H N -0.155 118.906 119.070 -0.014 0.000 2.357 677 H HA 0.092 4.638 4.556 -0.017 0.000 0.301 677 H C 2.004 177.388 175.328 0.094 0.000 1.082 677 H CA 1.294 57.370 56.048 0.046 0.000 1.342 677 H CB -0.685 29.111 29.762 0.056 0.000 1.389 677 H HN 0.231 nan 8.280 nan 0.000 0.511 678 A N 0.916 123.863 122.820 0.210 0.000 1.908 678 A HA -0.234 4.076 4.320 -0.017 0.000 0.218 678 A C 2.390 180.080 177.584 0.177 0.000 1.181 678 A CA 1.958 54.112 52.037 0.194 0.000 0.627 678 A CB -0.492 18.617 19.000 0.180 0.000 0.818 678 A HN 0.557 nan 8.150 nan 0.000 0.445 679 E N -0.439 119.841 120.200 0.134 0.000 2.051 679 E HA -0.214 4.126 4.350 -0.017 0.000 0.192 679 E C 2.325 179.014 176.600 0.148 0.000 0.991 679 E CA 1.019 57.494 56.400 0.124 0.000 0.799 679 E CB -0.144 29.602 29.700 0.076 0.000 0.748 679 E HN 0.551 nan 8.360 nan 0.000 0.449 680 R N -0.010 120.576 120.500 0.144 0.000 2.083 680 R HA -0.155 4.175 4.340 -0.017 0.000 0.237 680 R C 2.436 178.831 176.300 0.158 0.000 1.137 680 R CA 1.243 57.427 56.100 0.140 0.000 0.951 680 R CB -0.449 29.939 30.300 0.146 0.000 0.851 680 R HN 0.218 nan 8.270 nan 0.000 0.434 681 A N 1.162 124.089 122.820 0.178 0.000 1.902 681 A HA -0.107 4.203 4.320 -0.017 0.000 0.217 681 A C 2.380 180.066 177.584 0.170 0.000 1.181 681 A CA 1.725 53.868 52.037 0.177 0.000 0.623 681 A CB -0.580 18.615 19.000 0.326 0.000 0.818 681 A HN 0.416 nan 8.150 nan 0.000 0.443 682 A N -1.137 121.802 122.820 0.199 0.000 1.933 682 A HA -0.187 4.123 4.320 -0.017 0.000 0.218 682 A C 1.983 179.650 177.584 0.137 0.000 1.175 682 A CA 2.035 54.182 52.037 0.183 0.000 0.628 682 A CB -0.848 18.264 19.000 0.188 0.000 0.814 682 A HN 0.770 nan 8.150 nan 0.000 0.444 683 H N -0.143 118.974 119.070 0.078 0.000 2.457 683 H HA -0.017 4.529 4.556 -0.017 0.000 0.294 683 H C 1.487 176.835 175.328 0.032 0.000 1.064 683 H CA 1.787 57.869 56.048 0.057 0.000 1.330 683 H CB 0.104 29.898 29.762 0.053 0.000 1.395 683 H HN 0.331 nan 8.280 nan 0.000 0.541 684 V N -1.604 118.334 119.914 0.041 0.000 3.542 684 V HA 0.270 4.380 4.120 -0.017 0.000 0.296 684 V C 0.490 176.529 176.094 -0.092 0.000 1.364 684 V CA -0.322 61.962 62.300 -0.028 0.000 1.118 684 V CB -0.195 31.637 31.823 0.015 0.000 0.972 684 V HN 0.006 nan 8.190 nan 0.000 0.430 685 V N 2.606 122.463 119.914 -0.094 0.000 2.479 685 V HA 0.203 4.313 4.120 -0.017 0.000 0.281 685 V C 0.458 176.459 176.094 -0.154 0.000 1.031 685 V CA 0.174 62.381 62.300 -0.155 0.000 1.038 685 V CB 0.363 32.101 31.823 -0.141 0.000 0.981 685 V HN 0.567 nan 8.190 nan 0.000 0.478 686 K N 4.392 124.686 120.400 -0.175 0.000 2.213 686 K HA 0.666 4.975 4.320 -0.017 0.000 0.270 686 K C -1.047 175.441 176.600 -0.186 0.000 1.002 686 K CA -0.552 55.646 56.287 -0.149 0.000 0.868 686 K CB 1.970 34.395 32.500 -0.125 0.000 1.093 686 K HN 0.446 nan 8.250 nan 0.000 0.454 687 V N 2.279 122.077 119.914 -0.193 0.000 2.555 687 V HA 0.338 4.448 4.120 -0.017 0.000 0.302 687 V C -0.199 175.625 176.094 -0.450 0.000 1.038 687 V CA -0.772 61.309 62.300 -0.365 0.000 0.887 687 V CB 1.975 33.522 31.823 -0.461 0.000 0.991 687 V HN 0.751 nan 8.190 nan 0.000 0.434 688 T N 4.270 118.541 114.554 -0.471 0.000 2.797 688 T HA 0.712 5.052 4.350 -0.017 0.000 0.279 688 T C -1.136 173.335 174.700 -0.382 0.000 0.991 688 T CA -0.170 61.749 62.100 -0.302 0.000 0.979 688 T CB 0.748 69.526 68.868 -0.151 0.000 0.943 688 T HN 0.475 nan 8.240 nan 0.000 0.444 689 Y N 0.771 121.062 120.300 -0.016 0.000 2.570 689 Y HA 0.555 5.095 4.550 -0.016 0.000 0.345 689 Y C 0.350 176.239 175.900 -0.018 0.000 1.014 689 Y CA -1.198 56.895 58.100 -0.013 0.000 1.063 689 Y CB 1.713 40.170 38.460 -0.005 0.000 1.272 689 Y HN 0.514 nan 8.280 nan 0.000 0.477 690 E N 1.889 122.183 120.200 0.155 0.000 2.235 690 E HA 0.195 4.535 4.350 -0.017 0.000 0.252 690 E C -1.479 175.140 176.600 0.030 0.000 0.886 690 E CA -0.779 55.662 56.400 0.067 0.000 0.767 690 E CB 0.739 30.454 29.700 0.026 0.000 1.205 690 E HN 0.583 nan 8.360 nan 0.000 0.421 691 D N 3.477 123.883 120.400 0.009 0.000 2.472 691 D HA 0.120 4.750 4.640 -0.017 0.000 0.237 691 D C -0.106 176.145 176.300 -0.081 0.000 1.141 691 D CA 0.673 54.651 54.000 -0.038 0.000 0.875 691 D CB 0.749 41.530 40.800 -0.031 0.000 1.192 691 D HN 0.411 nan 8.370 nan 0.000 0.450 692 L N 2.627 123.756 121.223 -0.156 0.000 2.341 692 L HA 0.372 4.702 4.340 -0.017 0.000 0.267 692 L C -2.247 174.576 176.870 -0.079 0.000 1.009 692 L CA -2.131 52.578 54.840 -0.219 0.000 0.819 692 L CB 1.852 43.552 42.059 -0.598 0.000 1.323 692 L HN 0.089 nan 8.230 nan 0.000 0.425 693 P HA 0.062 nan 4.420 nan 0.000 0.261 693 P C -0.988 176.412 177.300 0.167 0.000 1.183 693 P CA 0.159 63.292 63.100 0.056 0.000 0.761 693 P CB 0.573 32.296 31.700 0.038 0.000 0.785 694 A N 4.109 126.986 122.820 0.094 0.000 2.320 694 A HA 0.737 5.046 4.320 -0.017 0.000 0.334 694 A C -0.479 177.093 177.584 -0.021 0.000 1.147 694 A CA -0.725 51.352 52.037 0.068 0.000 0.820 694 A CB 0.722 19.752 19.000 0.050 0.000 1.218 694 A HN 0.483 nan 8.150 nan 0.000 0.482 695 I N 2.026 122.548 120.570 -0.079 0.000 2.410 695 I HA 0.320 4.480 4.170 -0.017 0.000 0.286 695 I C -0.135 175.907 176.117 -0.124 0.000 1.009 695 I CA 0.047 61.280 61.300 -0.111 0.000 1.111 695 I CB 1.617 39.526 38.000 -0.151 0.000 1.262 695 I HN 0.683 nan 8.210 nan 0.000 0.443 696 I N 2.703 123.204 120.570 -0.115 0.000 3.443 696 I HA 0.051 4.211 4.170 -0.017 0.000 0.277 696 I C 1.189 177.222 176.117 -0.141 0.000 1.169 696 I CA 0.413 61.629 61.300 -0.139 0.000 1.419 696 I CB 0.393 38.313 38.000 -0.133 0.000 1.331 696 I HN 0.592 nan 8.210 nan 0.000 0.458 697 T N -1.177 113.310 114.554 -0.112 0.000 2.902 697 T HA 0.404 4.744 4.350 -0.017 0.000 0.280 697 T C 1.248 175.905 174.700 -0.073 0.000 0.992 697 T CA -0.477 61.570 62.100 -0.089 0.000 1.015 697 T CB 1.488 70.303 68.868 -0.088 0.000 1.044 697 T HN 0.059 nan 8.240 nan 0.000 0.520 698 I N 0.585 121.141 120.570 -0.023 0.000 2.163 698 I HA -0.184 3.976 4.170 -0.017 0.000 0.243 698 I C 2.629 178.695 176.117 -0.085 0.000 1.085 698 I CA 1.557 62.851 61.300 -0.011 0.000 1.347 698 I CB -0.421 37.634 38.000 0.092 0.000 1.044 698 I HN 0.712 nan 8.210 nan 0.000 0.408 699 E N 0.891 121.039 120.200 -0.086 0.000 2.058 699 E HA -0.233 4.107 4.350 -0.017 0.000 0.194 699 E C 1.795 178.329 176.600 -0.109 0.000 0.997 699 E CA 1.387 57.725 56.400 -0.102 0.000 0.801 699 E CB -0.299 29.353 29.700 -0.080 0.000 0.746 699 E HN 0.381 nan 8.360 nan 0.000 0.450 700 D N 0.017 120.355 120.400 -0.104 0.000 2.126 700 D HA -0.217 4.413 4.640 -0.017 0.000 0.190 700 D C 1.848 178.052 176.300 -0.160 0.000 1.001 700 D CA 1.832 55.764 54.000 -0.113 0.000 0.841 700 D CB -0.495 40.241 40.800 -0.107 0.000 0.949 700 D HN 0.232 nan 8.370 nan 0.000 0.446 701 A N 0.464 123.169 122.820 -0.192 0.000 1.877 701 A HA -0.149 4.161 4.320 -0.017 0.000 0.216 701 A C 2.465 179.799 177.584 -0.415 0.000 1.186 701 A CA 1.109 52.958 52.037 -0.314 0.000 0.620 701 A CB -0.753 18.078 19.000 -0.283 0.000 0.822 701 A HN 0.232 nan 8.150 nan 0.000 0.443 702 I N -0.504 119.919 120.570 -0.245 0.000 2.179 702 I HA -0.276 3.884 4.170 -0.017 0.000 0.242 702 I C 2.573 178.630 176.117 -0.099 0.000 1.088 702 I CA 1.829 63.063 61.300 -0.110 0.000 1.357 702 I CB -0.290 37.626 38.000 -0.140 0.000 1.051 702 I HN 0.348 nan 8.210 nan 0.000 0.409 703 K N 0.943 121.276 120.400 -0.112 0.000 2.103 703 K HA -0.189 4.121 4.320 -0.017 0.000 0.207 703 K C 1.385 177.929 176.600 -0.094 0.000 1.048 703 K CA 1.476 57.715 56.287 -0.080 0.000 0.930 703 K CB -0.088 32.368 32.500 -0.074 0.000 0.716 703 K HN 0.393 nan 8.250 nan 0.000 0.444 704 N N 1.160 119.767 118.700 -0.154 0.000 2.270 704 N HA -0.076 4.654 4.740 -0.017 0.000 0.198 704 N C -0.315 175.069 175.510 -0.210 0.000 1.117 704 N CA 0.132 53.087 53.050 -0.160 0.000 0.845 704 N CB 0.066 38.452 38.487 -0.169 0.000 0.980 704 N HN 0.234 nan 8.380 nan 0.000 0.486 705 N N 0.821 119.365 118.700 -0.260 0.000 2.725 705 N HA -0.201 4.528 4.740 -0.017 0.000 0.251 705 N C -1.106 174.064 175.510 -0.567 0.000 1.031 705 N CA 0.342 53.219 53.050 -0.288 0.000 0.720 705 N CB -1.190 37.295 38.487 -0.004 0.000 0.930 705 N HN -0.030 nan 8.380 nan 0.000 0.543 706 S N 1.210 116.347 115.700 -0.939 0.000 2.543 706 S HA 0.582 5.042 4.470 -0.017 0.000 0.299 706 S C -0.833 173.236 174.600 -0.884 0.000 1.125 706 S CA -0.552 57.229 58.200 -0.698 0.000 1.098 706 S CB -0.290 62.623 63.200 -0.478 0.000 1.063 706 S HN 0.316 nan 8.310 nan 0.000 0.493 707 F N 2.407 122.244 119.950 -0.188 0.000 2.588 707 F HA 0.468 4.984 4.527 -0.017 0.000 0.314 707 F C -0.576 175.076 175.800 -0.247 0.000 1.069 707 F CA -1.275 56.616 58.000 -0.182 0.000 0.931 707 F CB 1.337 40.310 39.000 -0.044 0.000 1.260 707 F HN 0.303 nan 8.300 nan 0.000 0.465 708 Y N 1.330 121.742 120.300 0.187 0.000 2.350 708 Y HA 0.487 5.026 4.550 -0.017 0.000 0.340 708 Y C 0.877 176.812 175.900 0.059 0.000 1.006 708 Y CA -0.009 58.135 58.100 0.074 0.000 1.166 708 Y CB 0.891 39.362 38.460 0.019 0.000 1.168 708 Y HN 0.905 nan 8.280 nan 0.000 0.502 709 G N 2.126 111.032 108.800 0.176 0.000 2.692 709 G HA2 -0.208 3.742 3.960 -0.017 0.000 0.248 709 G HA3 -0.208 3.742 3.960 -0.017 0.000 0.248 709 G C -0.289 174.643 174.900 0.054 0.000 1.340 709 G CA -0.371 44.778 45.100 0.082 0.000 0.896 709 G HN 0.836 nan 8.290 nan 0.000 0.570 710 S N -0.959 114.746 115.700 0.009 0.000 2.738 710 S HA 0.634 5.094 4.470 -0.017 0.000 0.284 710 S C 0.204 174.756 174.600 -0.080 0.000 1.146 710 S CA 0.034 58.214 58.200 -0.034 0.000 0.997 710 S CB 1.810 64.993 63.200 -0.028 0.000 1.081 710 S HN 0.956 nan 8.310 nan 0.000 0.553 711 E N 0.068 120.196 120.200 -0.119 0.000 2.415 711 E HA 0.154 4.494 4.350 -0.017 0.000 0.263 711 E C -0.973 175.545 176.600 -0.137 0.000 0.995 711 E CA -0.136 56.172 56.400 -0.154 0.000 0.915 711 E CB 0.281 29.897 29.700 -0.140 0.000 0.951 711 E HN 0.432 nan 8.360 nan 0.000 0.449 712 L N 4.525 125.640 121.223 -0.181 0.000 2.334 712 L HA 0.413 4.743 4.340 -0.017 0.000 0.277 712 L C 0.087 176.888 176.870 -0.115 0.000 1.075 712 L CA -0.138 54.562 54.840 -0.232 0.000 0.804 712 L CB 1.097 42.941 42.059 -0.357 0.000 1.174 712 L HN 0.515 nan 8.230 nan 0.000 0.438 713 K N 3.412 123.799 120.400 -0.021 0.000 2.542 713 K HA 0.618 4.927 4.320 -0.017 0.000 0.259 713 K C -1.779 174.989 176.600 0.281 0.000 0.932 713 K CA -0.552 55.800 56.287 0.109 0.000 0.820 713 K CB 2.033 34.580 32.500 0.078 0.000 1.345 713 K HN 0.476 nan 8.250 nan 0.000 0.432 714 I N 2.418 123.139 120.570 0.251 0.000 2.499 714 I HA 0.359 4.519 4.170 -0.017 0.000 0.288 714 I C -0.943 175.313 176.117 0.231 0.000 1.048 714 I CA -0.651 60.819 61.300 0.284 0.000 1.062 714 I CB 2.180 40.364 38.000 0.307 0.000 1.238 714 I HN 0.645 nan 8.210 nan 0.000 0.426 715 E N 6.265 126.584 120.200 0.198 0.000 2.292 715 E HA 0.536 4.876 4.350 -0.017 0.000 0.272 715 E C -1.514 175.166 176.600 0.133 0.000 0.881 715 E CA -0.847 55.642 56.400 0.147 0.000 0.754 715 E CB 2.666 32.431 29.700 0.109 0.000 1.201 715 E HN 0.499 nan 8.360 nan 0.000 0.425 716 K N 2.681 123.146 120.400 0.107 0.000 2.498 716 K HA 0.601 4.911 4.320 -0.017 0.000 0.254 716 K C -0.253 176.368 176.600 0.036 0.000 0.933 716 K CA 0.173 56.508 56.287 0.079 0.000 0.806 716 K CB 1.659 34.222 32.500 0.105 0.000 1.301 716 K HN 0.752 nan 8.250 nan 0.000 0.432 717 G N 2.266 111.078 108.800 0.019 0.000 2.553 717 G HA2 -0.220 3.730 3.960 -0.017 0.000 0.242 717 G HA3 -0.220 3.730 3.960 -0.017 0.000 0.242 717 G C -1.254 173.642 174.900 -0.007 0.000 1.277 717 G CA 0.112 45.209 45.100 -0.006 0.000 0.910 717 G HN 0.666 nan 8.290 nan 0.000 0.576 718 D N 0.288 120.671 120.400 -0.028 0.000 2.389 718 D HA 0.491 5.121 4.640 -0.017 0.000 0.256 718 D C 1.649 177.924 176.300 -0.041 0.000 1.239 718 D CA -0.497 53.492 54.000 -0.019 0.000 0.925 718 D CB 0.664 41.454 40.800 -0.016 0.000 1.145 718 D HN 0.350 nan 8.370 nan 0.000 0.542 719 L N 1.943 123.154 121.223 -0.020 0.000 2.017 719 L HA -0.048 4.282 4.340 -0.017 0.000 0.208 719 L C 1.537 178.445 176.870 0.062 0.000 1.073 719 L CA 0.956 55.777 54.840 -0.032 0.000 0.745 719 L CB -0.123 41.984 42.059 0.079 0.000 0.894 719 L HN 0.257 nan 8.230 nan 0.000 0.432 720 K N 0.654 121.119 120.400 0.107 0.000 2.412 720 K HA -0.030 4.280 4.320 -0.017 0.000 0.281 720 K C 0.567 177.193 176.600 0.043 0.000 1.027 720 K CA 0.491 56.843 56.287 0.107 0.000 0.989 720 K CB 0.774 33.318 32.500 0.073 0.000 0.935 720 K HN 0.101 nan 8.250 nan 0.000 0.475 721 K N 1.519 121.943 120.400 0.039 0.000 5.199 721 K HA -0.166 4.144 4.320 -0.017 0.000 0.460 721 K C 1.359 177.940 176.600 -0.032 0.000 0.352 721 K CA 1.030 57.317 56.287 -0.000 0.000 1.973 721 K CB -1.823 30.669 32.500 -0.013 0.000 0.539 721 K HN 0.788 nan 8.250 nan 0.000 0.601 722 G N 0.670 109.415 108.800 -0.090 0.000 2.491 722 G HA2 -0.218 3.732 3.960 -0.017 0.000 0.218 722 G HA3 -0.218 3.732 3.960 -0.017 0.000 0.218 722 G C 1.311 176.090 174.900 -0.201 0.000 1.180 722 G CA 1.472 46.452 45.100 -0.200 0.000 0.774 722 G HN 0.323 nan 8.290 nan 0.000 0.562 723 F N 1.258 121.177 119.950 -0.051 0.000 2.293 723 F HA -0.032 4.484 4.527 -0.018 0.000 0.300 723 F C 3.090 178.852 175.800 -0.063 0.000 1.086 723 F CA 0.947 58.910 58.000 -0.062 0.000 1.375 723 F CB 0.128 39.094 39.000 -0.057 0.000 1.045 723 F HN 0.085 nan 8.300 nan 0.000 0.516 724 S N -0.174 115.591 115.700 0.109 0.000 2.368 724 S HA -0.183 4.277 4.470 -0.017 0.000 0.224 724 S C 1.720 176.326 174.600 0.010 0.000 1.029 724 S CA 1.273 59.500 58.200 0.045 0.000 0.988 724 S CB -0.295 62.921 63.200 0.026 0.000 0.838 724 S HN 0.451 nan 8.310 nan 0.000 0.462 725 E N 1.170 121.364 120.200 -0.010 0.000 2.358 725 E HA 0.172 4.512 4.350 -0.017 0.000 0.195 725 E C 0.694 177.271 176.600 -0.039 0.000 1.010 725 E CA 0.124 56.507 56.400 -0.029 0.000 0.856 725 E CB -0.029 29.646 29.700 -0.042 0.000 0.795 725 E HN 0.430 nan 8.360 nan 0.000 0.504 726 A N 1.671 124.467 122.820 -0.040 0.000 2.498 726 A HA -0.050 4.260 4.320 -0.017 0.000 0.239 726 A C 0.492 178.018 177.584 -0.097 0.000 1.068 726 A CA -0.134 51.859 52.037 -0.073 0.000 0.766 726 A CB 0.327 19.294 19.000 -0.055 0.000 1.003 726 A HN -0.016 nan 8.150 nan 0.000 0.497 727 D N 0.655 120.972 120.400 -0.137 0.000 2.162 727 D HA -0.011 4.619 4.640 -0.017 0.000 0.203 727 D C 0.040 176.203 176.300 -0.229 0.000 0.967 727 D CA 1.291 55.206 54.000 -0.141 0.000 0.840 727 D CB 0.088 40.826 40.800 -0.102 0.000 0.972 727 D HN 0.594 nan 8.370 nan 0.000 0.482 728 N N -0.337 118.086 118.700 -0.461 0.000 2.262 728 N HA 0.411 5.141 4.740 -0.017 0.000 0.295 728 N C -1.035 174.061 175.510 -0.690 0.000 1.161 728 N CA -0.478 52.193 53.050 -0.631 0.000 0.767 728 N CB 3.128 41.038 38.487 -0.961 0.000 1.499 728 N HN -0.269 nan 8.380 nan 0.000 0.476 729 V N 0.940 120.637 119.914 -0.362 0.000 2.709 729 V HA 0.510 4.620 4.120 -0.017 0.000 0.308 729 V C -0.555 175.552 176.094 0.022 0.000 1.062 729 V CA -0.728 61.494 62.300 -0.129 0.000 0.901 729 V CB 2.307 34.078 31.823 -0.087 0.000 1.003 729 V HN 0.359 nan 8.190 nan 0.000 0.425 730 V N 3.652 123.690 119.914 0.205 0.000 2.588 730 V HA 0.754 4.864 4.120 -0.017 0.000 0.304 730 V C -0.145 176.021 176.094 0.120 0.000 1.042 730 V CA -0.323 62.112 62.300 0.226 0.000 0.877 730 V CB 2.325 34.393 31.823 0.407 0.000 0.996 730 V HN 1.033 nan 8.190 nan 0.000 0.425 731 S N 2.913 118.598 115.700 -0.025 0.000 2.568 731 S HA 1.019 5.479 4.470 -0.017 0.000 0.293 731 S C -0.274 174.092 174.600 -0.390 0.000 1.089 731 S CA -0.145 57.918 58.200 -0.229 0.000 0.945 731 S CB 2.377 65.460 63.200 -0.194 0.000 1.077 731 S HN 1.393 nan 8.310 nan 0.000 0.485 732 G N 0.089 108.365 108.800 -0.873 0.000 2.548 732 G HA2 0.561 4.511 3.960 -0.017 0.000 0.301 732 G HA3 0.561 4.511 3.960 -0.017 0.000 0.301 732 G C -2.119 172.434 174.900 -0.578 0.000 1.349 732 G CA -0.710 43.986 45.100 -0.673 0.000 0.792 732 G HN 0.877 nan 8.290 nan 0.000 0.481 733 E N -1.212 118.948 120.200 -0.067 0.000 2.343 733 E HA 0.718 5.058 4.350 -0.017 0.000 0.270 733 E C -1.959 174.855 176.600 0.357 0.000 0.895 733 E CA -0.760 55.738 56.400 0.163 0.000 0.767 733 E CB 2.644 32.414 29.700 0.118 0.000 1.248 733 E HN 0.482 nan 8.360 nan 0.000 0.440 734 L N 3.430 124.900 121.223 0.411 0.000 2.472 734 L HA 0.515 4.845 4.340 -0.017 0.000 0.260 734 L C -2.153 174.992 176.870 0.458 0.000 0.963 734 L CA -0.565 54.526 54.840 0.418 0.000 0.829 734 L CB 1.872 44.157 42.059 0.376 0.000 1.348 734 L HN 0.650 nan 8.230 nan 0.000 0.408 735 Y N 4.724 125.216 120.300 0.320 0.000 2.462 735 Y HA 0.732 5.271 4.550 -0.017 0.000 0.346 735 Y C -1.379 174.698 175.900 0.295 0.000 0.976 735 Y CA -0.874 57.402 58.100 0.293 0.000 1.044 735 Y CB 1.764 40.357 38.460 0.221 0.000 1.230 735 Y HN 0.628 nan 8.280 nan 0.000 0.455 736 I N 5.711 126.049 120.570 -0.387 0.000 2.439 736 I HA 0.643 4.803 4.170 -0.017 0.000 0.285 736 I C 0.049 175.770 176.117 -0.658 0.000 1.021 736 I CA -0.519 60.552 61.300 -0.382 0.000 1.091 736 I CB 0.937 38.786 38.000 -0.252 0.000 1.242 736 I HN 0.847 nan 8.210 nan 0.000 0.439 737 G N 4.455 113.032 108.800 -0.371 0.000 2.636 737 G HA2 0.435 4.385 3.960 -0.017 0.000 0.246 737 G HA3 0.435 4.385 3.960 -0.017 0.000 0.246 737 G C 0.373 175.204 174.900 -0.116 0.000 1.216 737 G CA 0.065 45.091 45.100 -0.124 0.000 0.854 737 G HN 0.841 nan 8.290 nan 0.000 0.572 738 G N -1.455 107.356 108.800 0.019 0.000 2.485 738 G HA2 0.505 4.454 3.960 -0.017 0.000 0.260 738 G HA3 0.505 4.454 3.960 -0.017 0.000 0.260 738 G C -0.257 174.626 174.900 -0.029 0.000 1.459 738 G CA -0.225 44.877 45.100 0.003 0.000 1.060 738 G HN 0.726 nan 8.290 nan 0.000 0.546 739 Q N -1.255 118.541 119.800 -0.006 0.000 2.443 739 Q HA 0.218 4.548 4.340 -0.017 0.000 0.258 739 Q C -2.208 173.881 176.000 0.148 0.000 0.967 739 Q CA -0.602 55.210 55.803 0.014 0.000 0.951 739 Q CB 2.242 30.741 28.738 -0.398 0.000 1.459 739 Q HN 0.615 nan 8.270 nan 0.000 0.415 740 D N 0.161 120.638 120.400 0.130 0.000 2.256 740 D HA 0.194 4.824 4.640 -0.017 0.000 0.250 740 D C 0.614 176.983 176.300 0.115 0.000 1.093 740 D CA 0.074 54.056 54.000 -0.030 0.000 0.882 740 D CB 0.901 41.457 40.800 -0.406 0.000 1.185 740 D HN 0.567 nan 8.370 nan 0.000 0.437 741 H N 3.008 122.010 119.070 -0.113 0.000 2.352 741 H HA -0.047 4.499 4.556 -0.016 0.000 0.299 741 H C 0.582 175.711 175.328 -0.332 0.000 1.097 741 H CA 1.208 56.938 56.048 -0.529 0.000 1.311 741 H CB -0.234 29.070 29.762 -0.763 0.000 1.377 741 H HN 0.539 nan 8.280 nan 0.000 0.504 742 F N 0.242 119.908 119.950 -0.474 0.000 3.079 742 F HA -0.287 4.230 4.527 -0.016 0.000 0.274 742 F C -0.606 175.110 175.800 -0.140 0.000 0.940 742 F CA -0.492 57.346 58.000 -0.270 0.000 0.932 742 F CB -1.729 37.257 39.000 -0.025 0.000 0.891 742 F HN 0.156 nan 8.300 nan 0.000 0.722 743 Y N -0.827 119.654 120.300 0.301 0.000 2.811 743 Y HA 0.042 4.583 4.550 -0.016 0.000 0.334 743 Y C 1.110 177.091 175.900 0.134 0.000 1.247 743 Y CA -0.867 57.427 58.100 0.323 0.000 1.526 743 Y CB 0.002 38.541 38.460 0.133 0.000 1.284 743 Y HN 0.087 nan 8.280 nan 0.000 0.586 744 L N 1.167 122.590 121.223 0.333 0.000 2.141 744 L HA -0.057 4.273 4.340 -0.017 0.000 0.209 744 L C 1.063 177.983 176.870 0.082 0.000 1.094 744 L CA 1.317 56.269 54.840 0.187 0.000 0.763 744 L CB -0.649 41.499 42.059 0.148 0.000 0.908 744 L HN 0.861 nan 8.230 nan 0.000 0.437 745 E N 0.781 121.010 120.200 0.049 0.000 2.130 745 E HA 0.144 4.484 4.350 -0.017 0.000 0.284 745 E C 0.008 176.578 176.600 -0.050 0.000 1.018 745 E CA -0.275 56.095 56.400 -0.050 0.000 0.817 745 E CB 0.974 30.593 29.700 -0.135 0.000 1.078 745 E HN 0.242 nan 8.360 nan 0.000 0.396 746 T N 1.518 116.061 114.554 -0.018 0.000 2.689 746 T HA 0.111 4.451 4.350 -0.017 0.000 0.308 746 T C 0.610 175.187 174.700 -0.204 0.000 1.021 746 T CA -0.543 61.544 62.100 -0.021 0.000 0.973 746 T CB 0.367 69.288 68.868 0.088 0.000 1.113 746 T HN 0.441 nan 8.240 nan 0.000 0.522 747 H N -0.982 117.994 119.070 -0.156 0.000 2.815 747 H HA 0.369 4.915 4.556 -0.017 0.000 0.350 747 H C -0.166 175.131 175.328 -0.051 0.000 1.080 747 H CA 0.022 55.982 56.048 -0.147 0.000 1.433 747 H CB 0.654 30.363 29.762 -0.088 0.000 1.432 747 H HN 0.681 nan 8.280 nan 0.000 0.592 748 C N 3.035 122.374 119.300 0.066 0.000 2.891 748 C HA 0.433 4.883 4.460 -0.017 0.000 0.342 748 C C -0.647 174.389 174.990 0.077 0.000 1.126 748 C CA -0.174 58.887 59.018 0.072 0.000 1.322 748 C CB 1.285 29.055 27.740 0.051 0.000 1.763 748 C HN 0.880 nan 8.230 nan 0.000 0.491 749 T N 5.610 120.216 114.554 0.088 0.000 2.952 749 T HA 0.577 4.917 4.350 -0.017 0.000 0.305 749 T C -1.065 173.696 174.700 0.102 0.000 1.064 749 T CA -0.213 61.942 62.100 0.093 0.000 1.008 749 T CB 1.170 70.083 68.868 0.075 0.000 1.078 749 T HN 0.580 nan 8.240 nan 0.000 0.459 750 I N 2.273 122.931 120.570 0.146 0.000 2.404 750 I HA 0.722 4.882 4.170 -0.017 0.000 0.293 750 I C -0.029 176.198 176.117 0.184 0.000 0.992 750 I CA -0.931 60.466 61.300 0.162 0.000 1.149 750 I CB 1.641 39.769 38.000 0.213 0.000 1.315 750 I HN 0.687 nan 8.210 nan 0.000 0.446 751 A N 7.687 130.583 122.820 0.127 0.000 2.330 751 A HA 0.817 5.126 4.320 -0.017 0.000 0.313 751 A C -0.742 176.903 177.584 0.101 0.000 1.124 751 A CA -0.439 51.657 52.037 0.099 0.000 0.774 751 A CB 0.764 19.802 19.000 0.063 0.000 1.198 751 A HN 0.676 nan 8.150 nan 0.000 0.465 752 I N 4.559 125.187 120.570 0.096 0.000 2.390 752 I HA 0.326 4.486 4.170 -0.017 0.000 0.283 752 I C -2.341 173.782 176.117 0.009 0.000 1.016 752 I CA -2.098 59.240 61.300 0.063 0.000 1.151 752 I CB 2.198 40.277 38.000 0.132 0.000 1.293 752 I HN 0.415 nan 8.210 nan 0.000 0.458 753 P HA 0.196 nan 4.420 nan 0.000 0.281 753 P C -0.291 176.981 177.300 -0.046 0.000 1.252 753 P CA -0.500 62.596 63.100 -0.008 0.000 0.778 753 P CB 1.550 33.252 31.700 0.004 0.000 0.895 754 K N 2.170 122.551 120.400 -0.032 0.000 2.262 754 K HA 0.107 4.417 4.320 -0.017 0.000 0.200 754 K C 1.514 178.086 176.600 -0.048 0.000 1.049 754 K CA 0.986 57.245 56.287 -0.046 0.000 0.979 754 K CB -0.730 31.752 32.500 -0.029 0.000 0.773 754 K HN 0.826 nan 8.250 nan 0.000 0.474 755 G N 1.587 110.368 108.800 -0.032 0.000 2.175 755 G HA2 -0.243 3.707 3.960 -0.017 0.000 0.244 755 G HA3 -0.243 3.707 3.960 -0.017 0.000 0.244 755 G C -0.302 174.587 174.900 -0.020 0.000 0.982 755 G CA 0.006 45.086 45.100 -0.034 0.000 0.641 755 G HN 0.355 nan 8.290 nan 0.000 0.527 756 E N 0.397 120.590 120.200 -0.012 0.000 2.165 756 E HA 0.482 4.822 4.350 -0.017 0.000 0.266 756 E C 0.336 176.938 176.600 0.004 0.000 0.889 756 E CA -0.765 55.632 56.400 -0.005 0.000 0.756 756 E CB 0.912 30.606 29.700 -0.009 0.000 1.131 756 E HN 0.170 nan 8.360 nan 0.000 0.411 757 E N 1.510 121.716 120.200 0.010 0.000 2.883 757 E HA -0.281 4.058 4.350 -0.017 0.000 0.271 757 E C 0.697 177.310 176.600 0.021 0.000 1.049 757 E CA 1.167 57.575 56.400 0.013 0.000 0.817 757 E CB -1.378 28.325 29.700 0.005 0.000 1.407 757 E HN 1.130 nan 8.360 nan 0.000 0.434 758 G N 0.076 108.899 108.800 0.037 0.000 2.179 758 G HA2 -0.357 3.593 3.960 -0.017 0.000 0.260 758 G HA3 -0.357 3.593 3.960 -0.017 0.000 0.260 758 G C 0.099 175.019 174.900 0.034 0.000 0.977 758 G CA 0.540 45.672 45.100 0.052 0.000 0.641 758 G HN 0.365 nan 8.290 nan 0.000 0.533 759 E N -0.104 120.106 120.200 0.017 0.000 2.452 759 E HA 0.406 4.746 4.350 -0.017 0.000 0.261 759 E C 0.329 176.932 176.600 0.004 0.000 0.987 759 E CA 0.598 56.999 56.400 0.003 0.000 0.926 759 E CB 0.549 30.246 29.700 -0.005 0.000 0.934 759 E HN 0.477 nan 8.360 nan 0.000 0.452 760 M N 2.628 122.224 119.600 -0.008 0.000 2.371 760 M HA 0.227 4.697 4.480 -0.017 0.000 0.287 760 M C -1.627 174.648 176.300 -0.043 0.000 1.149 760 M CA -0.452 54.842 55.300 -0.010 0.000 0.929 760 M CB 2.150 34.755 32.600 0.007 0.000 1.683 760 M HN 0.409 nan 8.290 nan 0.000 0.470 761 E N 3.874 124.040 120.200 -0.057 0.000 2.176 761 E HA 0.630 4.970 4.350 -0.017 0.000 0.267 761 E C -2.074 174.414 176.600 -0.186 0.000 0.893 761 E CA -0.626 55.686 56.400 -0.146 0.000 0.761 761 E CB 1.479 31.097 29.700 -0.138 0.000 1.133 761 E HN 0.593 nan 8.360 nan 0.000 0.409 762 L N 4.229 125.282 121.223 -0.283 0.000 2.362 762 L HA 0.510 4.840 4.340 -0.017 0.000 0.271 762 L C -1.087 175.545 176.870 -0.397 0.000 1.002 762 L CA -0.478 54.243 54.840 -0.197 0.000 0.818 762 L CB 1.279 43.292 42.059 -0.075 0.000 1.298 762 L HN 0.506 nan 8.230 nan 0.000 0.420 763 F N 2.287 122.246 119.950 0.016 0.000 2.402 763 F HA 0.721 5.238 4.527 -0.017 0.000 0.355 763 F C -0.143 175.660 175.800 0.005 0.000 1.123 763 F CA -0.887 57.117 58.000 0.008 0.000 1.021 763 F CB 1.634 40.641 39.000 0.013 0.000 1.160 763 F HN 0.020 nan 8.300 nan 0.000 0.451 764 V N 1.521 121.506 119.914 0.118 0.000 2.760 764 V HA 0.327 4.437 4.120 -0.017 0.000 0.309 764 V C -0.275 175.836 176.094 0.029 0.000 1.077 764 V CA -1.031 61.306 62.300 0.062 0.000 0.910 764 V CB 2.104 33.937 31.823 0.016 0.000 1.008 764 V HN 0.679 nan 8.190 nan 0.000 0.424 765 S N 2.854 118.557 115.700 0.005 0.000 3.072 765 S HA 0.415 4.875 4.470 -0.017 0.000 0.306 765 S C -0.081 174.457 174.600 -0.103 0.000 1.207 765 S CA 0.045 58.210 58.200 -0.058 0.000 1.008 765 S CB -0.424 62.716 63.200 -0.101 0.000 1.390 765 S HN 0.962 nan 8.310 nan 0.000 0.523 766 T N 3.048 117.555 114.554 -0.079 0.000 2.916 766 T HA 0.354 4.694 4.350 -0.017 0.000 0.305 766 T C 0.383 175.037 174.700 -0.077 0.000 1.119 766 T CA -0.559 61.495 62.100 -0.078 0.000 1.008 766 T CB 1.665 70.506 68.868 -0.045 0.000 1.129 766 T HN 0.534 nan 8.240 nan 0.000 0.480 767 Q N 1.747 121.506 119.800 -0.068 0.000 2.403 767 Q HA 0.225 4.555 4.340 -0.017 0.000 0.203 767 Q C 0.158 176.148 176.000 -0.016 0.000 0.932 767 Q CA 0.112 55.891 55.803 -0.040 0.000 0.945 767 Q CB 0.267 28.993 28.738 -0.020 0.000 1.045 767 Q HN 0.321 nan 8.270 nan 0.000 0.511 768 N N -0.201 118.477 118.700 -0.037 0.000 2.752 768 N HA 0.262 4.992 4.740 -0.017 0.000 0.260 768 N C -0.245 175.215 175.510 -0.084 0.000 1.562 768 N CA -0.028 52.991 53.050 -0.051 0.000 0.788 768 N CB 0.852 39.300 38.487 -0.066 0.000 1.192 768 N HN 0.092 nan 8.380 nan 0.000 0.503 769 A N 2.378 125.158 122.820 -0.067 0.000 1.940 769 A HA -0.172 4.138 4.320 -0.017 0.000 0.219 769 A C 2.139 179.670 177.584 -0.089 0.000 1.176 769 A CA 1.260 53.252 52.037 -0.075 0.000 0.631 769 A CB -0.341 18.620 19.000 -0.066 0.000 0.814 769 A HN 0.661 nan 8.150 nan 0.000 0.446 770 M N -0.932 118.620 119.600 -0.079 0.000 2.065 770 M HA -0.192 4.278 4.480 -0.017 0.000 0.259 770 M C 1.835 178.043 176.300 -0.153 0.000 1.069 770 M CA 1.991 57.240 55.300 -0.085 0.000 1.110 770 M CB -0.160 32.408 32.600 -0.054 0.000 1.328 770 M HN 0.156 nan 8.290 nan 0.000 0.405 771 K N -0.312 119.940 120.400 -0.246 0.000 2.103 771 K HA -0.042 4.268 4.320 -0.017 0.000 0.204 771 K C 1.905 178.177 176.600 -0.546 0.000 1.052 771 K CA 1.779 57.754 56.287 -0.520 0.000 0.945 771 K CB -0.779 31.296 32.500 -0.709 0.000 0.722 771 K HN 0.449 nan 8.250 nan 0.000 0.443 772 T N 1.810 116.181 114.554 -0.306 0.000 2.652 772 T HA -0.217 4.123 4.350 -0.017 0.000 0.267 772 T C 1.928 176.575 174.700 -0.088 0.000 1.039 772 T CA 1.549 63.550 62.100 -0.165 0.000 1.153 772 T CB -0.127 68.682 68.868 -0.099 0.000 0.863 772 T HN 0.353 nan 8.240 nan 0.000 0.428 773 Q N 0.457 120.204 119.800 -0.089 0.000 2.061 773 Q HA -0.132 4.198 4.340 -0.017 0.000 0.204 773 Q C 2.516 178.509 176.000 -0.012 0.000 0.984 773 Q CA 1.690 57.464 55.803 -0.049 0.000 0.846 773 Q CB -0.185 28.520 28.738 -0.055 0.000 0.902 773 Q HN 0.417 nan 8.270 nan 0.000 0.421 774 S N 0.073 115.764 115.700 -0.015 0.000 2.368 774 S HA -0.093 4.367 4.470 -0.017 0.000 0.225 774 S C 1.549 176.281 174.600 0.220 0.000 1.030 774 S CA 0.962 59.205 58.200 0.072 0.000 0.999 774 S CB -0.259 62.981 63.200 0.066 0.000 0.844 774 S HN 0.347 nan 8.310 nan 0.000 0.459 775 F N 1.381 121.301 119.950 -0.050 0.000 2.146 775 F HA 0.006 4.523 4.527 -0.017 0.000 0.298 775 F C 2.421 178.180 175.800 -0.067 0.000 1.096 775 F CA -0.223 57.742 58.000 -0.057 0.000 1.275 775 F CB -1.383 37.586 39.000 -0.052 0.000 1.008 775 F HN -0.001 nan 8.300 nan 0.000 0.480 776 V N 0.231 120.227 119.914 0.136 0.000 2.287 776 V HA -0.312 3.798 4.120 -0.017 0.000 0.248 776 V C 2.674 178.768 176.094 -0.000 0.000 1.053 776 V CA 1.830 64.152 62.300 0.037 0.000 1.027 776 V CB -1.458 30.374 31.823 0.014 0.000 0.646 776 V HN 0.320 nan 8.190 nan 0.000 0.447 777 A N -0.406 122.421 122.820 0.010 0.000 1.883 777 A HA -0.287 4.023 4.320 -0.017 0.000 0.217 777 A C 2.360 179.926 177.584 -0.030 0.000 1.186 777 A CA 2.275 54.304 52.037 -0.014 0.000 0.624 777 A CB -0.537 18.460 19.000 -0.005 0.000 0.822 777 A HN 0.520 nan 8.150 nan 0.000 0.444 778 K N -1.065 119.328 120.400 -0.011 0.000 2.063 778 K HA -0.172 4.138 4.320 -0.017 0.000 0.208 778 K C 2.158 178.709 176.600 -0.081 0.000 1.048 778 K CA 1.709 57.970 56.287 -0.043 0.000 0.928 778 K CB -0.229 32.243 32.500 -0.046 0.000 0.713 778 K HN 0.480 nan 8.250 nan 0.000 0.442 779 M N 1.129 120.676 119.600 -0.089 0.000 2.132 779 M HA -0.128 4.342 4.480 -0.017 0.000 0.263 779 M C 1.728 177.936 176.300 -0.153 0.000 1.065 779 M CA 1.549 56.777 55.300 -0.121 0.000 1.122 779 M CB -0.439 32.086 32.600 -0.126 0.000 1.365 779 M HN 0.204 nan 8.290 nan 0.000 0.411 780 L N 0.157 121.281 121.223 -0.165 0.000 2.275 780 L HA 0.014 4.344 4.340 -0.017 0.000 0.215 780 L C 1.434 178.176 176.870 -0.212 0.000 1.119 780 L CA 0.694 55.378 54.840 -0.259 0.000 0.790 780 L CB -0.979 40.955 42.059 -0.209 0.000 0.919 780 L HN 0.654 nan 8.230 nan 0.000 0.443 781 G N 0.886 109.608 108.800 -0.129 0.000 2.198 781 G HA2 -0.229 3.721 3.960 -0.017 0.000 0.257 781 G HA3 -0.229 3.721 3.960 -0.017 0.000 0.257 781 G C 0.130 174.990 174.900 -0.067 0.000 1.042 781 G CA 0.321 45.368 45.100 -0.089 0.000 0.791 781 G HN 0.312 nan 8.290 nan 0.000 0.502 782 V N -3.514 116.363 119.914 -0.061 0.000 2.881 782 V HA 0.945 5.055 4.120 -0.017 0.000 0.316 782 V C -1.848 174.229 176.094 -0.028 0.000 1.070 782 V CA -2.881 59.396 62.300 -0.038 0.000 0.976 782 V CB 1.786 33.591 31.823 -0.030 0.000 1.038 782 V HN 0.044 nan 8.190 nan 0.000 0.446 783 P HA 0.225 nan 4.420 nan 0.000 0.269 783 P C 1.019 178.309 177.300 -0.018 0.000 1.215 783 P CA -0.142 62.947 63.100 -0.018 0.000 0.780 783 P CB 0.787 32.477 31.700 -0.016 0.000 0.898 784 V N 1.573 121.477 119.914 -0.017 0.000 2.469 784 V HA -0.268 3.842 4.120 -0.017 0.000 0.251 784 V C 1.937 178.020 176.094 -0.019 0.000 1.064 784 V CA 2.344 64.635 62.300 -0.017 0.000 1.066 784 V CB -1.405 30.408 31.823 -0.016 0.000 0.667 784 V HN 0.697 nan 8.190 nan 0.000 0.461 785 N N 0.639 119.328 118.700 -0.018 0.000 2.585 785 N HA -0.182 4.548 4.740 -0.017 0.000 0.188 785 N C 1.546 177.046 175.510 -0.017 0.000 1.102 785 N CA 0.928 53.968 53.050 -0.017 0.000 0.920 785 N CB -0.423 38.055 38.487 -0.015 0.000 0.963 785 N HN 0.310 nan 8.380 nan 0.000 0.447 786 R N -0.134 120.356 120.500 -0.017 0.000 2.275 786 R HA 0.211 4.541 4.340 -0.017 0.000 0.199 786 R C -0.036 176.252 176.300 -0.020 0.000 0.989 786 R CA 0.086 56.177 56.100 -0.015 0.000 1.016 786 R CB 0.128 30.422 30.300 -0.009 0.000 0.918 786 R HN 0.281 nan 8.270 nan 0.000 0.473 787 I N 1.838 122.392 120.570 -0.027 0.000 2.378 787 I HA 0.244 4.404 4.170 -0.017 0.000 0.291 787 I C -0.422 175.664 176.117 -0.051 0.000 0.992 787 I CA -1.637 59.641 61.300 -0.036 0.000 1.154 787 I CB 1.454 39.436 38.000 -0.031 0.000 1.315 787 I HN -0.166 nan 8.210 nan 0.000 0.448 788 L N 8.499 129.678 121.223 -0.074 0.000 2.305 788 L HA 0.615 4.945 4.340 -0.017 0.000 0.284 788 L C -0.843 175.940 176.870 -0.144 0.000 1.013 788 L CA -0.382 54.399 54.840 -0.099 0.000 0.819 788 L CB 1.679 43.675 42.059 -0.105 0.000 1.227 788 L HN 0.277 nan 8.230 nan 0.000 0.417 789 V N 5.998 125.832 119.914 -0.132 0.000 2.448 789 V HA 0.624 4.734 4.120 -0.017 0.000 0.295 789 V C -0.091 175.907 176.094 -0.160 0.000 1.025 789 V CA -0.622 61.588 62.300 -0.150 0.000 0.859 789 V CB 1.659 33.421 31.823 -0.101 0.000 0.988 789 V HN 0.722 nan 8.190 nan 0.000 0.431 790 R N 3.198 123.570 120.500 -0.213 0.000 2.534 790 R HA 0.801 5.131 4.340 -0.017 0.000 0.301 790 R C -1.612 174.660 176.300 -0.048 0.000 0.961 790 R CA -0.683 55.324 56.100 -0.154 0.000 0.871 790 R CB 2.461 32.611 30.300 -0.251 0.000 1.170 790 R HN 0.502 nan 8.270 nan 0.000 0.446 791 V N 3.581 123.483 119.914 -0.021 0.000 2.419 791 V HA 0.140 4.250 4.120 -0.017 0.000 0.287 791 V C 0.494 176.595 176.094 0.011 0.000 1.017 791 V CA -0.725 61.577 62.300 0.003 0.000 0.844 791 V CB 1.389 33.194 31.823 -0.030 0.000 1.011 791 V HN 0.726 nan 8.190 nan 0.000 0.429 792 K N 5.035 125.455 120.400 0.033 0.000 2.005 792 K HA 0.188 4.498 4.320 -0.017 0.000 0.206 792 K C 0.750 177.347 176.600 -0.005 0.000 1.044 792 K CA 1.294 57.588 56.287 0.012 0.000 0.942 792 K CB 0.289 32.789 32.500 -0.000 0.000 0.727 792 K HN 0.795 nan 8.250 nan 0.000 0.439 793 R N -1.441 119.035 120.500 -0.040 0.000 2.712 793 R HA 0.403 4.733 4.340 -0.017 0.000 0.272 793 R C -1.351 174.942 176.300 -0.011 0.000 1.032 793 R CA -0.857 55.210 56.100 -0.055 0.000 0.874 793 R CB 0.725 30.949 30.300 -0.126 0.000 1.256 793 R HN -0.008 nan 8.270 nan 0.000 0.468 794 M N 0.707 120.311 119.600 0.006 0.000 2.456 794 M HA 0.396 4.866 4.480 -0.017 0.000 0.324 794 M C 0.507 176.886 176.300 0.131 0.000 1.124 794 M CA -0.695 54.623 55.300 0.030 0.000 0.959 794 M CB 2.392 34.927 32.600 -0.108 0.000 1.692 794 M HN 0.930 nan 8.290 nan 0.000 0.444 795 G N 1.782 110.669 108.800 0.146 0.000 3.316 795 G HA2 0.483 4.433 3.960 -0.017 0.000 0.255 795 G HA3 0.483 4.433 3.960 -0.017 0.000 0.255 795 G C 0.377 175.275 174.900 -0.004 0.000 0.880 795 G CA 0.271 45.394 45.100 0.038 0.000 1.956 795 G HN 1.103 nan 8.290 nan 0.000 0.634 796 G N -1.125 107.621 108.800 -0.091 0.000 2.719 796 G HA2 0.338 4.288 3.960 -0.017 0.000 0.686 796 G HA3 0.338 4.288 3.960 -0.017 0.000 0.686 796 G C 0.564 175.247 174.900 -0.361 0.000 1.201 796 G CA -0.338 44.574 45.100 -0.313 0.000 0.768 796 G HN 1.203 nan 8.290 nan 0.000 0.629 797 G N -0.553 107.864 108.800 -0.639 0.000 2.645 797 G HA2 0.539 4.489 3.960 -0.017 0.000 0.208 797 G HA3 0.539 4.489 3.960 -0.017 0.000 0.208 797 G C 0.876 175.711 174.900 -0.108 0.000 1.264 797 G CA 0.825 45.730 45.100 -0.325 0.000 0.586 797 G HN 1.707 nan 8.290 nan 0.000 0.952 798 F N 0.811 120.797 119.950 0.060 0.000 3.069 798 F HA -0.207 4.310 4.527 -0.016 0.000 0.285 798 F C 1.965 177.806 175.800 0.067 0.000 0.827 798 F CA 0.906 58.939 58.000 0.055 0.000 1.108 798 F CB -1.450 37.537 39.000 -0.021 0.000 1.252 798 F HN 1.074 nan 8.300 nan 0.000 0.483 799 G N -1.054 107.836 108.800 0.149 0.000 2.258 799 G HA2 -0.217 3.733 3.960 -0.017 0.000 0.233 799 G HA3 -0.217 3.733 3.960 -0.017 0.000 0.233 799 G C 1.121 176.056 174.900 0.058 0.000 1.006 799 G CA 0.097 45.316 45.100 0.199 0.000 0.620 799 G HN 1.212 nan 8.290 nan 0.000 0.511 800 G N 0.055 108.645 108.800 -0.351 0.000 2.598 800 G HA2 0.201 4.151 3.960 -0.017 0.000 0.215 800 G HA3 0.201 4.151 3.960 -0.017 0.000 0.215 800 G C 1.153 175.983 174.900 -0.117 0.000 1.131 800 G CA 1.325 45.998 45.100 -0.713 0.000 0.785 800 G HN 0.522 nan 8.290 nan 0.000 0.539 801 K N -0.219 120.112 120.400 -0.115 0.000 2.455 801 K HA 0.192 4.501 4.320 -0.017 0.000 0.206 801 K C 1.377 177.976 176.600 -0.002 0.000 1.027 801 K CA -0.128 56.114 56.287 -0.075 0.000 1.113 801 K CB 0.711 33.040 32.500 -0.284 0.000 0.850 801 K HN 0.325 nan 8.250 nan 0.000 0.503 802 E N 0.707 120.938 120.200 0.052 0.000 2.112 802 E HA -0.115 4.225 4.350 -0.017 0.000 0.190 802 E C 1.274 177.917 176.600 0.071 0.000 0.979 802 E CA 1.709 58.159 56.400 0.083 0.000 0.814 802 E CB 0.463 30.262 29.700 0.166 0.000 0.762 802 E HN 0.284 nan 8.360 nan 0.000 0.460 803 T N -3.008 111.607 114.554 0.100 0.000 3.168 803 T HA 0.198 4.538 4.350 -0.017 0.000 0.261 803 T C 1.594 176.352 174.700 0.097 0.000 0.931 803 T CA -0.581 61.569 62.100 0.083 0.000 0.949 803 T CB -0.076 68.880 68.868 0.146 0.000 1.229 803 T HN -0.095 nan 8.240 nan 0.000 0.504 804 R N 2.675 123.245 120.500 0.117 0.000 2.280 804 R HA 0.167 4.497 4.340 -0.017 0.000 0.207 804 R C 2.590 178.866 176.300 -0.041 0.000 1.043 804 R CA 1.123 57.259 56.100 0.061 0.000 1.006 804 R CB -1.088 29.248 30.300 0.061 0.000 0.885 804 R HN 0.734 nan 8.270 nan 0.000 0.467 805 S N 0.336 116.090 115.700 0.090 0.000 2.442 805 S HA -0.153 4.307 4.470 -0.017 0.000 0.236 805 S C 1.922 176.544 174.600 0.037 0.000 1.007 805 S CA 1.569 59.848 58.200 0.131 0.000 0.965 805 S CB -0.642 62.667 63.200 0.182 0.000 0.773 805 S HN 0.464 nan 8.310 nan 0.000 0.504 806 T N 0.773 115.354 114.554 0.045 0.000 2.962 806 T HA 0.139 4.479 4.350 -0.017 0.000 0.270 806 T C 1.719 176.452 174.700 0.055 0.000 1.088 806 T CA 0.707 62.857 62.100 0.083 0.000 1.127 806 T CB -0.800 68.204 68.868 0.226 0.000 0.883 806 T HN 0.400 nan 8.240 nan 0.000 0.493 807 L N 0.596 121.826 121.223 0.011 0.000 2.013 807 L HA -0.100 4.230 4.340 -0.017 0.000 0.212 807 L C 2.881 179.737 176.870 -0.023 0.000 1.073 807 L CA 1.271 56.099 54.840 -0.020 0.000 0.753 807 L CB -0.723 41.311 42.059 -0.040 0.000 0.890 807 L HN 0.225 nan 8.230 nan 0.000 0.432 808 V N -1.459 118.441 119.914 -0.023 0.000 2.346 808 V HA -0.167 3.943 4.120 -0.017 0.000 0.244 808 V C 2.512 178.624 176.094 0.029 0.000 1.037 808 V CA 1.647 63.958 62.300 0.019 0.000 1.029 808 V CB -0.100 31.746 31.823 0.038 0.000 0.663 808 V HN 0.323 nan 8.190 nan 0.000 0.454 809 S N 0.371 116.090 115.700 0.031 0.000 2.370 809 S HA -0.188 4.272 4.470 -0.017 0.000 0.226 809 S C 2.012 176.623 174.600 0.020 0.000 1.033 809 S CA 1.700 59.920 58.200 0.033 0.000 1.011 809 S CB -0.290 62.928 63.200 0.030 0.000 0.852 809 S HN 0.377 nan 8.310 nan 0.000 0.457 810 V N 1.821 121.736 119.914 0.002 0.000 2.379 810 V HA -0.127 3.983 4.120 -0.017 0.000 0.245 810 V C 2.628 178.679 176.094 -0.073 0.000 1.044 810 V CA 1.468 63.746 62.300 -0.036 0.000 1.036 810 V CB -1.262 30.525 31.823 -0.060 0.000 0.664 810 V HN 0.527 nan 8.190 nan 0.000 0.453 811 A N 0.193 122.963 122.820 -0.084 0.000 1.865 811 A HA -0.191 4.119 4.320 -0.017 0.000 0.217 811 A C 2.396 180.027 177.584 0.078 0.000 1.191 811 A CA 2.358 54.392 52.037 -0.005 0.000 0.623 811 A CB -0.826 18.219 19.000 0.074 0.000 0.826 811 A HN 0.333 nan 8.150 nan 0.000 0.444 812 V N -0.110 119.842 119.914 0.062 0.000 2.343 812 V HA -0.249 3.861 4.120 -0.017 0.000 0.247 812 V C 3.052 179.183 176.094 0.061 0.000 1.051 812 V CA 1.931 64.270 62.300 0.065 0.000 1.036 812 V CB -1.375 30.484 31.823 0.060 0.000 0.654 812 V HN 0.637 nan 8.190 nan 0.000 0.451 813 A N -0.015 122.833 122.820 0.048 0.000 1.908 813 A HA -0.232 4.078 4.320 -0.017 0.000 0.218 813 A C 2.188 179.822 177.584 0.084 0.000 1.181 813 A CA 2.262 54.330 52.037 0.051 0.000 0.627 813 A CB -0.585 18.429 19.000 0.023 0.000 0.818 813 A HN 0.480 nan 8.150 nan 0.000 0.445 814 L N -0.366 120.903 121.223 0.076 0.000 2.056 814 L HA -0.019 4.311 4.340 -0.017 0.000 0.207 814 L C 2.653 179.627 176.870 0.174 0.000 1.078 814 L CA 2.183 57.100 54.840 0.130 0.000 0.749 814 L CB -0.783 41.352 42.059 0.125 0.000 0.901 814 L HN 0.329 nan 8.230 nan 0.000 0.433 815 A N -0.271 122.620 122.820 0.119 0.000 1.908 815 A HA -0.157 4.153 4.320 -0.017 0.000 0.218 815 A C 2.471 180.094 177.584 0.064 0.000 1.181 815 A CA 2.023 54.102 52.037 0.071 0.000 0.627 815 A CB -1.261 17.765 19.000 0.043 0.000 0.818 815 A HN 0.605 nan 8.150 nan 0.000 0.445 816 A N -1.310 121.559 122.820 0.080 0.000 1.877 816 A HA -0.125 4.185 4.320 -0.017 0.000 0.216 816 A C 2.168 179.803 177.584 0.085 0.000 1.186 816 A CA 1.762 53.843 52.037 0.073 0.000 0.620 816 A CB -0.916 18.127 19.000 0.072 0.000 0.822 816 A HN 0.834 nan 8.150 nan 0.000 0.443 817 Y N 0.428 120.735 120.300 0.012 0.000 2.128 817 Y HA -0.198 4.342 4.550 -0.017 0.000 0.284 817 Y C 2.355 178.263 175.900 0.012 0.000 1.154 817 Y CA 2.421 60.526 58.100 0.009 0.000 1.149 817 Y CB -0.159 38.306 38.460 0.008 0.000 0.976 817 Y HN 0.172 nan 8.280 nan 0.000 0.505 818 K N -0.217 120.154 120.400 -0.049 0.000 2.057 818 K HA -0.131 4.179 4.320 -0.017 0.000 0.206 818 K C 2.066 178.574 176.600 -0.154 0.000 1.050 818 K CA 1.992 58.188 56.287 -0.151 0.000 0.935 818 K CB -0.533 31.990 32.500 0.037 0.000 0.715 818 K HN 0.604 nan 8.250 nan 0.000 0.439 819 T N -3.545 110.966 114.554 -0.072 0.000 3.035 819 T HA 0.096 4.436 4.350 -0.017 0.000 0.259 819 T C 1.457 176.194 174.700 0.062 0.000 1.078 819 T CA 1.083 63.163 62.100 -0.033 0.000 1.132 819 T CB -0.020 68.808 68.868 -0.065 0.000 0.900 819 T HN 0.350 nan 8.240 nan 0.000 0.480 820 G N 1.075 109.879 108.800 0.006 0.000 2.189 820 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.267 820 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.267 820 G C -0.102 174.813 174.900 0.024 0.000 0.975 820 G CA 0.460 45.557 45.100 -0.005 0.000 0.644 820 G HN 0.776 nan 8.290 nan 0.000 0.537 821 H N 0.853 119.880 119.070 -0.072 0.000 2.502 821 H HA 0.545 5.091 4.556 -0.017 0.000 0.338 821 H C -2.157 173.132 175.328 -0.065 0.000 1.155 821 H CA -1.816 54.190 56.048 -0.070 0.000 1.237 821 H CB 1.013 30.742 29.762 -0.055 0.000 1.534 821 H HN 0.071 nan 8.280 nan 0.000 0.523 822 P HA 0.038 nan 4.420 nan 0.000 0.267 822 P C -0.845 176.467 177.300 0.020 0.000 1.200 822 P CA 0.139 63.260 63.100 0.035 0.000 0.772 822 P CB 0.649 32.391 31.700 0.070 0.000 0.855 823 V N 2.976 122.887 119.914 -0.006 0.000 2.971 823 V HA 0.632 4.742 4.120 -0.017 0.000 0.309 823 V C -0.016 176.034 176.094 -0.073 0.000 1.130 823 V CA -0.690 61.565 62.300 -0.075 0.000 0.964 823 V CB 2.321 34.130 31.823 -0.023 0.000 1.029 823 V HN 0.633 nan 8.190 nan 0.000 0.427 824 R N 1.740 122.143 120.500 -0.162 0.000 2.836 824 R HA 0.932 5.262 4.340 -0.017 0.000 0.269 824 R C -1.474 174.851 176.300 0.041 0.000 1.010 824 R CA -0.639 55.428 56.100 -0.055 0.000 0.930 824 R CB 1.868 32.125 30.300 -0.072 0.000 1.218 824 R HN 0.735 nan 8.270 nan 0.000 0.473 825 C N 2.885 122.244 119.300 0.098 0.000 2.642 825 C HA 0.623 5.073 4.460 -0.017 0.000 0.344 825 C C -0.975 174.094 174.990 0.131 0.000 1.110 825 C CA -0.604 58.499 59.018 0.142 0.000 1.298 825 C CB 1.321 29.134 27.740 0.122 0.000 1.827 825 C HN 0.997 nan 8.230 nan 0.000 0.467 826 M N 6.702 126.387 119.600 0.142 0.000 2.311 826 M HA 0.566 5.036 4.480 -0.017 0.000 0.325 826 M C -1.266 175.097 176.300 0.105 0.000 1.061 826 M CA -0.575 54.791 55.300 0.110 0.000 0.957 826 M CB 1.226 33.883 32.600 0.096 0.000 1.646 826 M HN 0.713 nan 8.290 nan 0.000 0.434 827 L N 3.882 125.168 121.223 0.105 0.000 2.426 827 L HA 0.199 4.528 4.340 -0.017 0.000 0.271 827 L C 0.216 177.135 176.870 0.080 0.000 1.169 827 L CA -0.344 54.558 54.840 0.103 0.000 0.836 827 L CB 0.339 42.473 42.059 0.125 0.000 1.112 827 L HN 0.664 nan 8.230 nan 0.000 0.465 828 D N 1.379 121.822 120.400 0.072 0.000 2.357 828 D HA 0.012 4.642 4.640 -0.017 0.000 0.242 828 D C 0.984 177.309 176.300 0.042 0.000 1.153 828 D CA -0.147 53.884 54.000 0.052 0.000 0.918 828 D CB 1.117 41.949 40.800 0.053 0.000 1.181 828 D HN 0.364 nan 8.370 nan 0.000 0.435 829 R N 1.753 122.259 120.500 0.009 0.000 2.113 829 R HA -0.219 4.111 4.340 -0.017 0.000 0.244 829 R C 1.793 178.086 176.300 -0.011 0.000 1.142 829 R CA 1.972 58.046 56.100 -0.044 0.000 0.953 829 R CB -0.189 30.071 30.300 -0.068 0.000 0.860 829 R HN 0.546 nan 8.270 nan 0.000 0.438 830 N N 0.377 119.092 118.700 0.026 0.000 2.166 830 N HA -0.202 4.528 4.740 -0.017 0.000 0.186 830 N C 1.142 176.682 175.510 0.050 0.000 1.019 830 N CA 1.898 54.972 53.050 0.041 0.000 0.856 830 N CB -0.391 38.130 38.487 0.057 0.000 0.993 830 N HN 0.486 nan 8.380 nan 0.000 0.426 831 E N 0.362 120.600 120.200 0.063 0.000 2.047 831 E HA -0.158 4.182 4.350 -0.017 0.000 0.191 831 E C 1.459 178.106 176.600 0.079 0.000 0.987 831 E CA 0.988 57.434 56.400 0.078 0.000 0.799 831 E CB -0.130 29.623 29.700 0.088 0.000 0.752 831 E HN 0.422 nan 8.360 nan 0.000 0.449 832 D N 0.805 121.258 120.400 0.087 0.000 2.097 832 D HA -0.162 4.468 4.640 -0.017 0.000 0.195 832 D C 2.052 178.415 176.300 0.105 0.000 0.989 832 D CA 1.171 55.253 54.000 0.137 0.000 0.827 832 D CB 0.059 40.973 40.800 0.190 0.000 0.966 832 D HN 0.138 nan 8.370 nan 0.000 0.456 833 M N -0.091 119.528 119.600 0.032 0.000 2.159 833 M HA -0.165 4.305 4.480 -0.017 0.000 0.263 833 M C 2.361 178.677 176.300 0.026 0.000 1.063 833 M CA 0.783 56.077 55.300 -0.010 0.000 1.110 833 M CB -0.162 32.394 32.600 -0.073 0.000 1.374 833 M HN 0.070 nan 8.290 nan 0.000 0.411 834 L N 0.433 121.682 121.223 0.044 0.000 2.095 834 L HA -0.027 4.303 4.340 -0.017 0.000 0.204 834 L C 1.961 178.881 176.870 0.082 0.000 1.080 834 L CA 1.745 56.622 54.840 0.062 0.000 0.759 834 L CB -0.161 41.936 42.059 0.063 0.000 0.914 834 L HN 0.183 nan 8.230 nan 0.000 0.439 835 I N -1.340 119.279 120.570 0.081 0.000 2.731 835 I HA -0.092 4.068 4.170 -0.017 0.000 0.260 835 I C 1.921 178.078 176.117 0.067 0.000 1.138 835 I CA 1.156 62.503 61.300 0.078 0.000 1.461 835 I CB -0.364 37.678 38.000 0.071 0.000 1.128 835 I HN 0.352 nan 8.210 nan 0.000 0.438 836 T N -1.386 113.215 114.554 0.077 0.000 3.129 836 T HA 0.413 4.753 4.350 -0.017 0.000 0.251 836 T C 0.966 175.759 174.700 0.154 0.000 1.117 836 T CA 0.271 62.413 62.100 0.069 0.000 1.034 836 T CB -0.120 68.775 68.868 0.045 0.000 0.968 836 T HN 0.501 nan 8.240 nan 0.000 0.526 837 G N -0.757 108.139 108.800 0.159 0.000 2.730 837 G HA2 0.376 4.326 3.960 -0.017 0.000 0.686 837 G HA3 0.376 4.326 3.960 -0.017 0.000 0.686 837 G C -0.156 174.906 174.900 0.269 0.000 1.343 837 G CA -0.581 44.624 45.100 0.175 0.000 0.826 837 G HN 1.110 nan 8.290 nan 0.000 0.582 838 G N -0.718 108.196 108.800 0.190 0.000 3.021 838 G HA2 0.796 4.746 3.960 -0.017 0.000 0.290 838 G HA3 0.796 4.746 3.960 -0.017 0.000 0.290 838 G C -0.014 174.986 174.900 0.167 0.000 1.291 838 G CA -0.035 45.143 45.100 0.131 0.000 0.834 838 G HN 0.900 nan 8.290 nan 0.000 0.564 839 R N 0.034 120.657 120.500 0.205 0.000 2.679 839 R HA 0.092 4.422 4.340 -0.017 0.000 0.268 839 R C -0.349 176.021 176.300 0.118 0.000 1.044 839 R CA -0.236 55.971 56.100 0.180 0.000 1.105 839 R CB 0.025 30.251 30.300 -0.123 0.000 0.989 839 R HN 0.599 nan 8.270 nan 0.000 0.447 840 H N 4.670 123.825 119.070 0.142 0.000 2.899 840 H HA 0.104 4.650 4.556 -0.017 0.000 0.303 840 H C -1.913 173.546 175.328 0.219 0.000 1.042 840 H CA -1.568 54.591 56.048 0.186 0.000 1.479 840 H CB 0.756 30.671 29.762 0.254 0.000 1.493 840 H HN 0.431 nan 8.280 nan 0.000 0.534 841 P HA -0.001 nan 4.420 nan 0.000 0.267 841 P C -0.671 176.779 177.300 0.249 0.000 1.200 841 P CA 0.622 63.784 63.100 0.104 0.000 0.772 841 P CB 0.414 32.193 31.700 0.130 0.000 0.855 842 F N 1.518 121.387 119.950 -0.134 0.000 2.551 842 F HA 0.501 5.018 4.527 -0.016 0.000 0.316 842 F C -0.270 175.590 175.800 0.100 0.000 1.089 842 F CA -1.052 56.985 58.000 0.062 0.000 0.915 842 F CB 1.733 40.800 39.000 0.112 0.000 1.186 842 F HN 0.082 nan 8.300 nan 0.000 0.456 843 L N 3.364 124.833 121.223 0.410 0.000 2.346 843 L HA 0.894 5.224 4.340 -0.017 0.000 0.276 843 L C -1.079 176.072 176.870 0.467 0.000 1.006 843 L CA -0.353 54.773 54.840 0.477 0.000 0.817 843 L CB 1.569 43.893 42.059 0.442 0.000 1.272 843 L HN 0.615 nan 8.230 nan 0.000 0.421 844 A N 5.008 128.077 122.820 0.415 0.000 2.371 844 A HA 0.857 5.167 4.320 -0.017 0.000 0.311 844 A C -0.799 176.989 177.584 0.340 0.000 1.068 844 A CA -0.706 51.527 52.037 0.326 0.000 0.744 844 A CB 1.054 20.216 19.000 0.269 0.000 1.239 844 A HN 0.733 nan 8.150 nan 0.000 0.435 845 R N 1.065 121.725 120.500 0.267 0.000 2.387 845 R HA 0.597 4.927 4.340 -0.017 0.000 0.314 845 R C -1.423 174.974 176.300 0.160 0.000 0.958 845 R CA -0.349 55.857 56.100 0.176 0.000 0.846 845 R CB 1.449 31.839 30.300 0.151 0.000 1.147 845 R HN 0.803 nan 8.270 nan 0.000 0.447 846 Y N -0.775 119.562 120.300 0.062 0.000 2.581 846 Y HA 0.667 5.207 4.550 -0.017 0.000 0.345 846 Y C -1.114 174.796 175.900 0.017 0.000 1.036 846 Y CA -1.364 56.755 58.100 0.032 0.000 1.042 846 Y CB 1.889 40.396 38.460 0.079 0.000 1.289 846 Y HN 0.321 nan 8.280 nan 0.000 0.471 847 K N 2.387 122.868 120.400 0.135 0.000 2.581 847 K HA 0.690 5.000 4.320 -0.017 0.000 0.249 847 K C -2.352 174.369 176.600 0.201 0.000 0.966 847 K CA -0.685 55.650 56.287 0.079 0.000 0.811 847 K CB 2.188 34.646 32.500 -0.071 0.000 1.223 847 K HN 0.733 nan 8.250 nan 0.000 0.438 848 V N 1.741 121.786 119.914 0.218 0.000 2.604 848 V HA 0.702 4.812 4.120 -0.017 0.000 0.305 848 V C 0.232 176.559 176.094 0.388 0.000 1.043 848 V CA -0.937 61.448 62.300 0.141 0.000 0.888 848 V CB 1.789 33.555 31.823 -0.095 0.000 0.995 848 V HN 0.860 nan 8.190 nan 0.000 0.429 849 G N 3.172 112.137 108.800 0.275 0.000 2.470 849 G HA2 0.826 4.776 3.960 -0.017 0.000 0.320 849 G HA3 0.826 4.776 3.960 -0.017 0.000 0.320 849 G C -1.201 173.765 174.900 0.111 0.000 1.245 849 G CA -0.467 44.729 45.100 0.160 0.000 0.935 849 G HN 0.799 nan 8.290 nan 0.000 0.476 850 F N 0.413 120.351 119.950 -0.021 0.000 2.662 850 F HA 0.747 5.264 4.527 -0.017 0.000 0.312 850 F C -0.510 175.279 175.800 -0.018 0.000 1.113 850 F CA -1.871 56.105 58.000 -0.041 0.000 0.951 850 F CB 1.300 40.283 39.000 -0.028 0.000 1.344 850 F HN 0.239 nan 8.300 nan 0.000 0.462 851 M N 1.519 121.211 119.600 0.153 0.000 2.267 851 M HA 0.336 4.806 4.480 -0.017 0.000 0.303 851 M C 1.009 177.395 176.300 0.144 0.000 1.164 851 M CA -0.375 54.967 55.300 0.069 0.000 1.060 851 M CB 0.963 33.591 32.600 0.047 0.000 1.455 851 M HN 0.796 nan 8.290 nan 0.000 0.483 852 K N 0.259 120.705 120.400 0.076 0.000 2.362 852 K HA -0.086 4.224 4.320 -0.017 0.000 0.200 852 K C 1.500 178.168 176.600 0.112 0.000 1.046 852 K CA 1.566 57.912 56.287 0.099 0.000 0.952 852 K CB -0.304 32.227 32.500 0.052 0.000 0.753 852 K HN 0.861 nan 8.250 nan 0.000 0.466 853 T N -3.092 111.519 114.554 0.094 0.000 3.085 853 T HA 0.082 4.422 4.350 -0.017 0.000 0.263 853 T C 1.465 176.214 174.700 0.082 0.000 1.127 853 T CA 0.803 62.949 62.100 0.076 0.000 1.103 853 T CB 0.215 69.115 68.868 0.053 0.000 0.921 853 T HN 0.335 nan 8.240 nan 0.000 0.510 854 G N 0.712 109.589 108.800 0.127 0.000 2.176 854 G HA2 -0.224 3.726 3.960 -0.017 0.000 0.232 854 G HA3 -0.224 3.726 3.960 -0.017 0.000 0.232 854 G C 0.196 175.118 174.900 0.036 0.000 0.986 854 G CA -0.004 45.139 45.100 0.072 0.000 0.643 854 G HN 0.690 nan 8.290 nan 0.000 0.522 855 T N 2.986 117.573 114.554 0.055 0.000 2.888 855 T HA 0.466 4.806 4.350 -0.017 0.000 0.301 855 T C 0.903 175.628 174.700 0.042 0.000 1.001 855 T CA 0.015 62.123 62.100 0.012 0.000 1.147 855 T CB 1.013 69.880 68.868 -0.002 0.000 0.931 855 T HN 0.230 nan 8.240 nan 0.000 0.541 856 I N 4.723 125.284 120.570 -0.015 0.000 2.496 856 I HA 0.091 4.251 4.170 -0.017 0.000 0.285 856 I C 1.438 177.509 176.117 -0.077 0.000 1.080 856 I CA -0.187 61.095 61.300 -0.030 0.000 1.404 856 I CB 0.695 38.639 38.000 -0.093 0.000 1.403 856 I HN 0.552 nan 8.210 nan 0.000 0.539 857 V N 2.565 122.419 119.914 -0.101 0.000 3.612 857 V HA 0.701 4.811 4.120 -0.017 0.000 0.268 857 V C 0.505 176.425 176.094 -0.289 0.000 1.365 857 V CA 0.295 62.498 62.300 -0.161 0.000 1.044 857 V CB 0.419 32.166 31.823 -0.127 0.000 0.820 857 V HN 0.772 nan 8.190 nan 0.000 0.444 858 A N 0.642 123.219 122.820 -0.406 0.000 2.566 858 A HA 0.840 5.150 4.320 -0.017 0.000 0.297 858 A C -1.835 175.400 177.584 -0.581 0.000 1.059 858 A CA -0.405 51.225 52.037 -0.678 0.000 0.691 858 A CB 2.214 20.347 19.000 -1.444 0.000 1.282 858 A HN 0.807 nan 8.150 nan 0.000 0.401 859 L N 0.772 121.738 121.223 -0.428 0.000 2.464 859 L HA 0.782 5.112 4.340 -0.017 0.000 0.266 859 L C -0.749 176.075 176.870 -0.077 0.000 0.965 859 L CA 0.028 54.694 54.840 -0.289 0.000 0.833 859 L CB 2.003 43.796 42.059 -0.444 0.000 1.296 859 L HN 0.830 nan 8.230 nan 0.000 0.405 860 E N 3.740 123.983 120.200 0.073 0.000 2.224 860 E HA 0.736 5.076 4.350 -0.017 0.000 0.265 860 E C -1.953 174.692 176.600 0.074 0.000 0.878 860 E CA -0.697 55.766 56.400 0.105 0.000 0.759 860 E CB 1.955 31.767 29.700 0.186 0.000 1.164 860 E HN 0.504 nan 8.360 nan 0.000 0.414 861 V N 4.003 123.951 119.914 0.057 0.000 2.623 861 V HA 0.317 4.427 4.120 -0.017 0.000 0.304 861 V C -1.070 174.989 176.094 -0.058 0.000 1.054 861 V CA -1.020 61.282 62.300 0.003 0.000 0.882 861 V CB 1.976 33.764 31.823 -0.059 0.000 1.002 861 V HN 0.707 nan 8.190 nan 0.000 0.424 862 D N 2.572 122.926 120.400 -0.077 0.000 2.349 862 D HA 0.466 5.096 4.640 -0.017 0.000 0.232 862 D C -0.528 175.637 176.300 -0.224 0.000 1.071 862 D CA -0.218 53.703 54.000 -0.131 0.000 0.832 862 D CB 1.245 42.010 40.800 -0.059 0.000 1.086 862 D HN 0.604 nan 8.370 nan 0.000 0.504 863 H N 1.165 120.120 119.070 -0.192 0.000 2.463 863 H HA 0.416 4.962 4.556 -0.017 0.000 0.332 863 H C -0.736 174.308 175.328 -0.473 0.000 1.127 863 H CA -0.308 55.690 56.048 -0.083 0.000 1.238 863 H CB 0.930 30.752 29.762 0.099 0.000 1.478 863 H HN 0.306 nan 8.280 nan 0.000 0.499 864 Y N 0.500 120.828 120.300 0.046 0.000 2.373 864 Y HA 0.348 4.888 4.550 -0.017 0.000 0.336 864 Y C -0.254 175.447 175.900 -0.332 0.000 0.979 864 Y CA -0.931 57.125 58.100 -0.074 0.000 1.080 864 Y CB 1.900 40.396 38.460 0.061 0.000 1.190 864 Y HN 0.654 nan 8.280 nan 0.000 0.446 865 S N 1.581 117.092 115.700 -0.315 0.000 2.549 865 S HA 0.412 4.872 4.470 -0.017 0.000 0.297 865 S C -0.717 173.884 174.600 0.002 0.000 1.115 865 S CA -0.971 56.964 58.200 -0.442 0.000 1.059 865 S CB 1.604 64.450 63.200 -0.590 0.000 1.046 865 S HN 0.628 nan 8.310 nan 0.000 0.506 866 N N 1.190 119.940 118.700 0.084 0.000 2.469 866 N HA 0.387 5.117 4.740 -0.017 0.000 0.239 866 N C 0.648 176.225 175.510 0.113 0.000 1.053 866 N CA -0.273 52.838 53.050 0.101 0.000 0.937 866 N CB 1.113 39.649 38.487 0.082 0.000 1.163 866 N HN 0.786 nan 8.380 nan 0.000 0.509 867 A N 2.479 125.406 122.820 0.179 0.000 2.081 867 A HA 0.383 4.693 4.320 -0.017 0.000 0.214 867 A C 1.203 178.867 177.584 0.133 0.000 1.158 867 A CA 0.924 53.107 52.037 0.243 0.000 0.724 867 A CB -0.652 18.598 19.000 0.416 0.000 0.826 867 A HN 0.874 nan 8.150 nan 0.000 0.463 868 G N 0.604 109.461 108.800 0.096 0.000 2.593 868 G HA2 -0.276 3.674 3.960 -0.017 0.000 0.237 868 G HA3 -0.276 3.674 3.960 -0.017 0.000 0.237 868 G C 0.198 175.180 174.900 0.137 0.000 1.312 868 G CA 0.238 45.368 45.100 0.049 0.000 0.896 868 G HN 1.076 nan 8.290 nan 0.000 0.574 869 N N 0.346 119.082 118.700 0.060 0.000 2.314 869 N HA 0.307 5.037 4.740 -0.017 0.000 0.200 869 N C 0.563 176.131 175.510 0.097 0.000 1.135 869 N CA 1.178 54.263 53.050 0.059 0.000 0.835 869 N CB 0.022 38.453 38.487 -0.094 0.000 0.989 869 N HN 1.697 nan 8.380 nan 0.000 0.478 870 S N -1.512 114.227 115.700 0.066 0.000 2.656 870 S HA 0.501 4.960 4.470 -0.017 0.000 0.273 870 S C 0.479 174.842 174.600 -0.395 0.000 1.168 870 S CA -0.908 57.233 58.200 -0.098 0.000 0.817 870 S CB 2.047 65.229 63.200 -0.031 0.000 1.146 870 S HN -0.019 nan 8.310 nan 0.000 0.475 871 R N 0.541 120.713 120.500 -0.546 0.000 2.057 871 R HA 0.108 4.438 4.340 -0.017 0.000 0.229 871 R C 0.805 177.051 176.300 -0.090 0.000 1.136 871 R CA 1.511 57.266 56.100 -0.575 0.000 0.952 871 R CB -0.768 29.174 30.300 -0.596 0.000 0.848 871 R HN 0.896 nan 8.270 nan 0.000 0.430 872 D N -1.058 119.428 120.400 0.143 0.000 3.417 872 D HA -0.291 4.339 4.640 -0.017 0.000 0.163 872 D C 0.098 176.618 176.300 0.367 0.000 1.070 872 D CA 2.066 56.233 54.000 0.278 0.000 1.047 872 D CB -0.706 40.218 40.800 0.207 0.000 0.514 872 D HN 0.089 nan 8.370 nan 0.000 0.532 873 L N 0.327 121.743 121.223 0.321 0.000 2.629 873 L HA 0.228 4.558 4.340 -0.017 0.000 0.230 873 L C 2.013 178.962 176.870 0.132 0.000 1.151 873 L CA 0.099 55.138 54.840 0.332 0.000 0.924 873 L CB -0.028 42.286 42.059 0.425 0.000 1.137 873 L HN 0.164 nan 8.230 nan 0.000 0.457 874 S N -0.515 115.245 115.700 0.100 0.000 2.370 874 S HA -0.269 4.191 4.470 -0.017 0.000 0.226 874 S C 1.897 176.441 174.600 -0.094 0.000 1.033 874 S CA 1.652 59.826 58.200 -0.045 0.000 1.011 874 S CB -0.242 63.030 63.200 0.119 0.000 0.852 874 S HN 0.602 nan 8.310 nan 0.000 0.457 875 H N 1.221 120.235 119.070 -0.093 0.000 2.321 875 H HA 0.012 4.558 4.556 -0.016 0.000 0.300 875 H C 2.220 177.535 175.328 -0.022 0.000 1.087 875 H CA 1.918 57.912 56.048 -0.090 0.000 1.319 875 H CB -0.286 29.399 29.762 -0.128 0.000 1.379 875 H HN 0.236 nan 8.280 nan 0.000 0.501 876 S N -0.274 115.549 115.700 0.205 0.000 2.399 876 S HA -0.104 4.356 4.470 -0.017 0.000 0.231 876 S C 2.206 176.913 174.600 0.178 0.000 1.022 876 S CA 1.213 59.594 58.200 0.302 0.000 0.983 876 S CB -0.188 63.350 63.200 0.563 0.000 0.803 876 S HN 0.371 nan 8.310 nan 0.000 0.480 877 I N 0.810 121.234 120.570 -0.244 0.000 2.226 877 I HA -0.212 3.948 4.170 -0.017 0.000 0.245 877 I C 2.445 178.456 176.117 -0.176 0.000 1.100 877 I CA 1.170 62.151 61.300 -0.532 0.000 1.374 877 I CB -0.230 37.280 38.000 -0.816 0.000 1.057 877 I HN 0.300 nan 8.210 nan 0.000 0.413 878 M N 0.733 120.220 119.600 -0.189 0.000 2.175 878 M HA -0.173 4.296 4.480 -0.017 0.000 0.264 878 M C 2.028 178.211 176.300 -0.195 0.000 1.063 878 M CA 1.784 56.993 55.300 -0.151 0.000 1.119 878 M CB -0.420 32.026 32.600 -0.256 0.000 1.377 878 M HN 0.100 nan 8.290 nan 0.000 0.415 879 E N -0.492 119.573 120.200 -0.224 0.000 2.058 879 E HA -0.277 4.063 4.350 -0.017 0.000 0.194 879 E C 2.225 178.706 176.600 -0.199 0.000 0.997 879 E CA 1.545 57.803 56.400 -0.236 0.000 0.801 879 E CB -0.311 29.377 29.700 -0.020 0.000 0.746 879 E HN 0.529 nan 8.360 nan 0.000 0.450 880 R N 0.582 121.171 120.500 0.148 0.000 2.081 880 R HA -0.156 4.174 4.340 -0.017 0.000 0.235 880 R C 2.276 178.726 176.300 0.249 0.000 1.131 880 R CA 1.314 57.633 56.100 0.365 0.000 0.960 880 R CB -0.212 30.327 30.300 0.398 0.000 0.856 880 R HN 0.136 nan 8.270 nan 0.000 0.436 881 A N 1.168 124.015 122.820 0.044 0.000 1.865 881 A HA -0.181 4.129 4.320 -0.017 0.000 0.217 881 A C 2.201 179.743 177.584 -0.070 0.000 1.191 881 A CA 1.526 53.528 52.037 -0.058 0.000 0.623 881 A CB -0.724 18.212 19.000 -0.106 0.000 0.826 881 A HN 0.366 nan 8.150 nan 0.000 0.444 882 L N -1.864 119.259 121.223 -0.167 0.000 2.083 882 L HA -0.176 4.154 4.340 -0.017 0.000 0.209 882 L C 2.426 179.346 176.870 0.084 0.000 1.083 882 L CA 1.315 56.084 54.840 -0.118 0.000 0.752 882 L CB -0.607 41.342 42.059 -0.183 0.000 0.899 882 L HN 0.454 nan 8.230 nan 0.000 0.433 883 F N -1.231 118.740 119.950 0.036 0.000 2.546 883 F HA -0.156 4.361 4.527 -0.017 0.000 0.298 883 F C 2.021 177.802 175.800 -0.032 0.000 1.120 883 F CA 0.557 58.441 58.000 -0.194 0.000 1.456 883 F CB -0.062 38.682 39.000 -0.427 0.000 1.088 883 F HN 0.238 nan 8.300 nan 0.000 0.572 884 H N -0.368 118.886 119.070 0.306 0.000 2.784 884 H HA 0.159 4.704 4.556 -0.017 0.000 0.273 884 H C 1.925 177.331 175.328 0.129 0.000 1.112 884 H CA 0.220 56.388 56.048 0.201 0.000 1.162 884 H CB 0.046 29.822 29.762 0.024 0.000 1.586 884 H HN 0.402 nan 8.280 nan 0.000 0.548 885 M N 0.532 120.260 119.600 0.213 0.000 2.549 885 M HA -0.069 4.401 4.480 -0.017 0.000 0.260 885 M C 1.022 177.398 176.300 0.126 0.000 1.076 885 M CA 1.494 56.895 55.300 0.169 0.000 1.090 885 M CB -0.138 32.595 32.600 0.222 0.000 1.418 885 M HN -0.072 nan 8.290 nan 0.000 0.486 886 D N -0.560 119.867 120.400 0.046 0.000 2.333 886 D HA -0.060 4.570 4.640 -0.017 0.000 0.208 886 D C 0.970 177.327 176.300 0.095 0.000 0.984 886 D CA 0.449 54.502 54.000 0.088 0.000 0.873 886 D CB -0.552 40.327 40.800 0.131 0.000 0.935 886 D HN 0.505 nan 8.370 nan 0.000 0.521 887 N N 0.281 119.011 118.700 0.050 0.000 1.238 887 N HA -0.314 4.416 4.740 -0.017 0.000 0.139 887 N C -0.046 175.401 175.510 -0.103 0.000 0.512 887 N CA 2.688 55.694 53.050 -0.073 0.000 1.011 887 N CB -1.272 37.087 38.487 -0.212 0.000 1.386 887 N HN 0.366 nan 8.380 nan 0.000 0.471 888 C N -0.147 118.814 119.300 -0.565 0.000 2.760 888 C HA 0.435 4.885 4.460 -0.017 0.000 0.293 888 C C -0.724 173.862 174.990 -0.673 0.000 1.383 888 C CA -0.520 58.284 59.018 -0.357 0.000 1.771 888 C CB -1.939 25.607 27.740 -0.323 0.000 2.353 888 C HN 0.344 nan 8.230 nan 0.000 0.578 889 Y N 0.533 120.598 120.300 -0.392 0.000 2.393 889 Y HA 0.471 5.011 4.550 -0.017 0.000 0.341 889 Y C 0.182 175.481 175.900 -1.001 0.000 0.988 889 Y CA -1.038 56.709 58.100 -0.588 0.000 1.078 889 Y CB 0.960 39.278 38.460 -0.236 0.000 1.203 889 Y HN -0.162 nan 8.280 nan 0.000 0.453 890 K N 3.697 123.627 120.400 -0.784 0.000 2.276 890 K HA 0.505 4.815 4.320 -0.017 0.000 0.285 890 K C -1.542 174.905 176.600 -0.255 0.000 1.062 890 K CA 0.147 56.054 56.287 -0.633 0.000 0.918 890 K CB 0.046 32.302 32.500 -0.406 0.000 1.055 890 K HN 0.685 nan 8.250 nan 0.000 0.477 891 I N 8.472 128.945 120.570 -0.162 0.000 2.476 891 I HA 0.254 4.414 4.170 -0.017 0.000 0.281 891 I C -1.530 174.538 176.117 -0.082 0.000 1.040 891 I CA -1.836 59.397 61.300 -0.113 0.000 1.094 891 I CB 2.097 40.036 38.000 -0.102 0.000 1.219 891 I HN 0.645 nan 8.210 nan 0.000 0.450 892 P HA -0.047 nan 4.420 nan 0.000 0.219 892 P C -0.279 176.980 177.300 -0.070 0.000 1.150 892 P CA 1.156 64.215 63.100 -0.069 0.000 0.814 892 P CB 0.265 31.918 31.700 -0.078 0.000 0.787 893 N N 0.414 119.045 118.700 -0.115 0.000 2.448 893 N HA 0.455 5.185 4.740 -0.017 0.000 0.279 893 N C -0.829 174.594 175.510 -0.145 0.000 1.025 893 N CA -0.335 52.640 53.050 -0.125 0.000 0.898 893 N CB 2.391 40.768 38.487 -0.184 0.000 1.303 893 N HN 0.085 nan 8.380 nan 0.000 0.495 894 I N 0.765 121.297 120.570 -0.063 0.000 2.722 894 I HA 0.402 4.562 4.170 -0.017 0.000 0.292 894 I C -1.472 174.665 176.117 0.033 0.000 1.267 894 I CA -0.658 60.619 61.300 -0.038 0.000 1.036 894 I CB 2.403 40.394 38.000 -0.015 0.000 1.281 894 I HN 0.353 nan 8.210 nan 0.000 0.423 895 R N 5.261 125.788 120.500 0.045 0.000 2.510 895 R HA 0.638 4.968 4.340 -0.017 0.000 0.294 895 R C -1.474 174.889 176.300 0.105 0.000 1.056 895 R CA -0.559 55.593 56.100 0.088 0.000 0.918 895 R CB 1.896 32.245 30.300 0.082 0.000 1.187 895 R HN 0.799 nan 8.270 nan 0.000 0.437 896 G N 1.902 110.791 108.800 0.148 0.000 2.461 896 G HA2 0.507 4.457 3.960 -0.017 0.000 0.323 896 G HA3 0.507 4.457 3.960 -0.017 0.000 0.323 896 G C -0.626 174.369 174.900 0.159 0.000 1.229 896 G CA -0.412 44.804 45.100 0.194 0.000 0.941 896 G HN 0.571 nan 8.290 nan 0.000 0.477 897 T N -1.057 113.584 114.554 0.146 0.000 2.916 897 T HA 0.852 5.192 4.350 -0.017 0.000 0.292 897 T C -0.062 174.653 174.700 0.025 0.000 1.064 897 T CA -0.602 61.521 62.100 0.038 0.000 1.011 897 T CB 2.350 71.190 68.868 -0.047 0.000 1.152 897 T HN 1.223 nan 8.240 nan 0.000 0.510 898 G N 0.382 109.110 108.800 -0.120 0.000 2.682 898 G HA2 0.632 4.582 3.960 -0.017 0.000 0.300 898 G HA3 0.632 4.582 3.960 -0.017 0.000 0.300 898 G C -1.620 173.108 174.900 -0.286 0.000 1.391 898 G CA -0.957 44.026 45.100 -0.196 0.000 0.990 898 G HN 0.733 nan 8.290 nan 0.000 0.501 899 R N 0.692 120.985 120.500 -0.344 0.000 2.686 899 R HA 0.614 4.944 4.340 -0.017 0.000 0.283 899 R C -0.778 175.488 176.300 -0.056 0.000 0.978 899 R CA -0.807 55.132 56.100 -0.269 0.000 0.897 899 R CB 1.551 31.582 30.300 -0.447 0.000 1.192 899 R HN 0.425 nan 8.270 nan 0.000 0.457 900 L N 3.577 124.839 121.223 0.065 0.000 2.257 900 L HA 0.466 4.796 4.340 -0.017 0.000 0.290 900 L C -0.411 176.660 176.870 0.334 0.000 1.044 900 L CA -0.928 54.022 54.840 0.183 0.000 0.810 900 L CB 1.338 43.535 42.059 0.231 0.000 1.193 900 L HN 0.533 nan 8.230 nan 0.000 0.425 901 C N 3.137 122.606 119.300 0.282 0.000 2.499 901 C HA 0.158 4.608 4.460 -0.017 0.000 0.386 901 C C 0.821 175.793 174.990 -0.030 0.000 1.293 901 C CA -0.666 58.448 59.018 0.160 0.000 1.884 901 C CB 0.138 27.946 27.740 0.114 0.000 2.509 901 C HN 0.693 nan 8.230 nan 0.000 0.566 902 K N 3.337 123.541 120.400 -0.327 0.000 2.267 902 K HA 0.460 4.770 4.320 -0.017 0.000 0.282 902 K C 0.029 176.447 176.600 -0.303 0.000 1.078 902 K CA 0.159 56.109 56.287 -0.563 0.000 0.903 902 K CB 0.483 32.343 32.500 -1.066 0.000 1.111 902 K HN 0.925 nan 8.250 nan 0.000 0.475 903 T N 0.173 114.631 114.554 -0.160 0.000 2.883 903 T HA 0.305 4.645 4.350 -0.017 0.000 0.296 903 T C -0.237 174.384 174.700 -0.131 0.000 1.117 903 T CA -1.105 60.904 62.100 -0.150 0.000 1.006 903 T CB 1.101 69.897 68.868 -0.120 0.000 1.191 903 T HN 0.462 nan 8.240 nan 0.000 0.508 904 N N 1.688 120.296 118.700 -0.152 0.000 3.303 904 N HA 0.330 5.060 4.740 -0.017 0.000 0.304 904 N C -0.875 174.572 175.510 -0.104 0.000 1.302 904 N CA 0.012 52.979 53.050 -0.138 0.000 1.213 904 N CB -0.376 38.027 38.487 -0.139 0.000 1.481 904 N HN 0.500 nan 8.380 nan 0.000 0.546 905 L N -0.203 120.962 121.223 -0.097 0.000 2.393 905 L HA 0.327 4.657 4.340 -0.017 0.000 0.260 905 L C 0.310 177.153 176.870 -0.045 0.000 1.002 905 L CA -0.854 53.935 54.840 -0.085 0.000 0.818 905 L CB 1.962 43.928 42.059 -0.154 0.000 1.369 905 L HN -0.009 nan 8.230 nan 0.000 0.412 906 S N 0.716 116.414 115.700 -0.003 0.000 2.558 906 S HA -0.040 4.420 4.470 -0.017 0.000 0.291 906 S C 0.255 174.857 174.600 0.004 0.000 1.306 906 S CA -0.028 58.178 58.200 0.009 0.000 1.056 906 S CB 0.697 63.931 63.200 0.057 0.000 0.836 906 S HN 0.568 nan 8.310 nan 0.000 0.504 907 S N 3.109 118.812 115.700 0.005 0.000 2.525 907 S HA 0.053 4.512 4.470 -0.017 0.000 0.285 907 S C 0.303 174.913 174.600 0.017 0.000 1.283 907 S CA -0.566 57.645 58.200 0.018 0.000 1.072 907 S CB -0.238 62.982 63.200 0.033 0.000 0.867 907 S HN 0.605 nan 8.310 nan 0.000 0.492 908 N N 2.685 121.338 118.700 -0.078 0.000 2.445 908 N HA 0.419 5.149 4.740 -0.017 0.000 0.264 908 N C 0.207 175.715 175.510 -0.003 0.000 1.227 908 N CA -0.113 52.816 53.050 -0.201 0.000 0.963 908 N CB 1.551 39.616 38.487 -0.703 0.000 1.188 908 N HN 0.674 nan 8.380 nan 0.000 0.491 909 T N -1.323 113.348 114.554 0.195 0.000 2.618 909 T HA 0.615 4.955 4.350 -0.017 0.000 0.293 909 T C -1.237 173.740 174.700 0.462 0.000 1.093 909 T CA -0.526 61.800 62.100 0.378 0.000 1.061 909 T CB 0.430 69.491 68.868 0.320 0.000 1.498 909 T HN 0.479 nan 8.240 nan 0.000 0.494 910 A N 1.153 124.258 122.820 0.475 0.000 2.511 910 A HA 0.562 4.872 4.320 -0.017 0.000 0.242 910 A C -0.714 177.277 177.584 0.678 0.000 1.069 910 A CA 0.177 52.574 52.037 0.600 0.000 0.763 910 A CB -0.746 18.666 19.000 0.686 0.000 1.001 910 A HN 0.702 nan 8.150 nan 0.000 0.498 911 F N 2.128 122.361 119.950 0.471 0.000 2.588 911 F HA 0.426 4.943 4.527 -0.016 0.000 0.318 911 F C 0.499 176.492 175.800 0.321 0.000 1.155 911 F CA -1.124 57.118 58.000 0.403 0.000 0.967 911 F CB 1.222 40.315 39.000 0.153 0.000 1.236 911 F HN 0.785 nan 8.300 nan 0.000 0.455 912 R N 3.997 124.966 120.500 0.781 0.000 3.958 912 R HA -0.021 4.309 4.340 -0.017 0.000 0.186 912 R C 0.956 177.447 176.300 0.318 0.000 0.520 912 R CA 2.027 58.422 56.100 0.492 0.000 0.917 912 R CB -0.617 29.983 30.300 0.500 0.000 1.014 912 R HN 1.173 nan 8.270 nan 0.000 0.296 913 G N 3.691 112.649 108.800 0.264 0.000 2.313 913 G HA2 -0.322 3.628 3.960 -0.017 0.000 0.215 913 G HA3 -0.322 3.628 3.960 -0.017 0.000 0.215 913 G C 0.295 175.482 174.900 0.479 0.000 1.023 913 G CA -0.040 45.224 45.100 0.273 0.000 0.626 913 G HN 0.862 nan 8.290 nan 0.000 0.503 914 F N 0.591 120.675 119.950 0.223 0.000 2.983 914 F HA 0.069 4.586 4.527 -0.017 0.000 0.288 914 F C 1.757 177.622 175.800 0.108 0.000 0.980 914 F CA 2.527 60.649 58.000 0.204 0.000 0.965 914 F CB -0.995 38.139 39.000 0.224 0.000 0.967 914 F HN 2.075 nan 8.300 nan 0.000 0.800 915 G N -0.310 108.491 108.800 0.002 0.000 2.268 915 G HA2 -0.281 3.669 3.960 -0.017 0.000 0.240 915 G HA3 -0.281 3.669 3.960 -0.017 0.000 0.240 915 G C 1.547 176.345 174.900 -0.170 0.000 1.010 915 G CA 0.771 45.788 45.100 -0.139 0.000 0.618 915 G HN 1.559 nan 8.290 nan 0.000 0.516 916 G N 1.827 110.597 108.800 -0.049 0.000 2.480 916 G HA2 0.040 3.990 3.960 -0.017 0.000 0.216 916 G HA3 0.040 3.990 3.960 -0.017 0.000 0.216 916 G C 0.121 174.960 174.900 -0.103 0.000 1.200 916 G CA 2.035 47.049 45.100 -0.142 0.000 0.782 916 G HN 0.540 nan 8.290 nan 0.000 0.554 917 P HA -0.116 nan 4.420 nan 0.000 0.216 917 P C 1.794 179.143 177.300 0.083 0.000 1.153 917 P CA 1.500 64.683 63.100 0.138 0.000 0.858 917 P CB -0.050 31.732 31.700 0.137 0.000 0.789 918 Q N -0.506 119.190 119.800 -0.173 0.000 2.050 918 Q HA -0.115 4.215 4.340 -0.017 0.000 0.202 918 Q C 2.304 178.213 176.000 -0.153 0.000 0.980 918 Q CA 2.088 57.712 55.803 -0.299 0.000 0.840 918 Q CB -1.348 26.752 28.738 -1.063 0.000 0.898 918 Q HN 0.185 nan 8.270 nan 0.000 0.424 919 A N 0.296 122.983 122.820 -0.222 0.000 1.898 919 A HA -0.103 4.207 4.320 -0.017 0.000 0.216 919 A C 2.069 179.625 177.584 -0.046 0.000 1.181 919 A CA 1.061 53.083 52.037 -0.026 0.000 0.620 919 A CB -0.663 18.317 19.000 -0.033 0.000 0.819 919 A HN 0.322 nan 8.150 nan 0.000 0.442 920 L N -1.986 119.095 121.223 -0.236 0.000 2.083 920 L HA -0.142 4.188 4.340 -0.017 0.000 0.209 920 L C 2.459 179.083 176.870 -0.408 0.000 1.083 920 L CA 1.484 55.959 54.840 -0.608 0.000 0.752 920 L CB -0.569 40.605 42.059 -1.475 0.000 0.899 920 L HN 0.498 nan 8.230 nan 0.000 0.433 921 F N 0.924 120.795 119.950 -0.130 0.000 2.134 921 F HA -0.218 4.299 4.527 -0.018 0.000 0.299 921 F C 2.222 178.021 175.800 -0.002 0.000 1.097 921 F CA 1.458 59.555 58.000 0.162 0.000 1.264 921 F CB -0.176 38.931 39.000 0.179 0.000 1.001 921 F HN -0.113 nan 8.300 nan 0.000 0.479 922 I N 0.212 120.731 120.570 -0.084 0.000 2.179 922 I HA -0.295 3.865 4.170 -0.017 0.000 0.242 922 I C 2.724 178.581 176.117 -0.434 0.000 1.088 922 I CA 1.199 62.380 61.300 -0.197 0.000 1.357 922 I CB -0.981 37.068 38.000 0.081 0.000 1.051 922 I HN 0.239 nan 8.210 nan 0.000 0.409 923 A N 0.436 123.020 122.820 -0.393 0.000 1.865 923 A HA -0.230 4.080 4.320 -0.017 0.000 0.217 923 A C 2.238 179.040 177.584 -1.303 0.000 1.191 923 A CA 1.732 53.262 52.037 -0.845 0.000 0.623 923 A CB -0.521 18.277 19.000 -0.337 0.000 0.826 923 A HN 0.342 nan 8.150 nan 0.000 0.444 924 E N -0.253 119.508 120.200 -0.733 0.000 2.150 924 E HA -0.179 4.161 4.350 -0.017 0.000 0.193 924 E C 1.801 177.822 176.600 -0.965 0.000 0.985 924 E CA 1.243 57.161 56.400 -0.804 0.000 0.814 924 E CB -0.526 28.805 29.700 -0.614 0.000 0.752 924 E HN 0.742 nan 8.360 nan 0.000 0.466 925 N N 1.167 119.435 118.700 -0.719 0.000 2.039 925 N HA -0.165 4.565 4.740 -0.017 0.000 0.193 925 N C 1.949 177.213 175.510 -0.411 0.000 1.044 925 N CA 2.109 54.901 53.050 -0.430 0.000 0.847 925 N CB -0.406 37.803 38.487 -0.463 0.000 1.030 925 N HN 0.381 nan 8.380 nan 0.000 0.422 926 W N -0.524 120.498 121.300 -0.462 0.000 2.374 926 W HA -0.087 4.563 4.660 -0.017 0.000 0.288 926 W C 1.725 178.051 176.519 -0.321 0.000 1.218 926 W CA 0.315 57.434 57.345 -0.378 0.000 1.245 926 W CB -0.862 28.355 29.460 -0.405 0.000 1.126 926 W HN 0.162 nan 8.180 nan 0.000 0.545 927 M N 3.400 122.631 119.600 -0.615 0.000 2.159 927 M HA -0.197 4.273 4.480 -0.017 0.000 0.263 927 M C 2.593 178.669 176.300 -0.374 0.000 1.063 927 M CA 2.816 57.794 55.300 -0.536 0.000 1.110 927 M CB -0.856 31.181 32.600 -0.939 0.000 1.374 927 M HN 0.103 nan 8.290 nan 0.000 0.411 928 S N -0.592 114.873 115.700 -0.393 0.000 2.382 928 S HA -0.184 4.276 4.470 -0.017 0.000 0.228 928 S C 1.771 176.290 174.600 -0.135 0.000 1.027 928 S CA 1.612 59.668 58.200 -0.241 0.000 0.991 928 S CB -0.889 62.200 63.200 -0.185 0.000 0.823 928 S HN 0.711 nan 8.310 nan 0.000 0.469 929 E N 0.825 120.961 120.200 -0.106 0.000 2.107 929 E HA -0.021 4.319 4.350 -0.017 0.000 0.191 929 E C 2.180 178.703 176.600 -0.129 0.000 0.982 929 E CA 0.992 57.368 56.400 -0.040 0.000 0.809 929 E CB -0.373 29.368 29.700 0.068 0.000 0.756 929 E HN 0.399 nan 8.360 nan 0.000 0.459 930 V N 1.800 121.533 119.914 -0.302 0.000 2.282 930 V HA -0.337 3.773 4.120 -0.017 0.000 0.249 930 V C 2.411 178.283 176.094 -0.370 0.000 1.057 930 V CA 2.083 63.955 62.300 -0.712 0.000 1.032 930 V CB -0.815 30.560 31.823 -0.747 0.000 0.645 930 V HN 0.335 nan 8.190 nan 0.000 0.447 931 A N -0.424 122.269 122.820 -0.211 0.000 1.877 931 A HA -0.175 4.135 4.320 -0.017 0.000 0.216 931 A C 2.402 179.970 177.584 -0.026 0.000 1.186 931 A CA 2.193 54.174 52.037 -0.094 0.000 0.620 931 A CB -0.780 18.181 19.000 -0.066 0.000 0.822 931 A HN 0.331 nan 8.150 nan 0.000 0.443 932 V N -0.233 119.671 119.914 -0.017 0.000 2.295 932 V HA -0.240 3.870 4.120 -0.017 0.000 0.246 932 V C 2.760 178.894 176.094 0.067 0.000 1.049 932 V CA 2.521 64.843 62.300 0.036 0.000 1.024 932 V CB -1.230 30.620 31.823 0.046 0.000 0.648 932 V HN 0.624 nan 8.190 nan 0.000 0.447 933 T N -1.369 113.233 114.554 0.080 0.000 2.788 933 T HA -0.208 4.132 4.350 -0.017 0.000 0.268 933 T C 1.774 176.586 174.700 0.187 0.000 1.044 933 T CA 1.886 64.092 62.100 0.177 0.000 1.139 933 T CB -0.438 68.638 68.868 0.347 0.000 0.867 933 T HN 0.544 nan 8.240 nan 0.000 0.454 934 C N 0.840 120.235 119.300 0.158 0.000 2.539 934 C HA 0.411 4.861 4.460 -0.017 0.000 0.268 934 C C 2.107 177.156 174.990 0.098 0.000 1.395 934 C CA -0.300 58.809 59.018 0.152 0.000 1.757 934 C CB -1.403 26.416 27.740 0.132 0.000 1.851 934 C HN 0.807 nan 8.230 nan 0.000 0.545 935 G N 0.995 109.843 108.800 0.080 0.000 2.273 935 G HA2 -0.247 3.703 3.960 -0.017 0.000 0.280 935 G HA3 -0.247 3.703 3.960 -0.017 0.000 0.280 935 G C -0.225 174.713 174.900 0.062 0.000 1.047 935 G CA 0.159 45.299 45.100 0.067 0.000 0.869 935 G HN 0.550 nan 8.290 nan 0.000 0.502 936 L N -0.710 120.549 121.223 0.059 0.000 2.319 936 L HA 0.554 4.884 4.340 -0.017 0.000 0.267 936 L C -2.017 174.895 176.870 0.071 0.000 1.011 936 L CA -2.662 52.217 54.840 0.064 0.000 0.818 936 L CB 1.920 44.017 42.059 0.063 0.000 1.316 936 L HN -0.143 nan 8.230 nan 0.000 0.432 937 P HA 0.066 nan 4.420 nan 0.000 0.268 937 P C 0.049 177.423 177.300 0.123 0.000 1.204 937 P CA -0.065 63.110 63.100 0.124 0.000 0.768 937 P CB 1.039 32.840 31.700 0.170 0.000 0.842 938 A N 3.873 126.763 122.820 0.116 0.000 1.908 938 A HA -0.239 4.071 4.320 -0.017 0.000 0.218 938 A C 1.739 179.408 177.584 0.141 0.000 1.181 938 A CA 1.769 53.856 52.037 0.084 0.000 0.627 938 A CB -0.988 18.051 19.000 0.065 0.000 0.818 938 A HN 0.590 nan 8.150 nan 0.000 0.445 939 E N 0.239 120.564 120.200 0.208 0.000 2.110 939 E HA -0.192 4.148 4.350 -0.017 0.000 0.193 939 E C 1.802 178.632 176.600 0.383 0.000 0.988 939 E CA 1.311 57.912 56.400 0.334 0.000 0.804 939 E CB -0.424 29.363 29.700 0.144 0.000 0.745 939 E HN 0.837 nan 8.360 nan 0.000 0.458 940 E N 0.829 121.194 120.200 0.274 0.000 2.077 940 E HA -0.163 4.177 4.350 -0.017 0.000 0.193 940 E C 1.879 178.598 176.600 0.198 0.000 0.989 940 E CA 1.317 57.868 56.400 0.252 0.000 0.800 940 E CB 0.136 29.947 29.700 0.186 0.000 0.746 940 E HN 0.175 nan 8.360 nan 0.000 0.452 941 V N 1.087 121.066 119.914 0.107 0.000 2.453 941 V HA -0.195 3.915 4.120 -0.017 0.000 0.247 941 V C 2.431 178.485 176.094 -0.068 0.000 1.048 941 V CA 1.803 64.105 62.300 0.003 0.000 1.049 941 V CB -0.499 31.290 31.823 -0.057 0.000 0.672 941 V HN 0.235 nan 8.190 nan 0.000 0.457 942 R N -0.934 119.547 120.500 -0.031 0.000 2.062 942 R HA -0.187 4.143 4.340 -0.017 0.000 0.231 942 R C 2.275 178.525 176.300 -0.083 0.000 1.136 942 R CA 1.936 57.980 56.100 -0.093 0.000 0.948 942 R CB -0.506 29.819 30.300 0.042 0.000 0.845 942 R HN 0.685 nan 8.270 nan 0.000 0.430 943 W N 2.544 123.685 121.300 -0.266 0.000 2.318 943 W HA -0.243 4.407 4.660 -0.016 0.000 0.313 943 W C 1.372 177.798 176.519 -0.156 0.000 1.221 943 W CA 1.517 58.668 57.345 -0.324 0.000 1.266 943 W CB -0.143 29.237 29.460 -0.133 0.000 1.150 943 W HN 0.055 nan 8.180 nan 0.000 0.496 944 K N -0.217 120.152 120.400 -0.053 0.000 2.113 944 K HA -0.206 4.104 4.320 -0.017 0.000 0.208 944 K C 1.467 177.946 176.600 -0.202 0.000 1.047 944 K CA 1.597 57.812 56.287 -0.119 0.000 0.928 944 K CB -0.356 32.139 32.500 -0.010 0.000 0.716 944 K HN 0.148 nan 8.250 nan 0.000 0.446 945 N N 0.132 118.724 118.700 -0.181 0.000 2.280 945 N HA 0.035 4.764 4.740 -0.017 0.000 0.192 945 N C 0.277 175.717 175.510 -0.116 0.000 1.109 945 N CA 0.053 53.012 53.050 -0.152 0.000 0.855 945 N CB 0.306 38.676 38.487 -0.195 0.000 0.974 945 N HN 0.188 nan 8.380 nan 0.000 0.482 946 M N 0.822 120.301 119.600 -0.202 0.000 2.245 946 M HA 0.010 4.480 4.480 -0.017 0.000 0.344 946 M C -0.211 175.917 176.300 -0.286 0.000 1.170 946 M CA -0.066 55.094 55.300 -0.233 0.000 1.135 946 M CB 0.523 32.881 32.600 -0.403 0.000 1.574 946 M HN 0.047 nan 8.290 nan 0.000 0.452 947 Y N 3.488 123.610 120.300 -0.296 0.000 2.607 947 Y HA -0.025 4.516 4.550 -0.016 0.000 0.348 947 Y C 0.545 176.141 175.900 -0.505 0.000 1.261 947 Y CA 0.290 58.073 58.100 -0.529 0.000 1.480 947 Y CB 0.451 38.296 38.460 -1.025 0.000 1.358 947 Y HN 0.436 nan 8.280 nan 0.000 0.630 948 K N 1.249 121.489 120.400 -0.267 0.000 2.221 948 K HA 0.187 4.497 4.320 -0.017 0.000 0.243 948 K C -0.825 175.622 176.600 -0.255 0.000 0.968 948 K CA -1.252 54.918 56.287 -0.194 0.000 0.846 948 K CB 1.630 34.048 32.500 -0.136 0.000 1.141 948 K HN 0.550 nan 8.250 nan 0.000 0.434 949 E N 0.175 120.331 120.200 -0.073 0.000 2.765 949 E HA -0.039 4.301 4.350 -0.017 0.000 0.256 949 E C 0.828 177.360 176.600 -0.113 0.000 0.935 949 E CA 1.920 58.289 56.400 -0.051 0.000 0.954 949 E CB -0.318 29.391 29.700 0.015 0.000 0.908 949 E HN 0.751 nan 8.360 nan 0.000 0.500 950 G N 3.762 112.479 108.800 -0.138 0.000 2.225 950 G HA2 -0.274 3.676 3.960 -0.017 0.000 0.254 950 G HA3 -0.274 3.676 3.960 -0.017 0.000 0.254 950 G C 0.012 174.806 174.900 -0.175 0.000 0.988 950 G CA 0.076 45.100 45.100 -0.127 0.000 0.625 950 G HN 0.652 nan 8.290 nan 0.000 0.527 951 D N 0.424 120.675 120.400 -0.249 0.000 2.378 951 D HA 0.420 5.050 4.640 -0.017 0.000 0.238 951 D C 1.180 177.285 176.300 -0.325 0.000 1.180 951 D CA 0.142 53.996 54.000 -0.243 0.000 0.895 951 D CB 0.524 41.199 40.800 -0.209 0.000 1.192 951 D HN 0.336 nan 8.370 nan 0.000 0.438 952 L N 1.344 122.422 121.223 -0.241 0.000 2.312 952 L HA 0.247 4.577 4.340 -0.017 0.000 0.281 952 L C 1.364 178.038 176.870 -0.327 0.000 1.070 952 L CA -0.732 53.937 54.840 -0.286 0.000 0.805 952 L CB 1.187 43.141 42.059 -0.175 0.000 1.174 952 L HN 0.451 nan 8.230 nan 0.000 0.434 953 T N -2.453 111.763 114.554 -0.562 0.000 2.667 953 T HA -0.015 4.325 4.350 -0.017 0.000 0.305 953 T C 1.435 175.981 174.700 -0.258 0.000 1.022 953 T CA -0.130 61.669 62.100 -0.502 0.000 0.995 953 T CB 0.366 68.559 68.868 -1.124 0.000 1.026 953 T HN 0.745 nan 8.240 nan 0.000 0.527 954 H N 0.187 119.186 119.070 -0.118 0.000 2.491 954 H HA -0.017 4.529 4.556 -0.016 0.000 0.290 954 H C 1.266 176.658 175.328 0.106 0.000 1.050 954 H CA 1.092 57.167 56.048 0.044 0.000 1.309 954 H CB -0.790 29.069 29.762 0.161 0.000 1.392 954 H HN 0.780 nan 8.280 nan 0.000 0.554 955 F N 0.210 119.956 119.950 -0.341 0.000 2.639 955 F HA 0.412 4.928 4.527 -0.017 0.000 0.300 955 F C 0.055 175.832 175.800 -0.040 0.000 1.109 955 F CA -0.870 57.021 58.000 -0.182 0.000 1.335 955 F CB -0.088 38.665 39.000 -0.411 0.000 1.014 955 F HN -0.146 nan 8.300 nan 0.000 0.537 956 N N 1.090 119.626 118.700 -0.274 0.000 2.782 956 N HA -0.261 4.469 4.740 -0.017 0.000 0.251 956 N C -0.107 175.289 175.510 -0.191 0.000 1.101 956 N CA 1.087 54.039 53.050 -0.164 0.000 0.764 956 N CB -1.189 37.289 38.487 -0.015 0.000 1.122 956 N HN 0.779 nan 8.380 nan 0.000 0.561 957 Q N 0.615 120.180 119.800 -0.392 0.000 2.256 957 Q HA 0.307 4.637 4.340 -0.017 0.000 0.254 957 Q C 0.182 176.031 176.000 -0.251 0.000 0.916 957 Q CA -0.599 55.075 55.803 -0.215 0.000 0.932 957 Q CB 0.984 29.693 28.738 -0.049 0.000 1.207 957 Q HN 0.221 nan 8.270 nan 0.000 0.426 958 R N 3.970 124.395 120.500 -0.126 0.000 2.442 958 R HA 0.150 4.480 4.340 -0.017 0.000 0.291 958 R C -0.787 175.443 176.300 -0.115 0.000 1.069 958 R CA -0.144 55.872 56.100 -0.141 0.000 1.022 958 R CB 0.334 30.589 30.300 -0.075 0.000 0.976 958 R HN 0.670 nan 8.270 nan 0.000 0.443 959 L N 5.430 126.503 121.223 -0.250 0.000 2.356 959 L HA 0.203 4.533 4.340 -0.017 0.000 0.282 959 L C -0.054 176.797 176.870 -0.031 0.000 1.132 959 L CA 0.157 54.870 54.840 -0.212 0.000 0.923 959 L CB 0.517 42.224 42.059 -0.587 0.000 1.278 959 L HN 0.554 nan 8.230 nan 0.000 0.436 960 E N 2.445 122.701 120.200 0.094 0.000 2.174 960 E HA 0.373 4.713 4.350 -0.017 0.000 0.282 960 E C 0.646 177.341 176.600 0.160 0.000 0.992 960 E CA -0.272 56.184 56.400 0.093 0.000 0.803 960 E CB 1.600 31.341 29.700 0.069 0.000 1.090 960 E HN 0.701 nan 8.360 nan 0.000 0.396 961 G N 3.569 112.441 108.800 0.120 0.000 2.291 961 G HA2 -0.295 3.655 3.960 -0.017 0.000 0.271 961 G HA3 -0.295 3.655 3.960 -0.017 0.000 0.271 961 G C -0.417 174.571 174.900 0.146 0.000 1.099 961 G CA -0.350 44.825 45.100 0.125 0.000 0.919 961 G HN 0.504 nan 8.290 nan 0.000 0.496 962 F N 2.433 122.310 119.950 -0.122 0.000 2.464 962 F HA 0.486 5.003 4.527 -0.017 0.000 0.353 962 F C 1.420 176.953 175.800 -0.444 0.000 1.191 962 F CA -0.263 57.491 58.000 -0.410 0.000 1.147 962 F CB 0.671 39.472 39.000 -0.332 0.000 1.294 962 F HN 0.282 nan 8.300 nan 0.000 0.583 963 S N 2.521 117.639 115.700 -0.970 0.000 2.556 963 S HA 0.016 4.476 4.470 -0.017 0.000 0.216 963 S C 1.641 175.907 174.600 -0.557 0.000 0.970 963 S CA 0.295 58.189 58.200 -0.509 0.000 0.912 963 S CB -0.348 62.742 63.200 -0.183 0.000 0.790 963 S HN 0.403 nan 8.310 nan 0.000 0.504 964 V N 3.128 122.397 119.914 -1.075 0.000 2.282 964 V HA -0.118 3.992 4.120 -0.017 0.000 0.249 964 V C -0.376 175.610 176.094 -0.180 0.000 1.057 964 V CA 2.121 64.059 62.300 -0.603 0.000 1.032 964 V CB -1.788 29.567 31.823 -0.780 0.000 0.645 964 V HN 0.391 nan 8.190 nan 0.000 0.447 965 P HA -0.156 nan 4.420 nan 0.000 0.216 965 P C 1.772 179.219 177.300 0.245 0.000 1.153 965 P CA 1.493 64.720 63.100 0.212 0.000 0.858 965 P CB -0.117 31.690 31.700 0.178 0.000 0.789 966 R N -0.978 119.573 120.500 0.086 0.000 2.070 966 R HA -0.119 4.211 4.340 -0.017 0.000 0.233 966 R C 2.338 178.688 176.300 0.084 0.000 1.137 966 R CA 1.821 57.966 56.100 0.075 0.000 0.945 966 R CB -1.317 28.995 30.300 0.020 0.000 0.845 966 R HN 0.232 nan 8.270 nan 0.000 0.430 967 C N -0.379 118.961 119.300 0.067 0.000 2.401 967 C HA -0.173 4.277 4.460 -0.017 0.000 0.276 967 C C 2.394 177.465 174.990 0.135 0.000 1.233 967 C CA 0.232 59.301 59.018 0.085 0.000 1.753 967 C CB -1.177 26.614 27.740 0.085 0.000 2.029 967 C HN 0.663 nan 8.230 nan 0.000 0.478 968 W N 1.783 123.084 121.300 0.001 0.000 2.353 968 W HA -0.147 4.503 4.660 -0.017 0.000 0.319 968 W C 2.183 178.674 176.519 -0.047 0.000 1.207 968 W CA 2.154 59.503 57.345 0.007 0.000 1.291 968 W CB -0.808 28.729 29.460 0.129 0.000 1.159 968 W HN 0.389 nan 8.180 nan 0.000 0.478 969 D N 0.059 120.568 120.400 0.182 0.000 2.104 969 D HA -0.238 4.392 4.640 -0.017 0.000 0.194 969 D C 2.021 178.297 176.300 -0.040 0.000 0.994 969 D CA 2.203 56.215 54.000 0.021 0.000 0.830 969 D CB -0.274 40.564 40.800 0.064 0.000 0.959 969 D HN 0.254 nan 8.370 nan 0.000 0.452 970 E N -0.534 119.659 120.200 -0.010 0.000 2.106 970 E HA -0.151 4.189 4.350 -0.017 0.000 0.192 970 E C 2.276 178.834 176.600 -0.070 0.000 0.984 970 E CA 0.692 57.075 56.400 -0.028 0.000 0.806 970 E CB -0.244 29.452 29.700 -0.006 0.000 0.750 970 E HN 0.366 nan 8.360 nan 0.000 0.458 971 C N 0.879 120.115 119.300 -0.107 0.000 2.446 971 C HA -0.065 4.384 4.460 -0.017 0.000 0.277 971 C C 2.597 177.452 174.990 -0.225 0.000 1.275 971 C CA 0.407 59.330 59.018 -0.158 0.000 1.727 971 C CB -1.010 26.618 27.740 -0.186 0.000 2.010 971 C HN 0.381 nan 8.230 nan 0.000 0.486 972 L N 0.514 121.532 121.223 -0.341 0.000 2.043 972 L HA -0.213 4.117 4.340 -0.017 0.000 0.212 972 L C 2.732 179.517 176.870 -0.142 0.000 1.075 972 L CA 1.907 56.535 54.840 -0.353 0.000 0.752 972 L CB -0.544 41.259 42.059 -0.427 0.000 0.891 972 L HN 0.421 nan 8.230 nan 0.000 0.432 973 K N -0.480 119.866 120.400 -0.091 0.000 2.021 973 K HA -0.095 4.215 4.320 -0.017 0.000 0.205 973 K C 2.316 178.899 176.600 -0.030 0.000 1.047 973 K CA 1.575 57.844 56.287 -0.030 0.000 0.943 973 K CB -0.168 32.319 32.500 -0.020 0.000 0.725 973 K HN 0.324 nan 8.250 nan 0.000 0.439 974 S N 0.753 116.426 115.700 -0.044 0.000 2.428 974 S HA -0.103 4.357 4.470 -0.017 0.000 0.230 974 S C 2.005 176.583 174.600 -0.037 0.000 1.014 974 S CA 1.272 59.451 58.200 -0.036 0.000 0.957 974 S CB -0.240 62.938 63.200 -0.037 0.000 0.784 974 S HN 0.263 nan 8.310 nan 0.000 0.499 975 S N 0.749 116.418 115.700 -0.051 0.000 2.562 975 S HA 0.097 4.557 4.470 -0.017 0.000 0.221 975 S C 0.615 175.197 174.600 -0.030 0.000 0.975 975 S CA 0.153 58.327 58.200 -0.043 0.000 0.918 975 S CB -0.818 62.349 63.200 -0.055 0.000 0.772 975 S HN 0.578 nan 8.310 nan 0.000 0.531 976 Q N -0.532 119.255 119.800 -0.021 0.000 2.451 976 Q HA -0.282 4.048 4.340 -0.017 0.000 0.305 976 Q C 0.211 176.197 176.000 -0.022 0.000 1.345 976 Q CA 0.713 56.512 55.803 -0.006 0.000 0.854 976 Q CB -2.374 26.358 28.738 -0.011 0.000 1.162 976 Q HN 0.807 nan 8.270 nan 0.000 0.440 977 Y N -0.394 119.784 120.300 -0.203 0.000 2.081 977 Y HA -0.345 4.202 4.550 -0.005 0.000 0.280 977 Y C 1.603 177.340 175.900 -0.272 0.000 1.163 977 Y CA 2.582 60.491 58.100 -0.318 0.000 1.135 977 Y CB -0.288 37.837 38.460 -0.557 0.000 0.970 977 Y HN 0.411 nan 8.280 nan 0.000 0.498 978 Y N -0.713 119.567 120.300 -0.033 0.000 2.242 978 Y HA -0.143 4.393 4.550 -0.024 0.000 0.291 978 Y C 2.637 178.453 175.900 -0.140 0.000 1.137 978 Y CA 0.909 58.947 58.100 -0.103 0.000 1.181 978 Y CB -0.739 37.730 38.460 0.015 0.000 0.989 978 Y HN 0.235 nan 8.280 nan 0.000 0.527 979 A N 0.443 123.288 122.820 0.041 0.000 1.898 979 A HA -0.172 4.138 4.320 -0.017 0.000 0.216 979 A C 2.192 179.737 177.584 -0.066 0.000 1.181 979 A CA 1.448 53.482 52.037 -0.005 0.000 0.620 979 A CB -0.470 18.532 19.000 0.004 0.000 0.819 979 A HN 0.361 nan 8.150 nan 0.000 0.442 980 R N -0.642 119.783 120.500 -0.124 0.000 2.148 980 R HA -0.075 4.255 4.340 -0.017 0.000 0.223 980 R C 2.250 178.430 176.300 -0.200 0.000 1.088 980 R CA 1.328 57.338 56.100 -0.149 0.000 0.985 980 R CB -0.218 29.990 30.300 -0.154 0.000 0.880 980 R HN 0.603 nan 8.270 nan 0.000 0.451 981 K N 0.552 120.763 120.400 -0.315 0.000 2.057 981 K HA -0.105 4.205 4.320 -0.017 0.000 0.207 981 K C 1.948 178.472 176.600 -0.127 0.000 1.049 981 K CA 1.727 57.835 56.287 -0.297 0.000 0.931 981 K CB 0.072 32.325 32.500 -0.411 0.000 0.714 981 K HN -0.015 nan 8.250 nan 0.000 0.440 982 S N 1.037 116.689 115.700 -0.080 0.000 2.382 982 S HA -0.104 4.356 4.470 -0.017 0.000 0.228 982 S C 1.565 176.155 174.600 -0.017 0.000 1.027 982 S CA 1.124 59.305 58.200 -0.031 0.000 0.991 982 S CB -0.180 63.012 63.200 -0.014 0.000 0.823 982 S HN 0.348 nan 8.310 nan 0.000 0.469 983 E N 0.905 121.089 120.200 -0.026 0.000 2.106 983 E HA -0.028 4.312 4.350 -0.017 0.000 0.192 983 E C 2.291 178.910 176.600 0.032 0.000 0.984 983 E CA 0.569 56.971 56.400 0.004 0.000 0.806 983 E CB -0.552 29.141 29.700 -0.011 0.000 0.750 983 E HN 0.328 nan 8.360 nan 0.000 0.458 984 V N 2.346 122.250 119.914 -0.016 0.000 2.295 984 V HA -0.252 3.858 4.120 -0.017 0.000 0.246 984 V C 1.835 177.966 176.094 0.062 0.000 1.049 984 V CA 2.071 64.370 62.300 -0.001 0.000 1.024 984 V CB -0.488 31.295 31.823 -0.067 0.000 0.648 984 V HN 0.127 nan 8.190 nan 0.000 0.447 985 D N -0.183 120.231 120.400 0.024 0.000 2.104 985 D HA -0.206 4.424 4.640 -0.017 0.000 0.194 985 D C 2.136 178.462 176.300 0.043 0.000 0.994 985 D CA 1.528 55.545 54.000 0.028 0.000 0.830 985 D CB -0.272 40.532 40.800 0.007 0.000 0.959 985 D HN 0.409 nan 8.370 nan 0.000 0.452 986 K N -0.289 120.139 120.400 0.047 0.000 2.032 986 K HA -0.172 4.137 4.320 -0.017 0.000 0.209 986 K C 2.198 178.834 176.600 0.060 0.000 1.048 986 K CA 0.847 57.158 56.287 0.040 0.000 0.927 986 K CB -0.359 32.164 32.500 0.038 0.000 0.712 986 K HN 0.060 nan 8.250 nan 0.000 0.441 987 F N 2.222 122.155 119.950 -0.030 0.000 2.095 987 F HA -0.262 4.246 4.527 -0.032 0.000 0.298 987 F C 1.786 177.568 175.800 -0.031 0.000 1.104 987 F CA 1.798 59.782 58.000 -0.025 0.000 1.232 987 F CB -0.217 38.770 39.000 -0.022 0.000 0.987 987 F HN 0.161 nan 8.300 nan 0.000 0.475 988 N N 0.532 119.347 118.700 0.191 0.000 2.309 988 N HA -0.128 4.602 4.740 -0.017 0.000 0.182 988 N C 1.617 177.091 175.510 -0.061 0.000 1.018 988 N CA 1.106 54.203 53.050 0.078 0.000 0.876 988 N CB -0.320 38.220 38.487 0.089 0.000 0.972 988 N HN 0.368 nan 8.380 nan 0.000 0.434 989 K N 0.794 121.160 120.400 -0.057 0.000 2.097 989 K HA -0.036 4.274 4.320 -0.017 0.000 0.205 989 K C 1.299 177.824 176.600 -0.126 0.000 1.050 989 K CA 1.009 57.247 56.287 -0.081 0.000 0.938 989 K CB 0.087 32.556 32.500 -0.052 0.000 0.718 989 K HN 0.323 nan 8.250 nan 0.000 0.442 990 E N -0.142 119.951 120.200 -0.178 0.000 2.472 990 E HA 0.077 4.417 4.350 -0.017 0.000 0.196 990 E C -0.264 176.167 176.600 -0.282 0.000 1.033 990 E CA -0.014 56.259 56.400 -0.211 0.000 0.886 990 E CB 0.399 29.974 29.700 -0.209 0.000 0.944 990 E HN 0.211 nan 8.360 nan 0.000 0.492 991 N N -0.168 118.322 118.700 -0.350 0.000 2.296 991 N HA 0.143 4.873 4.740 -0.017 0.000 0.294 991 N C -0.313 175.063 175.510 -0.224 0.000 1.033 991 N CA -0.337 52.517 53.050 -0.327 0.000 0.839 991 N CB 1.988 40.136 38.487 -0.565 0.000 1.395 991 N HN -0.017 nan 8.380 nan 0.000 0.479 992 C N 0.193 119.369 119.300 -0.207 0.000 2.518 992 C HA 0.110 4.560 4.460 -0.017 0.000 0.283 992 C C 1.493 176.236 174.990 -0.411 0.000 1.351 992 C CA -0.041 58.735 59.018 -0.403 0.000 1.745 992 C CB -0.616 26.800 27.740 -0.539 0.000 2.107 992 C HN 0.811 nan 8.230 nan 0.000 0.502 993 W N 1.051 122.412 121.300 0.101 0.000 3.005 993 W HA 0.317 4.979 4.660 0.003 0.000 0.374 993 W C 0.501 177.084 176.519 0.105 0.000 1.076 993 W CA -0.210 57.213 57.345 0.131 0.000 1.794 993 W CB 0.345 29.866 29.460 0.101 0.000 1.113 993 W HN 0.048 nan 8.180 nan 0.000 0.584 994 K N 1.121 121.677 120.400 0.261 0.000 2.426 994 K HA 0.492 4.802 4.320 -0.017 0.000 0.251 994 K C -0.372 176.423 176.600 0.326 0.000 0.941 994 K CA -0.967 55.489 56.287 0.282 0.000 0.808 994 K CB 2.400 35.104 32.500 0.341 0.000 1.265 994 K HN -0.440 nan 8.250 nan 0.000 0.432 995 K N 2.030 122.608 120.400 0.298 0.000 2.502 995 K HA 0.452 4.762 4.320 -0.017 0.000 0.257 995 K C -0.800 175.861 176.600 0.103 0.000 0.938 995 K CA -0.802 55.645 56.287 0.266 0.000 0.819 995 K CB 2.513 35.087 32.500 0.122 0.000 1.333 995 K HN 0.529 nan 8.250 nan 0.000 0.434 996 R N -0.175 120.341 120.500 0.027 0.000 2.668 996 R HA 0.726 5.056 4.340 -0.017 0.000 0.279 996 R C 0.070 176.337 176.300 -0.056 0.000 0.976 996 R CA -0.795 55.217 56.100 -0.145 0.000 0.978 996 R CB 1.806 31.889 30.300 -0.362 0.000 1.133 996 R HN 0.770 nan 8.270 nan 0.000 0.484 997 G N 0.949 109.707 108.800 -0.069 0.000 2.660 997 G HA2 0.613 4.563 3.960 -0.017 0.000 0.294 997 G HA3 0.613 4.563 3.960 -0.017 0.000 0.294 997 G C -2.068 172.808 174.900 -0.039 0.000 1.369 997 G CA -0.441 44.637 45.100 -0.036 0.000 0.912 997 G HN 0.379 nan 8.290 nan 0.000 0.479 998 L N 0.427 121.643 121.223 -0.012 0.000 2.493 998 L HA 0.794 5.124 4.340 -0.017 0.000 0.265 998 L C -1.137 175.787 176.870 0.091 0.000 0.954 998 L CA -0.507 54.334 54.840 0.003 0.000 0.844 998 L CB 1.693 43.700 42.059 -0.086 0.000 1.302 998 L HN 0.821 nan 8.230 nan 0.000 0.405 999 C N 5.283 124.659 119.300 0.128 0.000 2.985 999 C HA 0.719 5.169 4.460 -0.017 0.000 0.314 999 C C -1.139 173.905 174.990 0.090 0.000 1.215 999 C CA -0.763 58.346 59.018 0.151 0.000 1.414 999 C CB 1.323 29.155 27.740 0.154 0.000 1.842 999 C HN 0.921 nan 8.230 nan 0.000 0.477 1000 I N 5.920 126.478 120.570 -0.020 0.000 2.436 1000 I HA 0.676 4.836 4.170 -0.017 0.000 0.289 1000 I C -1.425 174.687 176.117 -0.008 0.000 1.010 1000 I CA -0.508 60.676 61.300 -0.193 0.000 1.098 1000 I CB 1.000 38.576 38.000 -0.706 0.000 1.266 1000 I HN 0.500 nan 8.210 nan 0.000 0.434 1001 I N 9.216 129.842 120.570 0.094 0.000 2.533 1001 I HA 0.524 4.684 4.170 -0.017 0.000 0.290 1001 I C -2.545 173.769 176.117 0.329 0.000 1.056 1001 I CA -2.109 59.329 61.300 0.230 0.000 1.057 1001 I CB 2.117 40.174 38.000 0.095 0.000 1.240 1001 I HN 0.360 nan 8.210 nan 0.000 0.423 1002 P HA 0.505 nan 4.420 nan 0.000 0.285 1002 P C -0.751 176.725 177.300 0.294 0.000 1.285 1002 P CA -0.454 62.843 63.100 0.329 0.000 0.854 1002 P CB 2.502 34.325 31.700 0.206 0.000 1.180 1003 T N -1.170 113.550 114.554 0.277 0.000 2.932 1003 T HA 0.526 4.866 4.350 -0.017 0.000 0.318 1003 T C -1.586 173.296 174.700 0.304 0.000 1.265 1003 T CA -0.714 61.570 62.100 0.307 0.000 1.036 1003 T CB 0.987 70.127 68.868 0.452 0.000 1.209 1003 T HN 0.644 nan 8.240 nan 0.000 0.484 1004 K N 2.372 122.951 120.400 0.298 0.000 2.375 1004 K HA 0.776 5.086 4.320 -0.017 0.000 0.249 1004 K C -1.931 174.887 176.600 0.362 0.000 0.942 1004 K CA -0.863 55.611 56.287 0.311 0.000 0.806 1004 K CB 2.031 34.752 32.500 0.369 0.000 1.227 1004 K HN 0.435 nan 8.250 nan 0.000 0.430 1005 F N 1.299 121.314 119.950 0.108 0.000 2.562 1005 F HA 0.438 4.955 4.527 -0.017 0.000 0.319 1005 F C -0.221 175.509 175.800 -0.115 0.000 1.154 1005 F CA -0.285 57.764 58.000 0.082 0.000 0.931 1005 F CB 2.039 41.002 39.000 -0.061 0.000 1.198 1005 F HN 0.818 nan 8.300 nan 0.000 0.444 1006 G N 6.318 114.698 108.800 -0.701 0.000 2.378 1006 G HA2 0.433 4.383 3.960 -0.017 0.000 0.255 1006 G HA3 0.433 4.383 3.960 -0.017 0.000 0.255 1006 G C -0.772 173.361 174.900 -1.277 0.000 1.270 1006 G CA -0.425 43.573 45.100 -1.837 0.000 0.876 1006 G HN 0.475 nan 8.290 nan 0.000 0.521 1007 I N 1.603 121.621 120.570 -0.920 0.000 2.328 1007 I HA 0.516 4.676 4.170 -0.017 0.000 0.287 1007 I C 0.231 176.159 176.117 -0.314 0.000 1.012 1007 I CA -0.244 60.712 61.300 -0.574 0.000 1.195 1007 I CB 0.040 37.463 38.000 -0.962 0.000 1.350 1007 I HN 0.443 nan 8.210 nan 0.000 0.464 1008 S N 4.622 120.217 115.700 -0.174 0.000 2.866 1008 S HA 0.170 4.630 4.470 -0.017 0.000 0.267 1008 S C -0.729 173.798 174.600 -0.122 0.000 0.760 1008 S CA -0.935 57.191 58.200 -0.122 0.000 0.946 1008 S CB 0.089 63.254 63.200 -0.058 0.000 1.191 1008 S HN 0.301 nan 8.310 nan 0.000 0.521 1009 F N 2.265 122.149 119.950 -0.111 0.000 2.578 1009 F HA 0.125 4.642 4.527 -0.016 0.000 0.376 1009 F C 2.315 178.035 175.800 -0.133 0.000 1.085 1009 F CA 0.855 58.773 58.000 -0.138 0.000 1.260 1009 F CB 0.671 39.563 39.000 -0.179 0.000 1.095 1009 F HN 0.784 nan 8.300 nan 0.000 0.573 1010 T N -0.963 113.661 114.554 0.118 0.000 3.072 1010 T HA 0.003 4.343 4.350 -0.017 0.000 0.266 1010 T C 0.490 175.227 174.700 0.063 0.000 1.127 1010 T CA 0.193 62.324 62.100 0.051 0.000 1.107 1010 T CB -0.464 68.546 68.868 0.236 0.000 0.910 1010 T HN 0.194 nan 8.240 nan 0.000 0.513 1011 V N 3.859 123.782 119.914 0.015 0.000 2.353 1011 V HA 0.226 4.336 4.120 -0.017 0.000 0.264 1011 V C -1.275 174.661 176.094 -0.263 0.000 1.049 1011 V CA -1.705 60.492 62.300 -0.172 0.000 0.896 1011 V CB 1.241 32.832 31.823 -0.387 0.000 1.025 1011 V HN 0.161 nan 8.190 nan 0.000 0.475 1012 P HA -0.211 nan 4.420 nan 0.000 0.216 1012 P C 1.613 178.854 177.300 -0.098 0.000 1.157 1012 P CA 1.522 64.569 63.100 -0.089 0.000 0.880 1012 P CB -0.031 31.661 31.700 -0.013 0.000 0.791 1013 F N -1.279 118.643 119.950 -0.046 0.000 2.408 1013 F HA -0.035 4.482 4.527 -0.016 0.000 0.300 1013 F C 1.546 177.267 175.800 -0.131 0.000 1.090 1013 F CA 0.886 58.844 58.000 -0.069 0.000 1.427 1013 F CB -1.814 37.156 39.000 -0.050 0.000 1.070 1013 F HN -0.171 nan 8.300 nan 0.000 0.549 1014 L N 0.617 121.588 121.223 -0.421 0.000 2.552 1014 L HA 0.010 4.340 4.340 -0.017 0.000 0.227 1014 L C 0.637 177.326 176.870 -0.301 0.000 1.146 1014 L CA 0.307 54.832 54.840 -0.525 0.000 0.858 1014 L CB -0.712 40.565 42.059 -1.303 0.000 0.969 1014 L HN 0.143 nan 8.230 nan 0.000 0.451 1015 N N 2.474 121.119 118.700 -0.092 0.000 3.245 1015 N HA 0.075 4.805 4.740 -0.017 0.000 0.296 1015 N C -0.468 174.955 175.510 -0.145 0.000 1.254 1015 N CA 0.129 53.175 53.050 -0.006 0.000 1.190 1015 N CB 0.362 38.832 38.487 -0.029 0.000 1.460 1015 N HN 0.510 nan 8.380 nan 0.000 0.538 1016 Q N -0.860 118.844 119.800 -0.160 0.000 2.379 1016 Q HA 0.821 5.151 4.340 -0.017 0.000 0.278 1016 Q C -1.840 173.964 176.000 -0.327 0.000 1.068 1016 Q CA -1.263 54.351 55.803 -0.315 0.000 0.816 1016 Q CB 2.266 30.933 28.738 -0.119 0.000 1.387 1016 Q HN 0.079 nan 8.270 nan 0.000 0.413 1017 A N 0.809 123.295 122.820 -0.556 0.000 2.547 1017 A HA 0.878 5.188 4.320 -0.017 0.000 0.297 1017 A C -0.819 176.677 177.584 -0.147 0.000 1.056 1017 A CA -0.163 51.685 52.037 -0.315 0.000 0.688 1017 A CB 1.908 20.561 19.000 -0.579 0.000 1.282 1017 A HN 0.913 nan 8.150 nan 0.000 0.400 1018 G N -0.197 108.764 108.800 0.267 0.000 2.453 1018 G HA2 0.866 4.816 3.960 -0.017 0.000 0.323 1018 G HA3 0.866 4.816 3.960 -0.017 0.000 0.323 1018 G C -0.428 174.674 174.900 0.337 0.000 1.198 1018 G CA 0.024 45.342 45.100 0.363 0.000 0.959 1018 G HN 1.841 nan 8.290 nan 0.000 0.482 1019 A N 0.007 122.981 122.820 0.256 0.000 2.527 1019 A HA 0.842 5.152 4.320 -0.017 0.000 0.293 1019 A C -1.795 175.849 177.584 0.100 0.000 1.117 1019 A CA -0.651 51.497 52.037 0.185 0.000 0.723 1019 A CB 2.156 21.263 19.000 0.178 0.000 1.313 1019 A HN 1.459 nan 8.150 nan 0.000 0.411 1020 L N 1.566 122.800 121.223 0.019 0.000 2.476 1020 L HA 0.710 5.040 4.340 -0.017 0.000 0.269 1020 L C -1.810 174.931 176.870 -0.216 0.000 0.965 1020 L CA -0.279 54.511 54.840 -0.084 0.000 0.845 1020 L CB 1.644 43.644 42.059 -0.099 0.000 1.259 1020 L HN 0.542 nan 8.230 nan 0.000 0.403 1021 I N 4.330 124.762 120.570 -0.230 0.000 2.509 1021 I HA 0.508 4.668 4.170 -0.017 0.000 0.293 1021 I C -0.581 175.365 176.117 -0.285 0.000 1.020 1021 I CA -0.588 60.577 61.300 -0.225 0.000 1.088 1021 I CB 1.712 39.684 38.000 -0.047 0.000 1.267 1021 I HN 0.565 nan 8.210 nan 0.000 0.430 1022 H N 4.567 123.592 119.070 -0.076 0.000 2.538 1022 H HA 0.602 5.148 4.556 -0.017 0.000 0.353 1022 H C -0.786 174.384 175.328 -0.263 0.000 1.109 1022 H CA -0.758 55.146 56.048 -0.240 0.000 1.192 1022 H CB 2.618 32.098 29.762 -0.470 0.000 1.555 1022 H HN 0.188 nan 8.280 nan 0.000 0.518 1023 V N 4.331 124.178 119.914 -0.111 0.000 2.384 1023 V HA 0.209 4.319 4.120 -0.017 0.000 0.287 1023 V C -0.302 175.675 176.094 -0.195 0.000 1.020 1023 V CA -0.777 61.497 62.300 -0.044 0.000 0.850 1023 V CB 0.253 32.120 31.823 0.072 0.000 0.987 1023 V HN 0.584 nan 8.190 nan 0.000 0.436 1024 Y N 1.870 122.215 120.300 0.074 0.000 2.334 1024 Y HA 0.219 4.759 4.550 -0.017 0.000 0.325 1024 Y C 2.098 177.956 175.900 -0.070 0.000 1.308 1024 Y CA 0.158 58.251 58.100 -0.012 0.000 1.389 1024 Y CB 0.900 39.356 38.460 -0.007 0.000 1.328 1024 Y HN 0.739 nan 8.280 nan 0.000 0.532 1025 T N -3.436 111.130 114.554 0.020 0.000 3.113 1025 T HA -0.133 4.207 4.350 -0.017 0.000 0.263 1025 T C 0.762 175.421 174.700 -0.068 0.000 1.143 1025 T CA 1.012 63.034 62.100 -0.131 0.000 1.090 1025 T CB -0.356 68.303 68.868 -0.347 0.000 0.922 1025 T HN 0.732 nan 8.240 nan 0.000 0.521 1026 D N 0.603 121.009 120.400 0.008 0.000 2.340 1026 D HA 0.198 4.828 4.640 -0.017 0.000 0.220 1026 D C 1.689 178.034 176.300 0.076 0.000 1.039 1026 D CA 0.518 54.529 54.000 0.019 0.000 0.866 1026 D CB -0.645 40.165 40.800 0.017 0.000 0.913 1026 D HN 0.536 nan 8.370 nan 0.000 0.523 1027 G N 0.592 109.452 108.800 0.100 0.000 2.225 1027 G HA2 -0.315 3.635 3.960 -0.017 0.000 0.254 1027 G HA3 -0.315 3.635 3.960 -0.017 0.000 0.254 1027 G C 0.444 175.619 174.900 0.458 0.000 0.988 1027 G CA 0.502 45.758 45.100 0.259 0.000 0.625 1027 G HN 0.854 nan 8.290 nan 0.000 0.527 1028 S N -0.407 115.468 115.700 0.291 0.000 2.572 1028 S HA 0.613 5.073 4.470 -0.017 0.000 0.279 1028 S C 0.087 174.892 174.600 0.341 0.000 1.341 1028 S CA 0.065 58.430 58.200 0.275 0.000 1.043 1028 S CB 2.267 65.578 63.200 0.185 0.000 0.887 1028 S HN 1.155 nan 8.310 nan 0.000 0.516 1029 V N 3.412 123.494 119.914 0.281 0.000 2.495 1029 V HA 0.530 4.640 4.120 -0.017 0.000 0.298 1029 V C -0.525 175.715 176.094 0.242 0.000 1.031 1029 V CA -0.864 61.582 62.300 0.243 0.000 0.871 1029 V CB 1.323 33.259 31.823 0.188 0.000 0.988 1029 V HN 0.883 nan 8.190 nan 0.000 0.432 1030 L N 6.171 127.535 121.223 0.234 0.000 2.305 1030 L HA 0.691 5.021 4.340 -0.017 0.000 0.284 1030 L C -0.475 176.430 176.870 0.058 0.000 1.013 1030 L CA 0.024 54.998 54.840 0.225 0.000 0.819 1030 L CB 1.666 43.960 42.059 0.391 0.000 1.227 1030 L HN 0.462 nan 8.230 nan 0.000 0.417 1031 V N 3.894 123.820 119.914 0.019 0.000 2.472 1031 V HA 0.660 4.770 4.120 -0.017 0.000 0.290 1031 V C 0.021 176.066 176.094 -0.082 0.000 1.037 1031 V CA -0.416 61.867 62.300 -0.028 0.000 0.908 1031 V CB 1.595 33.428 31.823 0.017 0.000 0.985 1031 V HN 0.842 nan 8.190 nan 0.000 0.454 1032 S N 4.004 119.651 115.700 -0.089 0.000 2.521 1032 S HA 0.714 5.174 4.470 -0.017 0.000 0.295 1032 S C -0.887 173.681 174.600 -0.054 0.000 1.098 1032 S CA -0.628 57.489 58.200 -0.140 0.000 0.999 1032 S CB 0.756 63.884 63.200 -0.120 0.000 1.034 1032 S HN 1.048 nan 8.310 nan 0.000 0.483 1033 H N 0.886 119.896 119.070 -0.101 0.000 2.977 1033 H HA 0.463 5.009 4.556 -0.017 0.000 0.350 1033 H C 0.803 176.002 175.328 -0.215 0.000 1.238 1033 H CA -0.549 55.445 56.048 -0.090 0.000 1.124 1033 H CB 1.080 30.804 29.762 -0.064 0.000 1.866 1033 H HN 0.678 nan 8.280 nan 0.000 0.550 1034 G N -0.112 108.598 108.800 -0.150 0.000 2.598 1034 G HA2 0.099 4.049 3.960 -0.017 0.000 0.215 1034 G HA3 0.099 4.049 3.960 -0.017 0.000 0.215 1034 G C 0.672 175.275 174.900 -0.495 0.000 1.131 1034 G CA 0.386 45.374 45.100 -0.187 0.000 0.785 1034 G HN 0.800 nan 8.290 nan 0.000 0.539 1035 G N -0.297 107.982 108.800 -0.868 0.000 2.476 1035 G HA2 0.481 4.431 3.960 -0.017 0.000 0.286 1035 G HA3 0.481 4.431 3.960 -0.017 0.000 0.286 1035 G C -0.106 174.677 174.900 -0.195 0.000 1.177 1035 G CA 0.238 45.036 45.100 -0.504 0.000 0.870 1035 G HN 0.354 nan 8.290 nan 0.000 0.528 1036 T N -1.618 112.863 114.554 -0.120 0.000 2.888 1036 T HA 0.557 4.897 4.350 -0.017 0.000 0.284 1036 T C -0.471 174.092 174.700 -0.228 0.000 1.017 1036 T CA -0.795 61.223 62.100 -0.136 0.000 1.022 1036 T CB 2.270 71.083 68.868 -0.092 0.000 1.013 1036 T HN 0.453 nan 8.240 nan 0.000 0.465 1037 E N 2.660 122.658 120.200 -0.336 0.000 2.167 1037 E HA 0.406 4.746 4.350 -0.017 0.000 0.284 1037 E C 0.421 176.934 176.600 -0.146 0.000 1.016 1037 E CA -0.631 55.565 56.400 -0.340 0.000 0.817 1037 E CB 0.710 30.154 29.700 -0.428 0.000 1.080 1037 E HN 0.783 nan 8.360 nan 0.000 0.397 1038 M N 2.498 122.028 119.600 -0.115 0.000 2.504 1038 M HA 0.490 4.960 4.480 -0.017 0.000 0.370 1038 M C 0.785 177.032 176.300 -0.088 0.000 1.110 1038 M CA 0.118 55.346 55.300 -0.120 0.000 0.938 1038 M CB 0.778 33.256 32.600 -0.203 0.000 1.460 1038 M HN 0.588 nan 8.290 nan 0.000 0.535 1039 G N 1.685 110.495 108.800 0.015 0.000 2.231 1039 G HA2 -0.250 3.700 3.960 -0.017 0.000 0.206 1039 G HA3 -0.250 3.700 3.960 -0.017 0.000 0.206 1039 G C 0.821 175.801 174.900 0.134 0.000 0.996 1039 G CA 0.357 45.500 45.100 0.072 0.000 0.645 1039 G HN 0.607 nan 8.290 nan 0.000 0.498 1040 Q N 1.555 121.396 119.800 0.068 0.000 2.472 1040 Q HA 0.319 4.649 4.340 -0.017 0.000 0.208 1040 Q C 1.572 177.604 176.000 0.053 0.000 0.958 1040 Q CA 1.419 57.258 55.803 0.060 0.000 0.932 1040 Q CB -0.349 28.398 28.738 0.015 0.000 1.007 1040 Q HN 1.948 nan 8.270 nan 0.000 0.508 1041 G N 1.853 110.676 108.800 0.039 0.000 2.182 1041 G HA2 -0.289 3.661 3.960 -0.017 0.000 0.248 1041 G HA3 -0.289 3.661 3.960 -0.017 0.000 0.248 1041 G C 0.314 175.125 174.900 -0.148 0.000 1.042 1041 G CA 0.405 45.413 45.100 -0.154 0.000 0.775 1041 G HN 0.406 nan 8.290 nan 0.000 0.501 1042 L N -0.035 121.104 121.223 -0.140 0.000 2.017 1042 L HA 0.053 4.383 4.340 -0.017 0.000 0.208 1042 L C 2.583 179.431 176.870 -0.036 0.000 1.073 1042 L CA 2.853 57.633 54.840 -0.100 0.000 0.745 1042 L CB -0.473 41.522 42.059 -0.108 0.000 0.894 1042 L HN 0.401 nan 8.230 nan 0.000 0.432 1043 H N -0.828 118.211 119.070 -0.052 0.000 2.353 1043 H HA -0.096 4.450 4.556 -0.017 0.000 0.300 1043 H C 2.163 177.431 175.328 -0.099 0.000 1.090 1043 H CA 1.777 57.803 56.048 -0.036 0.000 1.327 1043 H CB -1.072 28.644 29.762 -0.078 0.000 1.383 1043 H HN 0.359 nan 8.280 nan 0.000 0.508 1044 T N 1.418 115.931 114.554 -0.069 0.000 2.635 1044 T HA -0.170 4.170 4.350 -0.017 0.000 0.267 1044 T C 2.016 176.691 174.700 -0.040 0.000 1.040 1044 T CA 1.791 63.832 62.100 -0.098 0.000 1.156 1044 T CB -0.076 68.673 68.868 -0.199 0.000 0.863 1044 T HN 0.383 nan 8.240 nan 0.000 0.430 1045 K N 0.311 120.688 120.400 -0.039 0.000 2.097 1045 K HA 0.014 4.324 4.320 -0.017 0.000 0.206 1045 K C 2.377 178.979 176.600 0.004 0.000 1.049 1045 K CA 1.036 57.316 56.287 -0.012 0.000 0.933 1045 K CB -0.146 32.346 32.500 -0.012 0.000 0.717 1045 K HN 0.248 nan 8.250 nan 0.000 0.442 1046 M N 0.344 119.942 119.600 -0.002 0.000 2.175 1046 M HA -0.096 4.374 4.480 -0.017 0.000 0.264 1046 M C 2.241 178.556 176.300 0.025 0.000 1.063 1046 M CA 1.178 56.474 55.300 -0.007 0.000 1.119 1046 M CB -0.580 31.983 32.600 -0.061 0.000 1.377 1046 M HN -0.064 nan 8.290 nan 0.000 0.415 1047 V N 0.412 120.339 119.914 0.021 0.000 2.358 1047 V HA -0.264 3.846 4.120 -0.017 0.000 0.246 1047 V C 2.411 178.513 176.094 0.013 0.000 1.047 1047 V CA 1.539 63.848 62.300 0.014 0.000 1.035 1047 V CB -0.692 31.133 31.823 0.004 0.000 0.658 1047 V HN 0.511 nan 8.190 nan 0.000 0.452 1048 Q N -0.642 119.165 119.800 0.011 0.000 2.084 1048 Q HA -0.178 4.152 4.340 -0.017 0.000 0.202 1048 Q C 2.361 178.381 176.000 0.034 0.000 0.978 1048 Q CA 1.872 57.678 55.803 0.005 0.000 0.844 1048 Q CB -0.321 28.416 28.738 -0.002 0.000 0.898 1048 Q HN 0.541 nan 8.270 nan 0.000 0.426 1049 V N 0.974 120.941 119.914 0.089 0.000 2.261 1049 V HA -0.298 3.811 4.120 -0.017 0.000 0.246 1049 V C 2.309 178.515 176.094 0.186 0.000 1.047 1049 V CA 1.906 64.333 62.300 0.213 0.000 1.015 1049 V CB -1.055 30.888 31.823 0.200 0.000 0.642 1049 V HN 0.415 nan 8.190 nan 0.000 0.446 1050 A N -0.337 122.543 122.820 0.099 0.000 1.883 1050 A HA -0.280 4.030 4.320 -0.017 0.000 0.217 1050 A C 2.592 180.184 177.584 0.014 0.000 1.186 1050 A CA 2.515 54.588 52.037 0.059 0.000 0.624 1050 A CB -0.951 18.070 19.000 0.035 0.000 0.822 1050 A HN 0.543 nan 8.150 nan 0.000 0.444 1051 S N -0.311 115.382 115.700 -0.011 0.000 2.359 1051 S HA -0.267 4.193 4.470 -0.017 0.000 0.224 1051 S C 2.141 176.711 174.600 -0.050 0.000 1.035 1051 S CA 2.127 60.291 58.200 -0.060 0.000 1.018 1051 S CB -0.366 62.801 63.200 -0.055 0.000 0.876 1051 S HN 0.626 nan 8.310 nan 0.000 0.448 1052 K N 0.591 120.980 120.400 -0.019 0.000 2.026 1052 K HA -0.028 4.282 4.320 -0.017 0.000 0.208 1052 K C 2.266 178.899 176.600 0.056 0.000 1.048 1052 K CA 1.291 57.556 56.287 -0.036 0.000 0.929 1052 K CB -0.682 31.715 32.500 -0.171 0.000 0.713 1052 K HN 0.421 nan 8.250 nan 0.000 0.439 1053 A N 1.105 124.020 122.820 0.159 0.000 1.883 1053 A HA -0.121 4.189 4.320 -0.017 0.000 0.217 1053 A C 2.057 179.664 177.584 0.038 0.000 1.186 1053 A CA 1.476 53.607 52.037 0.158 0.000 0.624 1053 A CB -0.572 18.495 19.000 0.112 0.000 0.822 1053 A HN 0.361 nan 8.150 nan 0.000 0.444 1054 L N -1.534 119.682 121.223 -0.011 0.000 2.492 1054 L HA 0.036 4.366 4.340 -0.017 0.000 0.223 1054 L C 0.149 176.966 176.870 -0.087 0.000 1.132 1054 L CA 0.346 55.154 54.840 -0.054 0.000 0.850 1054 L CB -0.159 41.798 42.059 -0.169 0.000 0.966 1054 L HN 0.357 nan 8.230 nan 0.000 0.454 1055 K N 1.354 121.713 120.400 -0.069 0.000 3.150 1055 K HA -0.184 4.126 4.320 -0.017 0.000 0.267 1055 K C -0.368 176.147 176.600 -0.141 0.000 1.028 1055 K CA 0.660 56.915 56.287 -0.053 0.000 0.753 1055 K CB -2.116 30.407 32.500 0.038 0.000 1.288 1055 K HN 0.525 nan 8.250 nan 0.000 0.473 1056 I N -4.241 116.175 120.570 -0.256 0.000 2.934 1056 I HA 0.639 4.799 4.170 -0.017 0.000 0.306 1056 I C -2.688 173.299 176.117 -0.217 0.000 1.110 1056 I CA -3.251 57.842 61.300 -0.345 0.000 1.019 1056 I CB 2.251 39.800 38.000 -0.752 0.000 1.227 1056 I HN -0.290 nan 8.210 nan 0.000 0.434 1057 P HA 0.204 nan 4.420 nan 0.000 0.269 1057 P C 1.144 178.389 177.300 -0.091 0.000 1.209 1057 P CA -0.302 62.735 63.100 -0.105 0.000 0.776 1057 P CB 0.577 32.230 31.700 -0.079 0.000 0.876 1058 I N 0.175 120.712 120.570 -0.055 0.000 2.399 1058 I HA -0.272 3.888 4.170 -0.017 0.000 0.254 1058 I C 1.610 177.723 176.117 -0.005 0.000 1.146 1058 I CA 2.146 63.430 61.300 -0.027 0.000 1.412 1058 I CB -1.106 36.887 38.000 -0.012 0.000 1.076 1058 I HN 0.258 nan 8.210 nan 0.000 0.432 1059 S N 1.190 116.882 115.700 -0.012 0.000 2.469 1059 S HA -0.114 4.346 4.470 -0.017 0.000 0.238 1059 S C 1.761 176.366 174.600 0.009 0.000 0.998 1059 S CA 0.856 59.058 58.200 0.003 0.000 0.957 1059 S CB -0.518 62.677 63.200 -0.008 0.000 0.764 1059 S HN 0.627 nan 8.310 nan 0.000 0.514 1060 K N 0.219 120.611 120.400 -0.013 0.000 2.393 1060 K HA 0.354 4.664 4.320 -0.017 0.000 0.193 1060 K C -0.138 176.494 176.600 0.054 0.000 1.026 1060 K CA 0.184 56.474 56.287 0.004 0.000 1.064 1060 K CB 0.107 32.563 32.500 -0.074 0.000 0.833 1060 K HN 0.459 nan 8.250 nan 0.000 0.521 1061 I N 0.114 120.719 120.570 0.059 0.000 2.530 1061 I HA 0.268 4.428 4.170 -0.017 0.000 0.297 1061 I C -1.023 175.208 176.117 0.189 0.000 1.011 1061 I CA -1.244 60.116 61.300 0.100 0.000 1.107 1061 I CB 1.328 39.352 38.000 0.040 0.000 1.285 1061 I HN -0.153 nan 8.210 nan 0.000 0.436 1062 Y N 5.787 126.102 120.300 0.024 0.000 2.504 1062 Y HA 0.663 5.203 4.550 -0.017 0.000 0.344 1062 Y C -1.378 174.508 175.900 -0.022 0.000 1.023 1062 Y CA -1.015 57.088 58.100 0.006 0.000 1.020 1062 Y CB 1.697 40.168 38.460 0.019 0.000 1.282 1062 Y HN 0.342 nan 8.280 nan 0.000 0.454 1063 I N 4.197 124.382 120.570 -0.642 0.000 2.418 1063 I HA 0.265 4.425 4.170 -0.017 0.000 0.287 1063 I C 0.385 175.949 176.117 -0.922 0.000 1.008 1063 I CA -0.333 60.593 61.300 -0.624 0.000 1.104 1063 I CB 2.135 39.768 38.000 -0.611 0.000 1.264 1063 I HN 0.697 nan 8.210 nan 0.000 0.438 1064 S N 5.055 120.431 115.700 -0.541 0.000 2.412 1064 S HA 0.147 4.607 4.470 -0.017 0.000 0.223 1064 S C 0.334 174.799 174.600 -0.226 0.000 1.048 1064 S CA 0.746 58.762 58.200 -0.307 0.000 0.954 1064 S CB 0.249 63.463 63.200 0.024 0.000 0.840 1064 S HN 0.830 nan 8.310 nan 0.000 0.503 1065 E N -1.324 118.732 120.200 -0.240 0.000 2.429 1065 E HA 0.320 4.660 4.350 -0.017 0.000 0.277 1065 E C -1.702 174.786 176.600 -0.186 0.000 1.130 1065 E CA -1.000 55.314 56.400 -0.144 0.000 0.875 1065 E CB 0.520 30.195 29.700 -0.042 0.000 1.443 1065 E HN -0.008 nan 8.360 nan 0.000 0.444 1066 T N 1.170 115.652 114.554 -0.119 0.000 2.797 1066 T HA 0.668 5.008 4.350 -0.017 0.000 0.279 1066 T C -0.870 173.769 174.700 -0.103 0.000 0.991 1066 T CA -0.427 61.582 62.100 -0.152 0.000 0.979 1066 T CB 1.157 69.942 68.868 -0.139 0.000 0.943 1066 T HN 0.617 nan 8.240 nan 0.000 0.444 1067 S N 0.179 115.821 115.700 -0.098 0.000 2.533 1067 S HA 0.402 4.862 4.470 -0.017 0.000 0.271 1067 S C 0.937 175.502 174.600 -0.058 0.000 1.143 1067 S CA -0.645 57.510 58.200 -0.076 0.000 0.891 1067 S CB 1.371 64.534 63.200 -0.062 0.000 1.105 1067 S HN 0.715 nan 8.310 nan 0.000 0.468 1068 T N -0.881 113.639 114.554 -0.058 0.000 3.072 1068 T HA -0.062 4.278 4.350 -0.017 0.000 0.266 1068 T C 1.097 175.782 174.700 -0.025 0.000 1.127 1068 T CA 1.184 63.260 62.100 -0.040 0.000 1.107 1068 T CB -0.748 68.091 68.868 -0.048 0.000 0.910 1068 T HN 0.743 nan 8.240 nan 0.000 0.513 1069 N N 1.391 120.076 118.700 -0.025 0.000 2.280 1069 N HA 0.004 4.734 4.740 -0.017 0.000 0.192 1069 N C 1.311 176.829 175.510 0.012 0.000 1.109 1069 N CA 0.809 53.855 53.050 -0.008 0.000 0.855 1069 N CB -0.234 38.246 38.487 -0.011 0.000 0.974 1069 N HN 0.638 nan 8.380 nan 0.000 0.482 1070 T N -3.065 111.494 114.554 0.007 0.000 3.071 1070 T HA 0.272 4.612 4.350 -0.017 0.000 0.239 1070 T C 0.420 175.133 174.700 0.022 0.000 0.997 1070 T CA 0.080 62.193 62.100 0.021 0.000 1.134 1070 T CB -0.135 68.736 68.868 0.004 0.000 0.928 1070 T HN -0.110 nan 8.240 nan 0.000 0.453 1071 V N 4.771 124.694 119.914 0.014 0.000 2.409 1071 V HA 0.515 4.625 4.120 -0.017 0.000 0.290 1071 V C -2.553 173.568 176.094 0.045 0.000 1.017 1071 V CA -2.004 60.325 62.300 0.048 0.000 0.841 1071 V CB 1.711 33.574 31.823 0.068 0.000 1.003 1071 V HN 0.373 nan 8.190 nan 0.000 0.426 1072 P HA 0.390 nan 4.420 nan 0.000 0.281 1072 P C -0.219 177.117 177.300 0.059 0.000 1.264 1072 P CA -0.303 62.817 63.100 0.034 0.000 0.824 1072 P CB 0.731 32.442 31.700 0.019 0.000 1.092 1073 N N -2.018 116.703 118.700 0.035 0.000 2.747 1073 N HA -0.128 4.602 4.740 -0.017 0.000 0.249 1073 N C -0.164 175.394 175.510 0.080 0.000 1.107 1073 N CA 1.039 54.114 53.050 0.042 0.000 0.707 1073 N CB -2.417 36.095 38.487 0.041 0.000 1.054 1073 N HN 0.636 nan 8.380 nan 0.000 0.555 1074 S N -1.547 114.203 115.700 0.083 0.000 2.564 1074 S HA 0.474 4.934 4.470 -0.017 0.000 0.278 1074 S C 0.752 175.407 174.600 0.092 0.000 1.333 1074 S CA -0.621 57.660 58.200 0.134 0.000 1.048 1074 S CB 1.705 64.987 63.200 0.136 0.000 0.900 1074 S HN 0.195 nan 8.310 nan 0.000 0.505 1075 S N 3.732 119.493 115.700 0.101 0.000 2.589 1075 S HA 0.298 4.758 4.470 -0.017 0.000 0.265 1075 S C -2.037 172.621 174.600 0.096 0.000 1.342 1075 S CA -0.760 57.442 58.200 0.004 0.000 1.005 1075 S CB -0.339 62.778 63.200 -0.138 0.000 0.909 1075 S HN 0.724 nan 8.310 nan 0.000 0.555 1076 P HA 0.060 nan 4.420 nan 0.000 0.269 1076 P C -0.667 176.787 177.300 0.257 0.000 1.215 1076 P CA -0.137 63.043 63.100 0.132 0.000 0.780 1076 P CB -0.021 31.759 31.700 0.132 0.000 0.898 1077 T N 1.805 116.466 114.554 0.178 0.000 2.848 1077 T HA 0.469 4.809 4.350 -0.017 0.000 0.283 1077 T C 0.287 175.071 174.700 0.140 0.000 0.919 1077 T CA 0.397 62.608 62.100 0.185 0.000 1.071 1077 T CB -0.675 68.243 68.868 0.082 0.000 0.912 1077 T HN 0.606 nan 8.240 nan 0.000 0.570 1078 A N 2.141 125.051 122.820 0.149 0.000 2.536 1078 A HA 0.850 5.160 4.320 -0.017 0.000 0.293 1078 A C 0.588 177.983 177.584 -0.315 0.000 1.119 1078 A CA -0.278 51.762 52.037 0.005 0.000 0.654 1078 A CB 0.146 19.221 19.000 0.124 0.000 1.291 1078 A HN 1.476 nan 8.150 nan 0.000 0.439 1079 A N -0.968 121.613 122.820 -0.400 0.000 2.979 1079 A HA 0.045 4.355 4.320 -0.017 0.000 0.260 1079 A C 1.246 178.659 177.584 -0.285 0.000 1.282 1079 A CA 1.793 53.511 52.037 -0.532 0.000 0.971 1079 A CB -2.467 15.774 19.000 -1.266 0.000 1.124 1079 A HN 2.520 nan 8.150 nan 0.000 0.826 1080 S N -4.491 111.110 115.700 -0.164 0.000 3.127 1080 S HA -0.342 4.117 4.470 -0.017 0.000 0.281 1080 S C 1.138 175.685 174.600 -0.088 0.000 1.293 1080 S CA 1.946 60.091 58.200 -0.093 0.000 1.156 1080 S CB -2.380 60.775 63.200 -0.075 0.000 1.389 1080 S HN 2.341 nan 8.310 nan 0.000 0.672 1081 V N -2.030 117.797 119.914 -0.144 0.000 3.621 1081 V HA 0.309 4.419 4.120 -0.017 0.000 0.285 1081 V C 1.612 177.677 176.094 -0.047 0.000 1.346 1081 V CA 0.900 63.135 62.300 -0.108 0.000 1.104 1081 V CB 0.384 32.098 31.823 -0.182 0.000 0.913 1081 V HN 0.359 nan 8.190 nan 0.000 0.432 1082 S N 1.675 117.391 115.700 0.028 0.000 2.370 1082 S HA -0.190 4.270 4.470 -0.017 0.000 0.226 1082 S C 1.974 176.660 174.600 0.143 0.000 1.033 1082 S CA 2.278 60.592 58.200 0.191 0.000 1.011 1082 S CB -0.568 62.803 63.200 0.284 0.000 0.852 1082 S HN 0.760 nan 8.310 nan 0.000 0.457 1083 T N 2.332 116.920 114.554 0.056 0.000 2.684 1083 T HA -0.129 4.211 4.350 -0.017 0.000 0.267 1083 T C 1.418 176.096 174.700 -0.037 0.000 1.036 1083 T CA 1.672 63.780 62.100 0.013 0.000 1.148 1083 T CB -0.646 68.228 68.868 0.010 0.000 0.863 1083 T HN 0.330 nan 8.240 nan 0.000 0.436 1084 D N 1.222 121.598 120.400 -0.040 0.000 2.092 1084 D HA -0.080 4.550 4.640 -0.017 0.000 0.193 1084 D C 2.147 178.317 176.300 -0.218 0.000 0.994 1084 D CA 1.202 55.151 54.000 -0.087 0.000 0.828 1084 D CB -0.401 40.409 40.800 0.016 0.000 0.963 1084 D HN 0.583 nan 8.370 nan 0.000 0.450 1085 I N -2.654 117.791 120.570 -0.209 0.000 2.400 1085 I HA -0.107 4.053 4.170 -0.017 0.000 0.248 1085 I C 1.794 177.691 176.117 -0.366 0.000 1.109 1085 I CA 0.844 61.976 61.300 -0.279 0.000 1.425 1085 I CB -0.673 37.173 38.000 -0.256 0.000 1.094 1085 I HN -0.057 nan 8.210 nan 0.000 0.425 1086 Y N 2.360 122.614 120.300 -0.077 0.000 2.373 1086 Y HA 0.085 4.625 4.550 -0.017 0.000 0.293 1086 Y C 2.823 178.627 175.900 -0.160 0.000 1.129 1086 Y CA 0.980 59.010 58.100 -0.116 0.000 1.226 1086 Y CB -0.624 37.707 38.460 -0.214 0.000 1.000 1086 Y HN 0.221 nan 8.280 nan 0.000 0.549 1087 G N -0.192 108.568 108.800 -0.067 0.000 2.418 1087 G HA2 -0.224 3.726 3.960 -0.017 0.000 0.217 1087 G HA3 -0.224 3.726 3.960 -0.017 0.000 0.217 1087 G C 1.547 176.366 174.900 -0.135 0.000 1.158 1087 G CA 0.737 45.781 45.100 -0.094 0.000 0.771 1087 G HN 0.246 nan 8.290 nan 0.000 0.545 1088 Q N 0.457 120.082 119.800 -0.292 0.000 2.084 1088 Q HA -0.028 4.302 4.340 -0.017 0.000 0.202 1088 Q C 3.024 178.978 176.000 -0.077 0.000 0.978 1088 Q CA 1.420 57.007 55.803 -0.361 0.000 0.844 1088 Q CB -0.645 27.492 28.738 -1.002 0.000 0.898 1088 Q HN 0.450 nan 8.270 nan 0.000 0.426 1089 A N 0.506 123.309 122.820 -0.028 0.000 1.877 1089 A HA -0.133 4.177 4.320 -0.017 0.000 0.216 1089 A C 2.473 180.124 177.584 0.112 0.000 1.186 1089 A CA 1.617 53.710 52.037 0.093 0.000 0.620 1089 A CB -0.783 18.297 19.000 0.133 0.000 0.822 1089 A HN 0.200 nan 8.150 nan 0.000 0.443 1090 V N -1.374 118.598 119.914 0.097 0.000 2.287 1090 V HA -0.303 3.807 4.120 -0.017 0.000 0.248 1090 V C 2.340 178.488 176.094 0.090 0.000 1.053 1090 V CA 2.227 64.580 62.300 0.089 0.000 1.027 1090 V CB -1.067 30.796 31.823 0.066 0.000 0.646 1090 V HN 0.705 nan 8.190 nan 0.000 0.447 1091 Y N 1.224 121.503 120.300 -0.035 0.000 2.081 1091 Y HA -0.279 4.261 4.550 -0.017 0.000 0.280 1091 Y C 2.672 178.569 175.900 -0.005 0.000 1.163 1091 Y CA 2.229 60.303 58.100 -0.043 0.000 1.135 1091 Y CB -0.150 38.218 38.460 -0.153 0.000 0.970 1091 Y HN 0.245 nan 8.280 nan 0.000 0.498 1092 E N 0.265 120.540 120.200 0.125 0.000 2.077 1092 E HA -0.221 4.119 4.350 -0.017 0.000 0.193 1092 E C 2.430 179.032 176.600 0.004 0.000 0.989 1092 E CA 1.169 57.609 56.400 0.067 0.000 0.800 1092 E CB -0.833 28.958 29.700 0.152 0.000 0.746 1092 E HN 0.597 nan 8.360 nan 0.000 0.452 1093 A N 0.771 123.611 122.820 0.034 0.000 1.902 1093 A HA -0.203 4.107 4.320 -0.017 0.000 0.217 1093 A C 2.649 180.231 177.584 -0.003 0.000 1.181 1093 A CA 1.521 53.576 52.037 0.030 0.000 0.623 1093 A CB -0.937 18.090 19.000 0.046 0.000 0.818 1093 A HN 0.351 nan 8.150 nan 0.000 0.443 1094 C N -0.992 118.280 119.300 -0.046 0.000 2.429 1094 C HA -0.100 4.350 4.460 -0.017 0.000 0.277 1094 C C 2.891 177.823 174.990 -0.097 0.000 1.262 1094 C CA 1.131 60.114 59.018 -0.058 0.000 1.733 1094 C CB -1.056 26.625 27.740 -0.097 0.000 2.010 1094 C HN 0.601 nan 8.230 nan 0.000 0.483 1095 Q N 0.520 120.190 119.800 -0.215 0.000 2.096 1095 Q HA -0.152 4.178 4.340 -0.017 0.000 0.204 1095 Q C 2.231 178.202 176.000 -0.049 0.000 0.982 1095 Q CA 2.134 57.834 55.803 -0.172 0.000 0.850 1095 Q CB -1.272 27.343 28.738 -0.206 0.000 0.901 1095 Q HN 0.654 nan 8.270 nan 0.000 0.422 1096 T N 1.606 116.149 114.554 -0.019 0.000 2.708 1096 T HA -0.091 4.249 4.350 -0.017 0.000 0.266 1096 T C 2.062 176.781 174.700 0.033 0.000 1.037 1096 T CA 1.153 63.263 62.100 0.015 0.000 1.146 1096 T CB -0.299 68.586 68.868 0.028 0.000 0.865 1096 T HN 0.196 nan 8.240 nan 0.000 0.435 1097 I N 0.816 121.414 120.570 0.047 0.000 2.151 1097 I HA -0.192 3.968 4.170 -0.017 0.000 0.243 1097 I C 2.318 178.493 176.117 0.097 0.000 1.080 1097 I CA 1.370 62.721 61.300 0.084 0.000 1.339 1097 I CB -0.457 37.625 38.000 0.137 0.000 1.039 1097 I HN 0.201 nan 8.210 nan 0.000 0.409 1098 L N 0.390 121.668 121.223 0.091 0.000 2.046 1098 L HA -0.240 4.090 4.340 -0.017 0.000 0.208 1098 L C 2.632 179.527 176.870 0.041 0.000 1.077 1098 L CA 1.397 56.291 54.840 0.088 0.000 0.747 1098 L CB -0.615 41.480 42.059 0.060 0.000 0.896 1098 L HN 0.243 nan 8.230 nan 0.000 0.432 1099 K N 0.477 120.893 120.400 0.025 0.000 2.063 1099 K HA -0.202 4.108 4.320 -0.017 0.000 0.208 1099 K C 2.275 178.891 176.600 0.027 0.000 1.048 1099 K CA 1.489 57.785 56.287 0.014 0.000 0.928 1099 K CB 0.024 32.532 32.500 0.012 0.000 0.713 1099 K HN 0.226 nan 8.250 nan 0.000 0.442 1100 R N 0.084 120.617 120.500 0.054 0.000 2.115 1100 R HA -0.006 4.324 4.340 -0.017 0.000 0.226 1100 R C 2.183 178.590 176.300 0.178 0.000 1.100 1100 R CA 0.891 57.047 56.100 0.094 0.000 0.980 1100 R CB -0.068 30.283 30.300 0.084 0.000 0.875 1100 R HN 0.244 nan 8.270 nan 0.000 0.445 1101 L N 1.047 122.350 121.223 0.133 0.000 2.509 1101 L HA -0.035 4.295 4.340 -0.017 0.000 0.222 1101 L C 2.450 179.365 176.870 0.076 0.000 1.123 1101 L CA 0.437 55.385 54.840 0.181 0.000 0.856 1101 L CB -0.359 41.735 42.059 0.059 0.000 0.985 1101 L HN 0.297 nan 8.230 nan 0.000 0.456 1102 E N 1.264 121.450 120.200 -0.023 0.000 2.085 1102 E HA -0.229 4.111 4.350 -0.017 0.000 0.194 1102 E C -0.806 175.669 176.600 -0.209 0.000 0.994 1102 E CA 1.121 57.442 56.400 -0.132 0.000 0.801 1102 E CB -1.352 28.291 29.700 -0.094 0.000 0.743 1102 E HN 0.319 nan 8.360 nan 0.000 0.453 1103 P HA -0.111 nan 4.420 nan 0.000 0.218 1103 P C 0.818 177.805 177.300 -0.522 0.000 1.148 1103 P CA 1.226 64.052 63.100 -0.456 0.000 0.822 1103 P CB -0.192 31.090 31.700 -0.697 0.000 0.784 1104 F N -0.224 119.623 119.950 -0.171 0.000 2.270 1104 F HA 0.051 4.568 4.527 -0.017 0.000 0.295 1104 F C 2.447 178.043 175.800 -0.341 0.000 1.087 1104 F CA 0.893 58.799 58.000 -0.156 0.000 1.365 1104 F CB -0.606 38.349 39.000 -0.075 0.000 1.056 1104 F HN -0.200 nan 8.300 nan 0.000 0.506 1105 K N 1.124 121.206 120.400 -0.532 0.000 2.026 1105 K HA -0.177 4.133 4.320 -0.017 0.000 0.208 1105 K C 2.019 178.399 176.600 -0.367 0.000 1.048 1105 K CA 1.401 57.118 56.287 -0.950 0.000 0.929 1105 K CB -0.059 31.805 32.500 -1.061 0.000 0.713 1105 K HN 0.087 nan 8.250 nan 0.000 0.439 1106 K N 0.579 120.824 120.400 -0.259 0.000 2.044 1106 K HA -0.180 4.130 4.320 -0.017 0.000 0.210 1106 K C 2.065 178.614 176.600 -0.084 0.000 1.049 1106 K CA 1.857 58.055 56.287 -0.148 0.000 0.927 1106 K CB -0.049 32.361 32.500 -0.150 0.000 0.713 1106 K HN 0.159 nan 8.250 nan 0.000 0.443 1107 K N 0.060 120.411 120.400 -0.082 0.000 2.217 1107 K HA -0.078 4.232 4.320 -0.017 0.000 0.202 1107 K C 0.809 177.445 176.600 0.059 0.000 1.051 1107 K CA 0.692 56.969 56.287 -0.016 0.000 0.952 1107 K CB 0.041 32.532 32.500 -0.015 0.000 0.736 1107 K HN -0.007 nan 8.250 nan 0.000 0.453 1108 N N -0.095 118.671 118.700 0.110 0.000 2.703 1108 N HA 0.116 4.846 4.740 -0.017 0.000 0.283 1108 N C -2.374 173.344 175.510 0.346 0.000 1.851 1108 N CA -1.818 51.374 53.050 0.236 0.000 0.826 1108 N CB 0.913 39.603 38.487 0.339 0.000 1.239 1108 N HN -0.172 nan 8.380 nan 0.000 0.495 1109 P HA -0.005 nan 4.420 nan 0.000 0.222 1109 P C -0.059 177.438 177.300 0.328 0.000 1.147 1109 P CA 1.107 64.340 63.100 0.220 0.000 0.790 1109 P CB 0.521 32.283 31.700 0.104 0.000 0.780 1110 D N -0.731 119.824 120.400 0.258 0.000 2.369 1110 D HA 0.118 4.748 4.640 -0.017 0.000 0.211 1110 D C 1.389 177.779 176.300 0.151 0.000 1.077 1110 D CA 0.178 54.291 54.000 0.188 0.000 0.842 1110 D CB 0.164 41.033 40.800 0.114 0.000 0.947 1110 D HN 0.103 nan 8.370 nan 0.000 0.509 1111 G N 0.827 109.760 108.800 0.221 0.000 2.651 1111 G HA2 0.302 4.252 3.960 -0.017 0.000 0.260 1111 G HA3 0.302 4.252 3.960 -0.017 0.000 0.260 1111 G C 0.402 175.073 174.900 -0.381 0.000 1.216 1111 G CA -0.250 44.850 45.100 0.000 0.000 0.913 1111 G HN 0.158 nan 8.290 nan 0.000 0.535 1112 S N -0.899 114.478 115.700 -0.538 0.000 2.672 1112 S HA 0.151 4.611 4.470 -0.017 0.000 0.276 1112 S C 1.132 175.060 174.600 -1.120 0.000 1.207 1112 S CA -0.492 57.321 58.200 -0.646 0.000 1.002 1112 S CB 1.147 64.174 63.200 -0.289 0.000 0.998 1112 S HN 0.795 nan 8.310 nan 0.000 0.542 1113 W N 1.641 122.379 121.300 -0.937 0.000 2.304 1113 W HA -0.268 4.382 4.660 -0.016 0.000 0.315 1113 W C 1.258 177.614 176.519 -0.271 0.000 1.233 1113 W CA 2.478 59.516 57.345 -0.512 0.000 1.261 1113 W CB -0.600 28.750 29.460 -0.183 0.000 1.150 1113 W HN 0.866 nan 8.180 nan 0.000 0.494 1114 E N 0.745 120.850 120.200 -0.159 0.000 2.097 1114 E HA -0.239 4.101 4.350 -0.017 0.000 0.196 1114 E C 1.657 178.127 176.600 -0.218 0.000 1.000 1114 E CA 2.165 58.459 56.400 -0.177 0.000 0.804 1114 E CB -0.769 28.899 29.700 -0.053 0.000 0.740 1114 E HN 0.216 nan 8.360 nan 0.000 0.454 1115 D N -0.588 119.663 120.400 -0.249 0.000 2.097 1115 D HA -0.161 4.469 4.640 -0.017 0.000 0.195 1115 D C 1.699 177.970 176.300 -0.047 0.000 0.989 1115 D CA 0.871 54.779 54.000 -0.154 0.000 0.827 1115 D CB -0.295 40.403 40.800 -0.170 0.000 0.966 1115 D HN 0.282 nan 8.370 nan 0.000 0.456 1116 W N 1.142 122.369 121.300 -0.123 0.000 2.355 1116 W HA -0.083 4.567 4.660 -0.017 0.000 0.309 1116 W C 2.411 178.712 176.519 -0.363 0.000 1.206 1116 W CA 0.127 57.372 57.345 -0.167 0.000 1.284 1116 W CB -1.407 27.978 29.460 -0.125 0.000 1.145 1116 W HN -0.127 nan 8.180 nan 0.000 0.502 1117 V N 0.666 120.415 119.914 -0.275 0.000 2.295 1117 V HA -0.339 3.771 4.120 -0.017 0.000 0.246 1117 V C 2.300 178.258 176.094 -0.226 0.000 1.049 1117 V CA 2.296 64.373 62.300 -0.372 0.000 1.024 1117 V CB -0.979 30.534 31.823 -0.517 0.000 0.648 1117 V HN 0.051 nan 8.190 nan 0.000 0.447 1118 M N 0.741 120.247 119.600 -0.156 0.000 2.117 1118 M HA -0.084 4.386 4.480 -0.017 0.000 0.262 1118 M C 2.035 178.296 176.300 -0.067 0.000 1.065 1118 M CA 2.127 57.391 55.300 -0.059 0.000 1.114 1118 M CB -0.807 31.768 32.600 -0.041 0.000 1.361 1118 M HN 0.270 nan 8.290 nan 0.000 0.408 1119 A N -0.392 122.345 122.820 -0.139 0.000 1.902 1119 A HA 0.036 4.346 4.320 -0.017 0.000 0.217 1119 A C 2.371 179.613 177.584 -0.571 0.000 1.181 1119 A CA 2.092 54.016 52.037 -0.190 0.000 0.623 1119 A CB -1.428 17.558 19.000 -0.022 0.000 0.818 1119 A HN 0.625 nan 8.150 nan 0.000 0.443 1120 A N -1.314 120.920 122.820 -0.978 0.000 1.877 1120 A HA -0.121 4.189 4.320 -0.017 0.000 0.216 1120 A C 2.157 179.485 177.584 -0.426 0.000 1.186 1120 A CA 1.731 53.071 52.037 -1.161 0.000 0.620 1120 A CB -0.945 17.541 19.000 -0.857 0.000 0.822 1120 A HN 0.769 nan 8.150 nan 0.000 0.443 1121 Y N 0.828 120.934 120.300 -0.323 0.000 2.128 1121 Y HA -0.273 4.267 4.550 -0.017 0.000 0.284 1121 Y C 2.446 178.271 175.900 -0.125 0.000 1.154 1121 Y CA 2.424 60.417 58.100 -0.177 0.000 1.149 1121 Y CB -0.432 37.947 38.460 -0.135 0.000 0.976 1121 Y HN 0.445 nan 8.280 nan 0.000 0.505 1122 Q N -0.695 118.955 119.800 -0.250 0.000 2.364 1122 Q HA -0.162 4.168 4.340 -0.017 0.000 0.207 1122 Q C 1.102 176.987 176.000 -0.193 0.000 0.970 1122 Q CA 1.164 56.820 55.803 -0.245 0.000 0.888 1122 Q CB -0.024 28.681 28.738 -0.055 0.000 0.951 1122 Q HN 0.555 nan 8.270 nan 0.000 0.469 1123 D N 0.404 120.713 120.400 -0.151 0.000 2.328 1123 D HA 0.051 4.681 4.640 -0.017 0.000 0.221 1123 D C -0.336 175.928 176.300 -0.060 0.000 1.072 1123 D CA -0.049 53.937 54.000 -0.024 0.000 0.850 1123 D CB 0.320 41.242 40.800 0.203 0.000 0.922 1123 D HN 0.105 nan 8.370 nan 0.000 0.516 1124 R N -0.305 120.082 120.500 -0.188 0.000 3.336 1124 R HA -0.139 4.191 4.340 -0.017 0.000 0.260 1124 R C -0.633 175.626 176.300 -0.067 0.000 1.032 1124 R CA -0.015 55.984 56.100 -0.169 0.000 0.693 1124 R CB -2.121 28.099 30.300 -0.133 0.000 1.134 1124 R HN -0.027 nan 8.270 nan 0.000 0.433 1125 V N 0.889 120.770 119.914 -0.056 0.000 2.439 1125 V HA 0.197 4.307 4.120 -0.017 0.000 0.282 1125 V C 0.918 177.006 176.094 -0.010 0.000 1.039 1125 V CA -0.271 62.033 62.300 0.006 0.000 0.913 1125 V CB 1.848 33.713 31.823 0.070 0.000 0.983 1125 V HN 0.383 nan 8.190 nan 0.000 0.460 1126 S N 4.696 120.403 115.700 0.012 0.000 2.533 1126 S HA 0.291 4.751 4.470 -0.017 0.000 0.282 1126 S C 0.361 174.972 174.600 0.018 0.000 1.304 1126 S CA -0.358 57.853 58.200 0.018 0.000 1.063 1126 S CB 0.101 63.316 63.200 0.024 0.000 0.881 1126 S HN 0.585 nan 8.310 nan 0.000 0.493 1127 L N 4.276 125.508 121.223 0.015 0.000 2.928 1127 L HA 0.341 4.671 4.340 -0.017 0.000 0.246 1127 L C 0.480 177.365 176.870 0.026 0.000 1.239 1127 L CA -0.193 54.648 54.840 0.001 0.000 1.035 1127 L CB 0.340 42.379 42.059 -0.033 0.000 1.360 1127 L HN 0.527 nan 8.230 nan 0.000 0.529 1128 S N -0.568 115.168 115.700 0.059 0.000 2.557 1128 S HA 0.694 5.154 4.470 -0.017 0.000 0.291 1128 S C -0.629 174.029 174.600 0.096 0.000 1.116 1128 S CA -0.298 57.986 58.200 0.140 0.000 0.992 1128 S CB 1.915 65.233 63.200 0.198 0.000 1.028 1128 S HN 0.102 nan 8.310 nan 0.000 0.484 1129 T N 2.025 116.622 114.554 0.073 0.000 2.889 1129 T HA 0.642 4.982 4.350 -0.017 0.000 0.315 1129 T C -0.393 174.330 174.700 0.037 0.000 1.291 1129 T CA -0.324 61.808 62.100 0.053 0.000 1.028 1129 T CB 1.468 70.364 68.868 0.046 0.000 1.235 1129 T HN 0.848 nan 8.240 nan 0.000 0.491 1130 T N 0.520 115.105 114.554 0.051 0.000 2.874 1130 T HA 0.760 5.100 4.350 -0.017 0.000 0.281 1130 T C 0.470 175.227 174.700 0.094 0.000 0.994 1130 T CA -0.354 61.788 62.100 0.069 0.000 1.015 1130 T CB 1.159 70.071 68.868 0.074 0.000 1.028 1130 T HN 0.915 nan 8.240 nan 0.000 0.523 1131 G N -0.053 108.831 108.800 0.140 0.000 2.612 1131 G HA2 0.646 4.596 3.960 -0.017 0.000 0.298 1131 G HA3 0.646 4.596 3.960 -0.017 0.000 0.298 1131 G C -2.113 172.965 174.900 0.298 0.000 1.336 1131 G CA -0.844 44.362 45.100 0.178 0.000 0.953 1131 G HN 0.725 nan 8.290 nan 0.000 0.482 1132 F N 0.708 120.721 119.950 0.105 0.000 2.619 1132 F HA 0.716 5.233 4.527 -0.016 0.000 0.308 1132 F C -1.912 173.989 175.800 0.169 0.000 1.097 1132 F CA -1.151 56.918 58.000 0.114 0.000 0.953 1132 F CB 2.367 41.409 39.000 0.070 0.000 1.287 1132 F HN 0.562 nan 8.300 nan 0.000 0.446 1133 Y N 5.205 125.171 120.300 -0.557 0.000 2.457 1133 Y HA 0.658 5.198 4.550 -0.017 0.000 0.343 1133 Y C -1.462 174.077 175.900 -0.602 0.000 0.994 1133 Y CA -0.995 56.863 58.100 -0.403 0.000 1.031 1133 Y CB 1.461 39.761 38.460 -0.267 0.000 1.246 1133 Y HN 0.683 nan 8.280 nan 0.000 0.449 1134 R N 2.856 122.760 120.500 -0.994 0.000 2.532 1134 R HA 0.541 4.871 4.340 -0.017 0.000 0.297 1134 R C -1.315 174.354 176.300 -1.051 0.000 0.984 1134 R CA -0.871 54.749 56.100 -0.799 0.000 0.884 1134 R CB 1.280 31.388 30.300 -0.321 0.000 1.182 1134 R HN 0.592 nan 8.270 nan 0.000 0.442 1135 T N 5.613 119.675 114.554 -0.819 0.000 2.867 1135 T HA 0.130 4.470 4.350 -0.017 0.000 0.297 1135 T C -1.732 172.726 174.700 -0.403 0.000 0.989 1135 T CA -0.429 61.286 62.100 -0.641 0.000 1.159 1135 T CB 0.365 68.975 68.868 -0.430 0.000 0.928 1135 T HN 0.501 nan 8.240 nan 0.000 0.538 1136 P HA 0.294 nan 4.420 nan 0.000 0.278 1136 P C -0.127 177.147 177.300 -0.044 0.000 1.258 1136 P CA -0.601 62.423 63.100 -0.127 0.000 0.811 1136 P CB 0.529 32.205 31.700 -0.041 0.000 1.063 1137 N N -1.121 117.567 118.700 -0.019 0.000 2.747 1137 N HA -0.139 4.591 4.740 -0.017 0.000 0.249 1137 N C -0.653 174.859 175.510 0.003 0.000 1.107 1137 N CA 0.781 53.838 53.050 0.010 0.000 0.707 1137 N CB -1.857 36.660 38.487 0.049 0.000 1.054 1137 N HN 0.460 nan 8.380 nan 0.000 0.555 1138 L N -0.140 121.064 121.223 -0.032 0.000 2.325 1138 L HA 0.732 5.062 4.340 -0.017 0.000 0.278 1138 L C 0.960 177.806 176.870 -0.041 0.000 1.023 1138 L CA -0.463 54.346 54.840 -0.053 0.000 0.811 1138 L CB 1.958 43.965 42.059 -0.088 0.000 1.249 1138 L HN 0.227 nan 8.230 nan 0.000 0.431 1139 G N 1.866 110.641 108.800 -0.041 0.000 2.482 1139 G HA2 -0.017 3.933 3.960 -0.017 0.000 0.201 1139 G HA3 -0.017 3.933 3.960 -0.017 0.000 0.201 1139 G C -1.617 173.287 174.900 0.008 0.000 3.137 1139 G CA -0.751 44.342 45.100 -0.012 0.000 0.798 1139 G HN 0.389 nan 8.290 nan 0.000 0.493 1140 Y N 2.390 122.614 120.300 -0.126 0.000 2.319 1140 Y HA 0.698 5.238 4.550 -0.016 0.000 0.328 1140 Y C 0.404 176.272 175.900 -0.053 0.000 1.133 1140 Y CA -0.229 57.790 58.100 -0.135 0.000 1.265 1140 Y CB 1.862 40.162 38.460 -0.266 0.000 1.218 1140 Y HN 0.499 nan 8.280 nan 0.000 0.508 1141 S N 5.953 121.171 115.700 -0.804 0.000 2.474 1141 S HA 0.300 4.760 4.470 -0.017 0.000 0.321 1141 S C 0.353 174.413 174.600 -0.901 0.000 1.080 1141 S CA -0.639 57.219 58.200 -0.570 0.000 1.106 1141 S CB -0.035 62.995 63.200 -0.284 0.000 0.984 1141 S HN 0.740 nan 8.310 nan 0.000 0.464 1142 F N 2.631 122.329 119.950 -0.420 0.000 2.293 1142 F HA 0.103 4.619 4.527 -0.017 0.000 0.300 1142 F C 1.385 177.123 175.800 -0.104 0.000 1.086 1142 F CA 0.678 58.589 58.000 -0.148 0.000 1.375 1142 F CB 0.167 39.200 39.000 0.055 0.000 1.045 1142 F HN 0.511 nan 8.300 nan 0.000 0.516 1143 E N -0.129 120.100 120.200 0.047 0.000 2.201 1143 E HA 0.214 4.554 4.350 -0.017 0.000 0.272 1143 E C 0.616 177.188 176.600 -0.047 0.000 1.228 1143 E CA 0.389 56.800 56.400 0.019 0.000 1.305 1143 E CB -0.257 29.461 29.700 0.030 0.000 1.381 1143 E HN 0.359 nan 8.360 nan 0.000 0.475 1144 T N -2.759 111.750 114.554 -0.076 0.000 4.617 1144 T HA -0.092 4.248 4.350 -0.017 0.000 0.289 1144 T C 0.490 175.143 174.700 -0.077 0.000 1.002 1144 T CA -0.152 61.905 62.100 -0.072 0.000 0.632 1144 T CB -0.963 67.855 68.868 -0.084 0.000 0.943 1144 T HN 0.194 nan 8.240 nan 0.000 0.705 1145 N N 1.529 120.138 118.700 -0.151 0.000 2.725 1145 N HA -0.155 4.575 4.740 -0.017 0.000 0.251 1145 N C -0.291 175.224 175.510 0.008 0.000 1.031 1145 N CA 1.317 54.335 53.050 -0.052 0.000 0.720 1145 N CB -1.296 37.255 38.487 0.106 0.000 0.930 1145 N HN 1.395 nan 8.380 nan 0.000 0.543 1146 S N -1.547 114.060 115.700 -0.156 0.000 2.638 1146 S HA 0.886 5.346 4.470 -0.017 0.000 0.274 1146 S C 0.125 174.698 174.600 -0.045 0.000 1.157 1146 S CA 0.123 58.309 58.200 -0.024 0.000 0.826 1146 S CB 1.791 64.971 63.200 -0.032 0.000 1.139 1146 S HN 1.537 nan 8.310 nan 0.000 0.474 1147 G N 1.330 110.153 108.800 0.038 0.000 2.719 1147 G HA2 -0.051 3.899 3.960 -0.017 0.000 0.686 1147 G HA3 -0.051 3.899 3.960 -0.017 0.000 0.686 1147 G C -1.246 173.718 174.900 0.106 0.000 1.201 1147 G CA -1.003 44.121 45.100 0.039 0.000 0.768 1147 G HN 0.895 nan 8.290 nan 0.000 0.629 1148 N N 0.635 119.355 118.700 0.033 0.000 2.452 1148 N HA 0.388 5.117 4.740 -0.017 0.000 0.266 1148 N C 1.328 176.735 175.510 -0.171 0.000 1.209 1148 N CA 0.584 53.622 53.050 -0.019 0.000 0.929 1148 N CB 1.531 40.014 38.487 -0.006 0.000 1.063 1148 N HN 1.020 nan 8.380 nan 0.000 0.472 1149 A N 3.088 125.644 122.820 -0.439 0.000 1.935 1149 A HA 0.133 4.443 4.320 -0.017 0.000 0.214 1149 A C 0.227 177.080 177.584 -1.218 0.000 1.178 1149 A CA 0.842 52.222 52.037 -1.094 0.000 0.640 1149 A CB 0.050 17.657 19.000 -2.322 0.000 0.825 1149 A HN 0.562 nan 8.150 nan 0.000 0.447 1150 F N -3.679 116.037 119.950 -0.389 0.000 2.579 1150 F HA 0.490 5.008 4.527 -0.016 0.000 0.324 1150 F C 1.126 176.768 175.800 -0.264 0.000 1.058 1150 F CA -0.753 56.976 58.000 -0.452 0.000 0.944 1150 F CB 1.051 39.554 39.000 -0.829 0.000 1.245 1150 F HN 0.101 nan 8.300 nan 0.000 0.477 1151 H N 0.477 119.449 119.070 -0.164 0.000 2.372 1151 H HA 0.056 4.602 4.556 -0.017 0.000 0.301 1151 H C -0.812 174.547 175.328 0.052 0.000 1.065 1151 H CA 1.778 57.795 56.048 -0.052 0.000 1.364 1151 H CB 0.194 29.956 29.762 0.000 0.000 1.406 1151 H HN 0.537 nan 8.280 nan 0.000 0.521 1152 Y N -4.325 115.860 120.300 -0.192 0.000 2.895 1152 Y HA 0.431 4.971 4.550 -0.017 0.000 0.339 1152 Y C -1.850 173.754 175.900 -0.493 0.000 1.363 1152 Y CA -2.039 55.925 58.100 -0.225 0.000 1.085 1152 Y CB 0.524 38.902 38.460 -0.136 0.000 1.500 1152 Y HN -0.203 nan 8.280 nan 0.000 0.442 1153 F N 0.323 120.295 119.950 0.036 0.000 2.532 1153 F HA 0.706 5.223 4.527 -0.016 0.000 0.321 1153 F C -0.106 175.450 175.800 -0.407 0.000 1.089 1153 F CA -0.845 56.960 58.000 -0.325 0.000 0.926 1153 F CB 2.601 41.330 39.000 -0.453 0.000 1.168 1153 F HN 0.493 nan 8.300 nan 0.000 0.459 1154 T N 1.924 116.360 114.554 -0.196 0.000 2.867 1154 T HA 0.555 4.895 4.350 -0.017 0.000 0.282 1154 T C -1.210 173.324 174.700 -0.277 0.000 1.000 1154 T CA -0.425 61.599 62.100 -0.127 0.000 1.042 1154 T CB 0.616 69.520 68.868 0.059 0.000 0.973 1154 T HN 0.331 nan 8.240 nan 0.000 0.465 1155 Y N -0.095 120.296 120.300 0.151 0.000 2.576 1155 Y HA 0.726 5.265 4.550 -0.017 0.000 0.346 1155 Y C 0.608 176.555 175.900 0.079 0.000 1.018 1155 Y CA -0.913 57.242 58.100 0.090 0.000 1.050 1155 Y CB 2.707 41.148 38.460 -0.031 0.000 1.280 1155 Y HN 0.938 nan 8.280 nan 0.000 0.474 1156 G N 0.009 108.967 108.800 0.263 0.000 2.523 1156 G HA2 0.561 4.511 3.960 -0.017 0.000 0.291 1156 G HA3 0.561 4.511 3.960 -0.017 0.000 0.291 1156 G C -2.453 172.565 174.900 0.197 0.000 1.450 1156 G CA -0.707 44.507 45.100 0.190 0.000 0.790 1156 G HN 0.477 nan 8.290 nan 0.000 0.496 1157 V N -0.276 119.731 119.914 0.156 0.000 2.760 1157 V HA 0.872 4.982 4.120 -0.017 0.000 0.309 1157 V C 0.019 176.159 176.094 0.076 0.000 1.077 1157 V CA -0.306 62.087 62.300 0.155 0.000 0.910 1157 V CB 1.609 33.534 31.823 0.170 0.000 1.008 1157 V HN 1.684 nan 8.190 nan 0.000 0.424 1158 A N 2.538 125.401 122.820 0.071 0.000 2.414 1158 A HA 0.796 5.106 4.320 -0.017 0.000 0.306 1158 A C -0.896 176.682 177.584 -0.010 0.000 1.054 1158 A CA -0.481 51.577 52.037 0.035 0.000 0.724 1158 A CB 1.715 20.795 19.000 0.134 0.000 1.267 1158 A HN 1.092 nan 8.150 nan 0.000 0.418 1159 C N 1.935 121.209 119.300 -0.043 0.000 2.345 1159 C HA 0.855 5.305 4.460 -0.017 0.000 0.323 1159 C C -0.092 174.905 174.990 0.011 0.000 1.276 1159 C CA -0.078 58.919 59.018 -0.034 0.000 1.543 1159 C CB 0.149 27.846 27.740 -0.072 0.000 2.211 1159 C HN 0.848 nan 8.230 nan 0.000 0.493 1160 S N 3.574 119.303 115.700 0.048 0.000 2.542 1160 S HA 0.602 5.062 4.470 -0.017 0.000 0.293 1160 S C -1.286 173.329 174.600 0.025 0.000 1.089 1160 S CA -0.493 57.735 58.200 0.047 0.000 0.961 1160 S CB 1.744 65.009 63.200 0.108 0.000 1.062 1160 S HN 0.879 nan 8.310 nan 0.000 0.483 1161 E N 1.536 121.734 120.200 -0.004 0.000 2.222 1161 E HA 0.658 4.998 4.350 -0.017 0.000 0.267 1161 E C -1.281 175.298 176.600 -0.035 0.000 0.884 1161 E CA -0.802 55.577 56.400 -0.035 0.000 0.764 1161 E CB 1.491 31.153 29.700 -0.064 0.000 1.169 1161 E HN 0.518 nan 8.360 nan 0.000 0.413 1162 V N 0.487 120.372 119.914 -0.048 0.000 3.102 1162 V HA 0.664 4.773 4.120 -0.017 0.000 0.312 1162 V C -0.926 175.121 176.094 -0.079 0.000 1.135 1162 V CA -0.843 61.444 62.300 -0.023 0.000 1.022 1162 V CB 1.870 33.695 31.823 0.003 0.000 1.056 1162 V HN 0.810 nan 8.190 nan 0.000 0.436 1163 E N 2.199 122.367 120.200 -0.053 0.000 2.224 1163 E HA 0.632 4.972 4.350 -0.017 0.000 0.265 1163 E C -1.013 175.603 176.600 0.026 0.000 0.878 1163 E CA -0.923 55.421 56.400 -0.093 0.000 0.759 1163 E CB 1.996 31.590 29.700 -0.178 0.000 1.164 1163 E HN 0.928 nan 8.360 nan 0.000 0.414 1164 I N 0.764 121.362 120.570 0.046 0.000 2.498 1164 I HA 0.501 4.661 4.170 -0.017 0.000 0.301 1164 I C -0.298 175.886 176.117 0.111 0.000 0.984 1164 I CA -0.845 60.508 61.300 0.088 0.000 1.204 1164 I CB 1.625 39.655 38.000 0.050 0.000 1.362 1164 I HN 0.345 nan 8.210 nan 0.000 0.471 1165 D N 5.150 125.614 120.400 0.105 0.000 2.380 1165 D HA 0.230 4.860 4.640 -0.017 0.000 0.230 1165 D C 0.619 176.991 176.300 0.119 0.000 1.154 1165 D CA -0.421 53.646 54.000 0.112 0.000 0.859 1165 D CB 1.392 42.234 40.800 0.069 0.000 1.045 1165 D HN 0.755 nan 8.370 nan 0.000 0.495 1166 C N 3.401 122.811 119.300 0.183 0.000 2.432 1166 C HA -0.022 4.428 4.460 -0.017 0.000 0.282 1166 C C 2.526 177.635 174.990 0.197 0.000 1.388 1166 C CA 0.032 59.179 59.018 0.216 0.000 1.777 1166 C CB -0.847 27.084 27.740 0.319 0.000 1.882 1166 C HN 0.662 nan 8.230 nan 0.000 0.520 1167 L N 0.813 122.109 121.223 0.121 0.000 2.446 1167 L HA 0.008 4.338 4.340 -0.017 0.000 0.219 1167 L C 2.473 179.295 176.870 -0.081 0.000 1.116 1167 L CA 1.605 56.413 54.840 -0.053 0.000 0.844 1167 L CB -0.286 41.637 42.059 -0.227 0.000 0.970 1167 L HN 0.556 nan 8.230 nan 0.000 0.457 1168 T N -6.407 108.132 114.554 -0.024 0.000 2.966 1168 T HA 0.270 4.610 4.350 -0.017 0.000 0.254 1168 T C 1.445 176.143 174.700 -0.004 0.000 0.961 1168 T CA 0.571 62.651 62.100 -0.035 0.000 0.915 1168 T CB 1.033 69.878 68.868 -0.039 0.000 1.186 1168 T HN 0.229 nan 8.240 nan 0.000 0.505 1169 G N 1.448 110.262 108.800 0.024 0.000 2.176 1169 G HA2 -0.220 3.729 3.960 -0.017 0.000 0.253 1169 G HA3 -0.220 3.729 3.960 -0.017 0.000 0.253 1169 G C -0.160 174.775 174.900 0.058 0.000 0.979 1169 G CA 0.203 45.324 45.100 0.034 0.000 0.641 1169 G HN 0.729 nan 8.290 nan 0.000 0.530 1170 D N 1.177 121.606 120.400 0.048 0.000 2.360 1170 D HA 0.497 5.127 4.640 -0.017 0.000 0.242 1170 D C 0.676 177.045 176.300 0.115 0.000 1.184 1170 D CA 0.566 54.597 54.000 0.052 0.000 0.930 1170 D CB 0.340 41.138 40.800 -0.004 0.000 1.161 1170 D HN 0.644 nan 8.370 nan 0.000 0.447 1171 H N -1.155 117.896 119.070 -0.032 0.000 3.037 1171 H HA 0.460 5.005 4.556 -0.018 0.000 0.355 1171 H C -1.235 174.067 175.328 -0.043 0.000 1.263 1171 H CA -0.891 55.136 56.048 -0.036 0.000 1.129 1171 H CB 0.776 30.510 29.762 -0.048 0.000 1.861 1171 H HN 0.190 nan 8.280 nan 0.000 0.546 1172 K N 1.739 122.094 120.400 -0.076 0.000 2.244 1172 K HA 0.273 4.582 4.320 -0.017 0.000 0.260 1172 K C -0.667 175.924 176.600 -0.014 0.000 0.951 1172 K CA -0.999 55.215 56.287 -0.122 0.000 0.826 1172 K CB 1.377 33.836 32.500 -0.069 0.000 1.108 1172 K HN 0.436 nan 8.250 nan 0.000 0.433 1173 N N 3.994 122.662 118.700 -0.054 0.000 2.402 1173 N HA 0.085 4.815 4.740 -0.017 0.000 0.252 1173 N C 0.689 176.176 175.510 -0.038 0.000 1.118 1173 N CA 0.086 53.136 53.050 -0.000 0.000 0.945 1173 N CB 0.721 39.197 38.487 -0.018 0.000 1.147 1173 N HN 0.465 nan 8.380 nan 0.000 0.495 1174 L N 1.296 122.497 121.223 -0.038 0.000 2.102 1174 L HA 0.137 4.467 4.340 -0.017 0.000 0.202 1174 L C 1.020 177.864 176.870 -0.044 0.000 1.076 1174 L CA 0.758 55.567 54.840 -0.052 0.000 0.761 1174 L CB 0.096 42.110 42.059 -0.076 0.000 0.921 1174 L HN 0.409 nan 8.230 nan 0.000 0.444 1175 R N -0.872 119.601 120.500 -0.044 0.000 2.579 1175 R HA 0.357 4.687 4.340 -0.017 0.000 0.260 1175 R C -1.697 174.576 176.300 -0.046 0.000 1.103 1175 R CA -0.269 55.808 56.100 -0.038 0.000 0.942 1175 R CB 1.922 32.203 30.300 -0.032 0.000 1.251 1175 R HN -0.209 nan 8.270 nan 0.000 0.450 1176 T N 2.727 117.243 114.554 -0.062 0.000 2.886 1176 T HA 0.378 4.718 4.350 -0.017 0.000 0.292 1176 T C -1.631 173.040 174.700 -0.049 0.000 1.012 1176 T CA -0.628 61.415 62.100 -0.095 0.000 0.982 1176 T CB 1.636 70.331 68.868 -0.288 0.000 1.018 1176 T HN 0.525 nan 8.240 nan 0.000 0.451 1177 D N 1.836 122.197 120.400 -0.065 0.000 2.505 1177 D HA 0.626 5.256 4.640 -0.017 0.000 0.249 1177 D C -0.623 175.629 176.300 -0.080 0.000 1.082 1177 D CA -0.314 53.652 54.000 -0.057 0.000 0.839 1177 D CB 1.528 42.295 40.800 -0.054 0.000 1.317 1177 D HN 0.352 nan 8.370 nan 0.000 0.497 1178 I N 1.675 122.200 120.570 -0.076 0.000 2.545 1178 I HA 0.438 4.598 4.170 -0.017 0.000 0.292 1178 I C -0.894 175.202 176.117 -0.035 0.000 1.040 1178 I CA -1.101 60.163 61.300 -0.060 0.000 1.068 1178 I CB 2.122 40.075 38.000 -0.078 0.000 1.251 1178 I HN 0.017 nan 8.210 nan 0.000 0.424 1179 V N 6.482 126.391 119.914 -0.008 0.000 2.444 1179 V HA 0.497 4.607 4.120 -0.017 0.000 0.294 1179 V C -0.137 175.982 176.094 0.042 0.000 1.022 1179 V CA -0.482 61.823 62.300 0.007 0.000 0.850 1179 V CB 1.662 33.487 31.823 0.003 0.000 0.992 1179 V HN 0.582 nan 8.190 nan 0.000 0.426 1180 M N 3.499 123.124 119.600 0.041 0.000 2.311 1180 M HA 0.418 4.888 4.480 -0.017 0.000 0.325 1180 M C -0.784 175.558 176.300 0.070 0.000 1.061 1180 M CA -0.622 54.718 55.300 0.067 0.000 0.957 1180 M CB 1.710 34.343 32.600 0.055 0.000 1.646 1180 M HN 0.705 nan 8.290 nan 0.000 0.434 1181 D N 3.374 123.838 120.400 0.106 0.000 2.411 1181 D HA 0.302 4.932 4.640 -0.017 0.000 0.225 1181 D C 0.385 176.746 176.300 0.101 0.000 1.156 1181 D CA -0.251 53.816 54.000 0.111 0.000 0.874 1181 D CB 0.575 41.485 40.800 0.184 0.000 1.034 1181 D HN 0.418 nan 8.370 nan 0.000 0.502 1182 V N 2.101 122.054 119.914 0.065 0.000 3.043 1182 V HA 0.594 4.704 4.120 -0.017 0.000 0.357 1182 V C 1.175 177.286 176.094 0.028 0.000 1.372 1182 V CA 0.203 62.535 62.300 0.053 0.000 1.214 1182 V CB -0.352 31.496 31.823 0.041 0.000 1.224 1182 V HN 0.638 nan 8.190 nan 0.000 0.507 1183 G N 1.593 110.406 108.800 0.021 0.000 2.574 1183 G HA2 -0.261 3.688 3.960 -0.017 0.000 0.282 1183 G HA3 -0.261 3.688 3.960 -0.017 0.000 0.282 1183 G C 0.077 174.973 174.900 -0.006 0.000 1.257 1183 G CA 0.118 45.210 45.100 -0.013 0.000 0.956 1183 G HN 1.047 nan 8.290 nan 0.000 0.560 1184 S N 0.349 116.041 115.700 -0.014 0.000 2.409 1184 S HA 0.517 4.977 4.470 -0.017 0.000 0.308 1184 S C 0.519 175.120 174.600 0.001 0.000 1.080 1184 S CA 0.592 58.789 58.200 -0.005 0.000 1.081 1184 S CB 1.238 64.435 63.200 -0.005 0.000 1.009 1184 S HN 1.204 nan 8.310 nan 0.000 0.502 1185 S N 3.350 119.051 115.700 0.002 0.000 2.563 1185 S HA 0.079 4.539 4.470 -0.017 0.000 0.294 1185 S C 1.356 175.958 174.600 0.005 0.000 1.279 1185 S CA -0.512 57.691 58.200 0.005 0.000 1.069 1185 S CB -0.049 63.153 63.200 0.003 0.000 0.828 1185 S HN 0.653 nan 8.310 nan 0.000 0.497 1186 L N 3.558 124.790 121.223 0.014 0.000 2.201 1186 L HA 0.051 4.381 4.340 -0.017 0.000 0.212 1186 L C 1.178 178.047 176.870 -0.002 0.000 1.105 1186 L CA 0.623 55.471 54.840 0.014 0.000 0.775 1186 L CB -0.296 41.784 42.059 0.035 0.000 0.913 1186 L HN 0.633 nan 8.230 nan 0.000 0.440 1187 N N -1.077 117.623 118.700 0.000 0.000 2.875 1187 N HA 0.109 4.839 4.740 -0.017 0.000 0.253 1187 N C -2.348 173.162 175.510 -0.000 0.000 1.296 1187 N CA -0.995 52.054 53.050 -0.003 0.000 0.816 1187 N CB 1.397 39.883 38.487 -0.001 0.000 1.504 1187 N HN -0.280 nan 8.380 nan 0.000 0.582 1188 P HA -0.023 nan 4.420 nan 0.000 0.220 1188 P C 1.075 178.371 177.300 -0.007 0.000 1.148 1188 P CA 0.839 63.935 63.100 -0.006 0.000 0.803 1188 P CB 0.372 32.065 31.700 -0.011 0.000 0.782 1189 A N 0.066 122.884 122.820 -0.002 0.000 1.873 1189 A HA -0.128 4.182 4.320 -0.017 0.000 0.215 1189 A C 2.294 179.885 177.584 0.011 0.000 1.186 1189 A CA 1.260 53.298 52.037 0.001 0.000 0.616 1189 A CB -1.488 17.517 19.000 0.009 0.000 0.823 1189 A HN 0.095 nan 8.150 nan 0.000 0.442 1190 I N 0.012 120.594 120.570 0.021 0.000 2.179 1190 I HA -0.244 3.916 4.170 -0.017 0.000 0.242 1190 I C 1.842 177.975 176.117 0.027 0.000 1.088 1190 I CA 1.567 62.887 61.300 0.033 0.000 1.357 1190 I CB -0.553 37.465 38.000 0.030 0.000 1.051 1190 I HN 0.249 nan 8.210 nan 0.000 0.409 1191 D N 1.028 121.438 120.400 0.016 0.000 2.117 1191 D HA -0.124 4.506 4.640 -0.017 0.000 0.197 1191 D C 2.255 178.559 176.300 0.007 0.000 0.987 1191 D CA 1.297 55.306 54.000 0.015 0.000 0.829 1191 D CB -0.208 40.600 40.800 0.013 0.000 0.961 1191 D HN 0.337 nan 8.370 nan 0.000 0.460 1192 I N 0.904 121.468 120.570 -0.010 0.000 2.286 1192 I HA -0.161 3.999 4.170 -0.017 0.000 0.248 1192 I C 2.467 178.560 176.117 -0.040 0.000 1.115 1192 I CA 1.201 62.478 61.300 -0.039 0.000 1.392 1192 I CB -0.387 37.577 38.000 -0.060 0.000 1.065 1192 I HN 0.022 nan 8.210 nan 0.000 0.418 1193 G N -0.031 108.762 108.800 -0.012 0.000 2.422 1193 G HA2 -0.216 3.734 3.960 -0.017 0.000 0.218 1193 G HA3 -0.216 3.734 3.960 -0.017 0.000 0.218 1193 G C 1.584 176.509 174.900 0.041 0.000 1.146 1193 G CA 0.311 45.416 45.100 0.008 0.000 0.769 1193 G HN 0.287 nan 8.290 nan 0.000 0.547 1194 Q N 0.161 119.990 119.800 0.049 0.000 2.119 1194 Q HA -0.016 4.314 4.340 -0.017 0.000 0.201 1194 Q C 2.986 179.033 176.000 0.078 0.000 0.972 1194 Q CA 0.854 56.700 55.803 0.072 0.000 0.847 1194 Q CB -0.626 28.146 28.738 0.058 0.000 0.903 1194 Q HN 0.412 nan 8.270 nan 0.000 0.433 1195 V N 1.600 121.546 119.914 0.054 0.000 2.261 1195 V HA -0.268 3.842 4.120 -0.017 0.000 0.246 1195 V C 2.182 178.354 176.094 0.130 0.000 1.047 1195 V CA 2.022 64.366 62.300 0.074 0.000 1.015 1195 V CB -0.566 31.273 31.823 0.027 0.000 0.642 1195 V HN 0.384 nan 8.190 nan 0.000 0.446 1196 E N 0.273 120.506 120.200 0.056 0.000 2.058 1196 E HA -0.185 4.155 4.350 -0.017 0.000 0.194 1196 E C 2.323 179.076 176.600 0.256 0.000 0.997 1196 E CA 1.386 57.852 56.400 0.110 0.000 0.801 1196 E CB -0.579 29.035 29.700 -0.144 0.000 0.746 1196 E HN 0.646 nan 8.360 nan 0.000 0.450 1197 G N 1.090 109.986 108.800 0.159 0.000 2.421 1197 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.216 1197 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.216 1197 G C 1.700 176.691 174.900 0.151 0.000 1.171 1197 G CA 0.944 46.135 45.100 0.152 0.000 0.775 1197 G HN 0.352 nan 8.290 nan 0.000 0.543 1198 A N 0.495 123.412 122.820 0.163 0.000 1.877 1198 A HA 0.044 4.354 4.320 -0.017 0.000 0.216 1198 A C 2.197 179.866 177.584 0.143 0.000 1.186 1198 A CA 1.633 53.750 52.037 0.133 0.000 0.620 1198 A CB -0.640 18.427 19.000 0.113 0.000 0.822 1198 A HN 0.443 nan 8.150 nan 0.000 0.443 1199 F N 0.754 120.757 119.950 0.089 0.000 2.126 1199 F HA -0.182 4.334 4.527 -0.019 0.000 0.299 1199 F C 2.145 177.974 175.800 0.049 0.000 1.096 1199 F CA 2.108 60.164 58.000 0.094 0.000 1.255 1199 F CB -0.191 38.914 39.000 0.175 0.000 0.997 1199 F HN 0.030 nan 8.300 nan 0.000 0.479 1200 V N 0.326 120.353 119.914 0.188 0.000 2.427 1200 V HA -0.282 3.828 4.120 -0.017 0.000 0.248 1200 V C 2.297 178.312 176.094 -0.132 0.000 1.051 1200 V CA 2.044 64.350 62.300 0.011 0.000 1.048 1200 V CB -0.742 31.153 31.823 0.120 0.000 0.666 1200 V HN 0.408 nan 8.190 nan 0.000 0.456 1201 Q N -0.091 119.648 119.800 -0.101 0.000 2.170 1201 Q HA -0.146 4.184 4.340 -0.017 0.000 0.203 1201 Q C 2.332 178.178 176.000 -0.256 0.000 0.976 1201 Q CA 1.627 57.334 55.803 -0.160 0.000 0.858 1201 Q CB -0.391 28.281 28.738 -0.110 0.000 0.907 1201 Q HN 0.737 nan 8.270 nan 0.000 0.433 1202 G N 1.073 109.719 108.800 -0.257 0.000 2.394 1202 G HA2 -0.216 3.734 3.960 -0.017 0.000 0.215 1202 G HA3 -0.216 3.734 3.960 -0.017 0.000 0.215 1202 G C 1.409 176.127 174.900 -0.304 0.000 1.165 1202 G CA 0.710 45.625 45.100 -0.308 0.000 0.784 1202 G HN 0.341 nan 8.290 nan 0.000 0.535 1203 L N 1.945 122.930 121.223 -0.396 0.000 2.043 1203 L HA 0.086 4.416 4.340 -0.017 0.000 0.212 1203 L C 2.467 179.210 176.870 -0.212 0.000 1.075 1203 L CA 2.580 57.231 54.840 -0.314 0.000 0.752 1203 L CB -1.357 40.450 42.059 -0.421 0.000 0.891 1203 L HN 0.125 nan 8.230 nan 0.000 0.432 1204 G N 0.051 108.701 108.800 -0.249 0.000 2.459 1204 G HA2 -0.302 3.648 3.960 -0.017 0.000 0.217 1204 G HA3 -0.302 3.648 3.960 -0.017 0.000 0.217 1204 G C 1.608 176.321 174.900 -0.312 0.000 1.183 1204 G CA 1.076 46.024 45.100 -0.253 0.000 0.776 1204 G HN 0.498 nan 8.290 nan 0.000 0.552 1205 L N -0.244 120.707 121.223 -0.452 0.000 2.043 1205 L HA 0.044 4.374 4.340 -0.017 0.000 0.212 1205 L C 2.433 178.938 176.870 -0.608 0.000 1.075 1205 L CA 1.745 56.197 54.840 -0.646 0.000 0.752 1205 L CB -0.603 40.837 42.059 -1.032 0.000 0.891 1205 L HN 0.271 nan 8.230 nan 0.000 0.432 1206 F N -1.534 118.249 119.950 -0.278 0.000 2.664 1206 F HA 0.020 4.538 4.527 -0.015 0.000 0.296 1206 F C 1.960 177.718 175.800 -0.069 0.000 1.125 1206 F CA 0.780 58.625 58.000 -0.258 0.000 1.444 1206 F CB -0.112 38.724 39.000 -0.272 0.000 1.114 1206 F HN 0.318 nan 8.300 nan 0.000 0.576 1207 T N -4.939 109.637 114.554 0.037 0.000 3.029 1207 T HA 0.181 4.520 4.350 -0.017 0.000 0.256 1207 T C 1.065 175.759 174.700 -0.011 0.000 0.914 1207 T CA 0.116 62.237 62.100 0.036 0.000 0.880 1207 T CB 0.077 68.969 68.868 0.040 0.000 1.246 1207 T HN -0.006 nan 8.240 nan 0.000 0.523 1208 L N 0.688 121.854 121.223 -0.095 0.000 2.663 1208 L HA 0.561 4.891 4.340 -0.017 0.000 0.218 1208 L C 0.369 177.096 176.870 -0.239 0.000 1.043 1208 L CA 0.546 55.298 54.840 -0.146 0.000 0.876 1208 L CB -0.034 41.914 42.059 -0.184 0.000 1.263 1208 L HN 0.286 nan 8.230 nan 0.000 0.486 1209 E N 1.298 121.317 120.200 -0.302 0.000 2.152 1209 E HA 0.247 4.587 4.350 -0.017 0.000 0.285 1209 E C -0.335 176.140 176.600 -0.207 0.000 1.043 1209 E CA 0.023 56.138 56.400 -0.475 0.000 0.839 1209 E CB 0.897 30.324 29.700 -0.455 0.000 1.069 1209 E HN 0.077 nan 8.360 nan 0.000 0.399 1210 E N 4.726 124.843 120.200 -0.138 0.000 2.244 1210 E HA 0.235 4.575 4.350 -0.017 0.000 0.260 1210 E C -1.226 175.527 176.600 0.255 0.000 0.884 1210 E CA -0.529 55.919 56.400 0.081 0.000 0.777 1210 E CB 0.898 30.619 29.700 0.035 0.000 1.197 1210 E HN 0.408 nan 8.360 nan 0.000 0.416 1211 L N 3.649 125.052 121.223 0.300 0.000 2.350 1211 L HA 0.430 4.760 4.340 -0.017 0.000 0.275 1211 L C -0.256 176.717 176.870 0.172 0.000 1.099 1211 L CA -0.658 54.301 54.840 0.199 0.000 0.808 1211 L CB 0.897 43.033 42.059 0.128 0.000 1.149 1211 L HN 0.566 nan 8.230 nan 0.000 0.442 1212 H N 1.852 120.840 119.070 -0.137 0.000 2.667 1212 H HA 0.514 5.060 4.556 -0.016 0.000 0.353 1212 H C -1.656 173.544 175.328 -0.213 0.000 1.072 1212 H CA -0.609 55.431 56.048 -0.013 0.000 1.214 1212 H CB 1.130 30.955 29.762 0.104 0.000 1.600 1212 H HN 0.288 nan 8.280 nan 0.000 0.527 1213 Y N 1.621 121.756 120.300 -0.276 0.000 2.485 1213 Y HA 0.338 4.877 4.550 -0.017 0.000 0.345 1213 Y C 0.623 176.283 175.900 -0.399 0.000 0.998 1213 Y CA -0.745 57.173 58.100 -0.303 0.000 1.059 1213 Y CB 1.829 40.201 38.460 -0.146 0.000 1.234 1213 Y HN 0.731 nan 8.280 nan 0.000 0.461 1214 S N 1.566 117.074 115.700 -0.319 0.000 2.589 1214 S HA 0.129 4.589 4.470 -0.017 0.000 0.265 1214 S C -1.973 172.622 174.600 -0.008 0.000 1.342 1214 S CA -0.855 57.300 58.200 -0.077 0.000 1.005 1214 S CB 0.849 63.966 63.200 -0.137 0.000 0.909 1214 S HN 0.505 nan 8.310 nan 0.000 0.555 1215 P HA -0.040 nan 4.420 nan 0.000 0.219 1215 P C 0.763 178.060 177.300 -0.006 0.000 1.146 1215 P CA 1.097 64.206 63.100 0.015 0.000 0.808 1215 P CB -0.053 31.663 31.700 0.028 0.000 0.779 1216 E N -1.372 118.821 120.200 -0.012 0.000 2.511 1216 E HA 0.114 4.454 4.350 -0.017 0.000 0.196 1216 E C 1.078 177.659 176.600 -0.032 0.000 1.066 1216 E CA 0.484 56.870 56.400 -0.024 0.000 0.871 1216 E CB -0.440 29.244 29.700 -0.027 0.000 0.863 1216 E HN 0.202 nan 8.360 nan 0.000 0.520 1217 G N 1.717 110.501 108.800 -0.028 0.000 2.132 1217 G HA2 -0.255 3.695 3.960 -0.017 0.000 0.234 1217 G HA3 -0.255 3.695 3.960 -0.017 0.000 0.234 1217 G C 0.135 175.063 174.900 0.047 0.000 0.989 1217 G CA 0.354 45.442 45.100 -0.019 0.000 0.676 1217 G HN 0.226 nan 8.290 nan 0.000 0.522 1218 S N -0.191 115.502 115.700 -0.011 0.000 2.438 1218 S HA 0.616 5.076 4.470 -0.017 0.000 0.293 1218 S C 0.431 174.931 174.600 -0.166 0.000 1.141 1218 S CA -0.664 57.502 58.200 -0.057 0.000 1.080 1218 S CB 0.812 63.938 63.200 -0.124 0.000 0.978 1218 S HN 1.069 nan 8.310 nan 0.000 0.479 1219 L N 6.574 127.747 121.223 -0.083 0.000 2.513 1219 L HA 0.185 4.515 4.340 -0.017 0.000 0.272 1219 L C 1.150 177.852 176.870 -0.279 0.000 1.187 1219 L CA 0.894 55.543 54.840 -0.317 0.000 0.895 1219 L CB 0.211 42.148 42.059 -0.203 0.000 1.147 1219 L HN 0.797 nan 8.230 nan 0.000 0.483 1220 H N 1.832 120.797 119.070 -0.174 0.000 2.486 1220 H HA 0.092 4.638 4.556 -0.017 0.000 0.287 1220 H C 0.281 175.606 175.328 -0.005 0.000 1.010 1220 H CA 1.068 57.088 56.048 -0.046 0.000 1.324 1220 H CB 0.060 29.834 29.762 0.020 0.000 1.446 1220 H HN 0.674 nan 8.280 nan 0.000 0.537 1221 T N -0.048 114.558 114.554 0.087 0.000 2.891 1221 T HA 0.415 4.755 4.350 -0.017 0.000 0.315 1221 T C 0.738 175.471 174.700 0.055 0.000 1.054 1221 T CA -0.650 61.518 62.100 0.114 0.000 0.958 1221 T CB 0.618 69.592 68.868 0.176 0.000 1.008 1221 T HN 0.166 nan 8.240 nan 0.000 0.521 1222 R N 1.820 122.369 120.500 0.082 0.000 2.629 1222 R HA 0.480 4.810 4.340 -0.017 0.000 0.386 1222 R C 0.694 177.052 176.300 0.097 0.000 1.071 1222 R CA -0.521 55.612 56.100 0.055 0.000 1.104 1222 R CB 1.111 31.440 30.300 0.048 0.000 1.370 1222 R HN 0.835 nan 8.270 nan 0.000 0.574 1223 G N 0.250 109.156 108.800 0.176 0.000 2.441 1223 G HA2 0.116 4.066 3.960 -0.017 0.000 0.294 1223 G HA3 0.116 4.066 3.960 -0.017 0.000 0.294 1223 G C -2.646 172.456 174.900 0.336 0.000 1.393 1223 G CA -0.743 44.508 45.100 0.252 0.000 0.796 1223 G HN -0.289 nan 8.290 nan 0.000 0.494 1224 P HA -0.022 nan 4.420 nan 0.000 0.226 1224 P C 1.861 179.228 177.300 0.111 0.000 1.153 1224 P CA 1.788 65.018 63.100 0.216 0.000 0.777 1224 P CB 0.144 31.974 31.700 0.215 0.000 0.794 1225 S N -0.586 115.183 115.700 0.116 0.000 2.428 1225 S HA -0.072 4.388 4.470 -0.017 0.000 0.230 1225 S C 1.652 176.292 174.600 0.066 0.000 1.014 1225 S CA 1.658 59.902 58.200 0.072 0.000 0.957 1225 S CB -1.616 61.624 63.200 0.067 0.000 0.784 1225 S HN 0.324 nan 8.310 nan 0.000 0.499 1226 T N -3.485 111.134 114.554 0.108 0.000 3.043 1226 T HA 0.319 4.659 4.350 -0.017 0.000 0.272 1226 T C -0.373 174.421 174.700 0.157 0.000 0.990 1226 T CA -0.508 61.656 62.100 0.107 0.000 0.897 1226 T CB -0.254 68.688 68.868 0.122 0.000 1.111 1226 T HN 0.396 nan 8.240 nan 0.000 0.529 1227 Y N 2.063 122.375 120.300 0.019 0.000 2.327 1227 Y HA 0.566 5.106 4.550 -0.016 0.000 0.325 1227 Y C -1.398 174.445 175.900 -0.094 0.000 0.999 1227 Y CA -1.333 56.764 58.100 -0.006 0.000 1.195 1227 Y CB 1.289 39.788 38.460 0.064 0.000 1.132 1227 Y HN -0.205 nan 8.280 nan 0.000 0.455 1228 K N 8.538 128.637 120.400 -0.501 0.000 2.300 1228 K HA 0.313 4.623 4.320 -0.017 0.000 0.264 1228 K C -0.201 176.090 176.600 -0.516 0.000 1.083 1228 K CA -0.396 55.658 56.287 -0.388 0.000 0.958 1228 K CB 0.353 32.702 32.500 -0.252 0.000 1.318 1228 K HN 0.849 nan 8.250 nan 0.000 0.448 1229 I N -0.503 119.775 120.570 -0.485 0.000 2.764 1229 I HA 0.376 4.536 4.170 -0.017 0.000 0.294 1229 I C -2.008 173.946 176.117 -0.273 0.000 1.045 1229 I CA -2.296 58.764 61.300 -0.398 0.000 1.340 1229 I CB 0.169 37.917 38.000 -0.419 0.000 1.436 1229 I HN 0.190 nan 8.210 nan 0.000 0.567 1230 P HA 0.130 nan 4.420 nan 0.000 0.264 1230 P C -0.772 176.446 177.300 -0.136 0.000 1.183 1230 P CA 0.128 63.132 63.100 -0.160 0.000 0.763 1230 P CB 0.624 32.239 31.700 -0.140 0.000 0.807 1231 A N 2.228 124.993 122.820 -0.092 0.000 2.282 1231 A HA 0.487 4.797 4.320 -0.017 0.000 0.324 1231 A C 0.770 178.358 177.584 0.007 0.000 1.119 1231 A CA -0.538 51.485 52.037 -0.024 0.000 0.880 1231 A CB -0.032 18.977 19.000 0.015 0.000 1.294 1231 A HN 0.429 nan 8.150 nan 0.000 0.493 1232 F N 0.531 120.471 119.950 -0.016 0.000 2.115 1232 F HA -0.170 4.347 4.527 -0.017 0.000 0.300 1232 F C 2.486 178.282 175.800 -0.007 0.000 1.092 1232 F CA 2.647 60.649 58.000 0.003 0.000 1.245 1232 F CB -0.289 38.715 39.000 0.006 0.000 0.995 1232 F HN 0.632 nan 8.300 nan 0.000 0.481 1233 G N -2.088 106.810 108.800 0.163 0.000 2.920 1233 G HA2 -0.050 3.900 3.960 -0.017 0.000 0.208 1233 G HA3 -0.050 3.900 3.960 -0.017 0.000 0.208 1233 G C 1.483 176.381 174.900 -0.005 0.000 1.159 1233 G CA 0.670 45.809 45.100 0.065 0.000 0.784 1233 G HN 0.328 nan 8.290 nan 0.000 0.535 1234 S N 0.104 115.790 115.700 -0.023 0.000 2.478 1234 S HA 0.155 4.615 4.470 -0.017 0.000 0.222 1234 S C 1.193 175.744 174.600 -0.081 0.000 1.008 1234 S CA -0.262 57.892 58.200 -0.077 0.000 0.928 1234 S CB -0.080 63.065 63.200 -0.091 0.000 0.781 1234 S HN 0.607 nan 8.310 nan 0.000 0.518 1235 I N 0.280 120.818 120.570 -0.053 0.000 2.823 1235 I HA 0.378 4.537 4.170 -0.017 0.000 0.290 1235 I C -2.902 173.143 176.117 -0.119 0.000 1.091 1235 I CA -2.574 58.670 61.300 -0.093 0.000 1.365 1235 I CB -0.183 37.812 38.000 -0.008 0.000 1.427 1235 I HN -0.211 nan 8.210 nan 0.000 0.583 1236 P HA 0.036 nan 4.420 nan 0.000 0.264 1236 P C 0.448 177.713 177.300 -0.058 0.000 1.183 1236 P CA 0.127 63.123 63.100 -0.173 0.000 0.763 1236 P CB 0.570 32.086 31.700 -0.307 0.000 0.807 1237 T N 1.182 115.720 114.554 -0.027 0.000 2.720 1237 T HA -0.144 4.196 4.350 -0.017 0.000 0.268 1237 T C 0.388 175.113 174.700 0.042 0.000 1.037 1237 T CA 1.472 63.578 62.100 0.010 0.000 1.144 1237 T CB -0.230 68.635 68.868 -0.005 0.000 0.864 1237 T HN 0.513 nan 8.240 nan 0.000 0.444 1238 E N 0.169 120.390 120.200 0.035 0.000 2.145 1238 E HA 0.458 4.798 4.350 -0.017 0.000 0.270 1238 E C -1.501 175.171 176.600 0.120 0.000 0.906 1238 E CA -0.335 56.103 56.400 0.063 0.000 0.761 1238 E CB 1.455 31.170 29.700 0.025 0.000 1.116 1238 E HN 0.331 nan 8.360 nan 0.000 0.408 1239 F N 4.400 124.316 119.950 -0.057 0.000 2.610 1239 F HA 0.421 4.938 4.527 -0.016 0.000 0.355 1239 F C -0.750 174.989 175.800 -0.101 0.000 1.140 1239 F CA -0.892 57.052 58.000 -0.094 0.000 1.037 1239 F CB 0.688 39.646 39.000 -0.070 0.000 1.287 1239 F HN 0.293 nan 8.300 nan 0.000 0.457 1240 R N 5.182 125.758 120.500 0.128 0.000 2.494 1240 R HA 0.689 5.018 4.340 -0.017 0.000 0.305 1240 R C -1.527 174.717 176.300 -0.093 0.000 0.959 1240 R CA -1.037 55.041 56.100 -0.038 0.000 0.864 1240 R CB 2.833 33.121 30.300 -0.020 0.000 1.159 1240 R HN 0.299 nan 8.270 nan 0.000 0.446 1241 V N 1.844 121.666 119.914 -0.154 0.000 2.531 1241 V HA 0.395 4.505 4.120 -0.017 0.000 0.301 1241 V C -0.507 175.533 176.094 -0.091 0.000 1.034 1241 V CA -0.668 61.550 62.300 -0.137 0.000 0.865 1241 V CB 2.142 33.845 31.823 -0.199 0.000 0.995 1241 V HN 0.786 nan 8.190 nan 0.000 0.424 1242 S N 5.043 120.708 115.700 -0.058 0.000 2.513 1242 S HA 0.721 5.181 4.470 -0.017 0.000 0.299 1242 S C -0.655 173.932 174.600 -0.021 0.000 1.087 1242 S CA -0.628 57.548 58.200 -0.039 0.000 1.012 1242 S CB 1.612 64.794 63.200 -0.031 0.000 1.044 1242 S HN 0.528 nan 8.310 nan 0.000 0.485 1243 L N 2.855 124.068 121.223 -0.016 0.000 2.289 1243 L HA 0.451 4.781 4.340 -0.017 0.000 0.285 1243 L C -0.174 176.699 176.870 0.004 0.000 1.049 1243 L CA -0.900 53.940 54.840 -0.001 0.000 0.804 1243 L CB 0.743 42.801 42.059 -0.002 0.000 1.195 1243 L HN 0.491 nan 8.230 nan 0.000 0.428 1244 L N 4.250 125.482 121.223 0.015 0.000 2.490 1244 L HA 0.118 4.448 4.340 -0.017 0.000 0.274 1244 L C 0.364 177.241 176.870 0.011 0.000 1.201 1244 L CA 0.608 55.457 54.840 0.016 0.000 0.869 1244 L CB 0.225 42.300 42.059 0.028 0.000 1.123 1244 L HN 0.511 nan 8.230 nan 0.000 0.484 1245 R N 3.410 123.915 120.500 0.007 0.000 2.500 1245 R HA 0.259 4.589 4.340 -0.017 0.000 0.277 1245 R C -0.500 175.802 176.300 0.005 0.000 1.026 1245 R CA -0.622 55.480 56.100 0.003 0.000 1.058 1245 R CB 0.584 30.884 30.300 0.001 0.000 1.078 1245 R HN 0.748 nan 8.270 nan 0.000 0.509 1246 D N 0.707 121.109 120.400 0.002 0.000 2.737 1246 D HA -0.142 4.488 4.640 -0.017 0.000 0.238 1246 D C -0.386 175.916 176.300 0.004 0.000 1.157 1246 D CA 0.938 54.939 54.000 0.002 0.000 0.694 1246 D CB -1.182 39.620 40.800 0.003 0.000 1.021 1246 D HN 0.704 nan 8.370 nan 0.000 0.420 1247 C N -1.500 117.802 119.300 0.003 0.000 3.359 1247 C HA 0.384 4.833 4.460 -0.017 0.000 0.194 1247 C C -2.244 172.742 174.990 -0.007 0.000 1.659 1247 C CA -1.825 57.195 59.018 0.005 0.000 1.338 1247 C CB 0.380 28.130 27.740 0.017 0.000 2.109 1247 C HN 0.096 nan 8.230 nan 0.000 0.518 1248 P HA 0.071 nan 4.420 nan 0.000 0.265 1248 P C -0.455 176.810 177.300 -0.058 0.000 1.193 1248 P CA 0.748 63.829 63.100 -0.031 0.000 0.765 1248 P CB 0.702 32.389 31.700 -0.023 0.000 0.823 1249 N N 2.412 121.051 118.700 -0.102 0.000 2.527 1249 N HA 0.080 4.810 4.740 -0.017 0.000 0.236 1249 N C 0.849 176.250 175.510 -0.182 0.000 0.999 1249 N CA -0.331 52.608 53.050 -0.185 0.000 0.935 1249 N CB 0.320 38.608 38.487 -0.333 0.000 1.132 1249 N HN 0.125 nan 8.380 nan 0.000 0.511 1250 K N 1.522 121.839 120.400 -0.137 0.000 2.286 1250 K HA -0.087 4.223 4.320 -0.017 0.000 0.203 1250 K C 0.865 177.386 176.600 -0.132 0.000 1.045 1250 K CA 0.977 57.198 56.287 -0.110 0.000 0.935 1250 K CB 0.238 32.695 32.500 -0.072 0.000 0.737 1250 K HN 0.440 nan 8.250 nan 0.000 0.460 1251 K N -0.206 120.065 120.400 -0.215 0.000 2.426 1251 K HA 0.130 4.440 4.320 -0.017 0.000 0.193 1251 K C 0.434 177.010 176.600 -0.041 0.000 1.028 1251 K CA 0.225 56.397 56.287 -0.193 0.000 1.047 1251 K CB 0.755 32.989 32.500 -0.444 0.000 0.821 1251 K HN 0.087 nan 8.250 nan 0.000 0.513 1252 A N 0.837 123.562 122.820 -0.158 0.000 2.532 1252 A HA 0.473 4.783 4.320 -0.017 0.000 0.290 1252 A C -0.741 176.729 177.584 -0.190 0.000 1.143 1252 A CA -0.880 51.090 52.037 -0.112 0.000 0.728 1252 A CB 0.868 19.822 19.000 -0.077 0.000 1.317 1252 A HN 0.131 nan 8.150 nan 0.000 0.414 1253 I N 0.891 121.314 120.570 -0.244 0.000 2.919 1253 I HA 0.007 4.167 4.170 -0.017 0.000 0.299 1253 I C 0.105 176.097 176.117 -0.209 0.000 1.221 1253 I CA 1.414 62.497 61.300 -0.362 0.000 1.424 1253 I CB -1.027 36.765 38.000 -0.347 0.000 1.358 1253 I HN 0.632 nan 8.210 nan 0.000 0.551 1254 Y N 5.614 125.810 120.300 -0.174 0.000 3.617 1254 Y HA -0.296 4.244 4.550 -0.017 0.000 0.215 1254 Y C 1.414 177.254 175.900 -0.099 0.000 1.178 1254 Y CA 0.563 58.590 58.100 -0.121 0.000 1.517 1254 Y CB -1.774 36.635 38.460 -0.085 0.000 1.457 1254 Y HN 1.052 nan 8.280 nan 0.000 0.615 1255 A N -1.396 121.417 122.820 -0.012 0.000 3.021 1255 A HA -0.254 4.056 4.320 -0.017 0.000 0.257 1255 A C 0.992 178.537 177.584 -0.064 0.000 1.277 1255 A CA 0.992 52.999 52.037 -0.049 0.000 1.012 1255 A CB -2.004 16.986 19.000 -0.017 0.000 1.147 1255 A HN 1.299 nan 8.150 nan 0.000 0.861 1256 S N -0.810 114.859 115.700 -0.052 0.000 2.655 1256 S HA 0.751 5.211 4.470 -0.017 0.000 0.265 1256 S C -0.091 174.460 174.600 -0.082 0.000 1.240 1256 S CA -0.009 58.168 58.200 -0.038 0.000 0.986 1256 S CB 1.383 64.586 63.200 0.003 0.000 0.985 1256 S HN 0.563 nan 8.310 nan 0.000 0.562 1257 K N -0.223 120.170 120.400 -0.012 0.000 2.477 1257 K HA 0.633 4.943 4.320 -0.017 0.000 0.255 1257 K C -0.675 176.012 176.600 0.146 0.000 0.952 1257 K CA -0.874 55.459 56.287 0.078 0.000 0.826 1257 K CB 2.188 34.745 32.500 0.095 0.000 1.331 1257 K HN 0.845 nan 8.250 nan 0.000 0.437 1258 A N 1.076 124.040 122.820 0.240 0.000 2.531 1258 A HA 0.104 4.414 4.320 -0.017 0.000 0.236 1258 A C 0.611 178.233 177.584 0.063 0.000 1.062 1258 A CA 0.078 52.180 52.037 0.109 0.000 0.760 1258 A CB 0.413 19.445 19.000 0.054 0.000 0.995 1258 A HN 0.535 nan 8.150 nan 0.000 0.501 1259 V N 2.520 122.447 119.914 0.022 0.000 3.426 1259 V HA 0.227 4.337 4.120 -0.017 0.000 0.279 1259 V C 1.699 177.779 176.094 -0.023 0.000 1.544 1259 V CA 1.395 63.699 62.300 0.007 0.000 1.017 1259 V CB -0.075 31.763 31.823 0.025 0.000 0.821 1259 V HN 1.090 nan 8.190 nan 0.000 0.432 1260 G N 0.119 108.900 108.800 -0.032 0.000 2.421 1260 G HA2 -0.194 3.756 3.960 -0.017 0.000 0.216 1260 G HA3 -0.194 3.756 3.960 -0.017 0.000 0.216 1260 G C 1.241 176.108 174.900 -0.054 0.000 1.171 1260 G CA 1.359 46.450 45.100 -0.014 0.000 0.775 1260 G HN 0.587 nan 8.290 nan 0.000 0.543 1261 E N 0.234 120.314 120.200 -0.200 0.000 2.201 1261 E HA 0.021 4.361 4.350 -0.017 0.000 0.193 1261 E C -0.242 175.992 176.600 -0.611 0.000 0.957 1261 E CA -0.022 56.149 56.400 -0.383 0.000 0.858 1261 E CB 0.032 29.390 29.700 -0.570 0.000 0.816 1261 E HN 0.264 nan 8.360 nan 0.000 0.475 1262 P HA -0.159 nan 4.420 nan 0.000 0.217 1262 P C -1.712 175.520 177.300 -0.115 0.000 1.151 1262 P CA 1.804 64.614 63.100 -0.483 0.000 0.849 1262 P CB -0.801 30.799 31.700 -0.168 0.000 0.787 1263 P HA -0.011 nan 4.420 nan 0.000 0.233 1263 P C 1.498 178.886 177.300 0.147 0.000 1.167 1263 P CA 0.498 63.660 63.100 0.104 0.000 0.770 1263 P CB -0.404 31.368 31.700 0.119 0.000 0.837 1264 L N -1.213 120.054 121.223 0.074 0.000 2.017 1264 L HA -0.138 4.192 4.340 -0.017 0.000 0.208 1264 L C 2.172 179.138 176.870 0.160 0.000 1.073 1264 L CA 1.541 56.430 54.840 0.082 0.000 0.745 1264 L CB -0.709 41.364 42.059 0.024 0.000 0.894 1264 L HN -0.110 nan 8.230 nan 0.000 0.432 1265 F N 0.205 120.222 119.950 0.111 0.000 2.307 1265 F HA -0.204 4.313 4.527 -0.016 0.000 0.301 1265 F C 1.867 177.792 175.800 0.207 0.000 1.076 1265 F CA 1.307 59.440 58.000 0.222 0.000 1.383 1265 F CB -0.295 38.821 39.000 0.193 0.000 1.055 1265 F HN 0.021 nan 8.300 nan 0.000 0.526 1266 L N -0.145 121.106 121.223 0.048 0.000 2.349 1266 L HA -0.152 4.178 4.340 -0.017 0.000 0.220 1266 L C 2.692 179.563 176.870 0.002 0.000 1.130 1266 L CA 0.929 55.800 54.840 0.052 0.000 0.791 1266 L CB -1.529 40.714 42.059 0.306 0.000 0.918 1266 L HN 0.340 nan 8.230 nan 0.000 0.444 1267 G N -0.052 108.601 108.800 -0.246 0.000 2.462 1267 G HA2 -0.248 3.702 3.960 -0.017 0.000 0.220 1267 G HA3 -0.248 3.702 3.960 -0.017 0.000 0.220 1267 G C 1.741 176.465 174.900 -0.294 0.000 1.121 1267 G CA 0.721 45.433 45.100 -0.647 0.000 0.758 1267 G HN 0.483 nan 8.290 nan 0.000 0.559 1268 A N 1.355 123.907 122.820 -0.447 0.000 2.125 1268 A HA -0.004 4.306 4.320 -0.017 0.000 0.219 1268 A C 2.667 180.144 177.584 -0.178 0.000 1.156 1268 A CA 2.139 53.735 52.037 -0.734 0.000 0.671 1268 A CB -0.588 17.623 19.000 -1.315 0.000 0.794 1268 A HN 0.710 nan 8.150 nan 0.000 0.459 1269 S N -0.112 115.536 115.700 -0.086 0.000 2.387 1269 S HA -0.176 4.284 4.470 -0.017 0.000 0.230 1269 S C 1.699 176.354 174.600 0.092 0.000 1.035 1269 S CA 1.567 59.819 58.200 0.086 0.000 1.014 1269 S CB -1.065 62.217 63.200 0.137 0.000 0.836 1269 S HN 0.308 nan 8.310 nan 0.000 0.466 1270 V N 1.148 121.085 119.914 0.038 0.000 2.343 1270 V HA -0.102 4.008 4.120 -0.017 0.000 0.247 1270 V C 2.104 178.163 176.094 -0.059 0.000 1.051 1270 V CA 2.038 64.340 62.300 0.003 0.000 1.036 1270 V CB -1.122 30.691 31.823 -0.017 0.000 0.654 1270 V HN 0.546 nan 8.190 nan 0.000 0.451 1271 F N 0.531 120.333 119.950 -0.247 0.000 2.095 1271 F HA -0.207 4.312 4.527 -0.013 0.000 0.298 1271 F C 2.037 177.579 175.800 -0.431 0.000 1.104 1271 F CA 1.881 59.649 58.000 -0.388 0.000 1.232 1271 F CB -0.316 38.335 39.000 -0.581 0.000 0.987 1271 F HN 0.126 nan 8.300 nan 0.000 0.475 1272 F N 0.095 120.124 119.950 0.132 0.000 2.325 1272 F HA 0.014 4.529 4.527 -0.020 0.000 0.299 1272 F C 2.471 178.246 175.800 -0.041 0.000 1.090 1272 F CA 0.725 58.754 58.000 0.049 0.000 1.392 1272 F CB -1.052 37.988 39.000 0.066 0.000 1.053 1272 F HN 0.065 nan 8.300 nan 0.000 0.521 1273 A N 0.676 123.539 122.820 0.071 0.000 1.902 1273 A HA -0.161 4.149 4.320 -0.017 0.000 0.217 1273 A C 2.219 179.756 177.584 -0.078 0.000 1.181 1273 A CA 1.567 53.608 52.037 0.006 0.000 0.623 1273 A CB -1.020 17.980 19.000 0.000 0.000 0.818 1273 A HN 0.381 nan 8.150 nan 0.000 0.443 1274 I N -0.701 119.752 120.570 -0.195 0.000 2.226 1274 I HA -0.274 3.886 4.170 -0.017 0.000 0.245 1274 I C 2.572 178.561 176.117 -0.212 0.000 1.100 1274 I CA 1.860 62.997 61.300 -0.271 0.000 1.374 1274 I CB -0.257 37.469 38.000 -0.457 0.000 1.057 1274 I HN 0.369 nan 8.210 nan 0.000 0.413 1275 K N 0.720 120.957 120.400 -0.271 0.000 2.097 1275 K HA -0.269 4.041 4.320 -0.017 0.000 0.206 1275 K C 1.784 178.425 176.600 0.070 0.000 1.049 1275 K CA 2.006 58.227 56.287 -0.111 0.000 0.933 1275 K CB -0.089 32.315 32.500 -0.159 0.000 0.717 1275 K HN 0.180 nan 8.250 nan 0.000 0.442 1276 D N 0.006 120.434 120.400 0.046 0.000 2.097 1276 D HA -0.132 4.498 4.640 -0.017 0.000 0.195 1276 D C 1.666 178.000 176.300 0.056 0.000 0.989 1276 D CA 1.571 55.613 54.000 0.070 0.000 0.827 1276 D CB -0.077 40.757 40.800 0.057 0.000 0.966 1276 D HN 0.293 nan 8.370 nan 0.000 0.456 1277 A N 0.129 122.959 122.820 0.017 0.000 1.902 1277 A HA -0.129 4.181 4.320 -0.017 0.000 0.217 1277 A C 2.478 180.077 177.584 0.025 0.000 1.181 1277 A CA 1.341 53.386 52.037 0.012 0.000 0.623 1277 A CB -0.829 18.161 19.000 -0.017 0.000 0.818 1277 A HN 0.388 nan 8.150 nan 0.000 0.443 1278 I N -0.900 119.689 120.570 0.032 0.000 2.179 1278 I HA -0.285 3.875 4.170 -0.017 0.000 0.242 1278 I C 2.751 178.869 176.117 0.003 0.000 1.088 1278 I CA 1.387 62.695 61.300 0.014 0.000 1.357 1278 I CB -0.390 37.640 38.000 0.049 0.000 1.051 1278 I HN 0.292 nan 8.210 nan 0.000 0.409 1279 R N 0.785 121.370 120.500 0.141 0.000 2.103 1279 R HA -0.203 4.127 4.340 -0.017 0.000 0.242 1279 R C 2.446 178.772 176.300 0.044 0.000 1.142 1279 R CA 1.661 57.850 56.100 0.148 0.000 0.960 1279 R CB -0.577 29.854 30.300 0.219 0.000 0.858 1279 R HN 0.408 nan 8.270 nan 0.000 0.439 1280 A N 1.188 124.026 122.820 0.031 0.000 1.902 1280 A HA -0.115 4.195 4.320 -0.017 0.000 0.217 1280 A C 2.385 179.940 177.584 -0.048 0.000 1.181 1280 A CA 1.691 53.726 52.037 -0.003 0.000 0.623 1280 A CB -0.587 18.422 19.000 0.015 0.000 0.818 1280 A HN 0.413 nan 8.150 nan 0.000 0.443 1281 A N -0.197 122.600 122.820 -0.038 0.000 1.933 1281 A HA -0.155 4.155 4.320 -0.017 0.000 0.218 1281 A C 2.241 179.778 177.584 -0.078 0.000 1.175 1281 A CA 1.516 53.522 52.037 -0.051 0.000 0.628 1281 A CB -0.427 18.579 19.000 0.011 0.000 0.814 1281 A HN 0.567 nan 8.150 nan 0.000 0.444 1282 R N -0.537 119.910 120.500 -0.090 0.000 2.092 1282 R HA -0.003 4.327 4.340 -0.017 0.000 0.231 1282 R C 2.446 178.703 176.300 -0.071 0.000 1.119 1282 R CA 1.059 57.101 56.100 -0.096 0.000 0.970 1282 R CB -0.455 29.739 30.300 -0.176 0.000 0.864 1282 R HN 0.489 nan 8.270 nan 0.000 0.440 1283 A N 0.977 123.757 122.820 -0.067 0.000 1.978 1283 A HA -0.260 4.050 4.320 -0.017 0.000 0.220 1283 A C 2.113 179.616 177.584 -0.135 0.000 1.170 1283 A CA 1.546 53.541 52.037 -0.070 0.000 0.636 1283 A CB -0.355 18.616 19.000 -0.048 0.000 0.810 1283 A HN 0.231 nan 8.150 nan 0.000 0.448 1284 Q N -1.361 118.304 119.800 -0.225 0.000 2.049 1284 Q HA -0.127 4.203 4.340 -0.017 0.000 0.198 1284 Q C 1.545 177.244 176.000 -0.501 0.000 0.971 1284 Q CA 1.991 57.526 55.803 -0.447 0.000 0.833 1284 Q CB -0.092 28.251 28.738 -0.657 0.000 0.896 1284 Q HN 0.752 nan 8.270 nan 0.000 0.434 1285 H N -2.249 116.746 119.070 -0.125 0.000 3.457 1285 H HA 0.315 4.869 4.556 -0.003 0.000 0.255 1285 H C 1.151 176.445 175.328 -0.058 0.000 1.082 1285 H CA 0.947 56.932 56.048 -0.105 0.000 1.189 1285 H CB 0.726 30.425 29.762 -0.104 0.000 1.511 1285 H HN 0.211 nan 8.280 nan 0.000 0.527 1286 T N 1.032 115.612 114.554 0.044 0.000 2.898 1286 T HA 0.046 4.385 4.350 -0.017 0.000 0.241 1286 T C 1.049 175.754 174.700 0.008 0.000 1.024 1286 T CA 0.642 62.753 62.100 0.019 0.000 1.174 1286 T CB 0.332 69.187 68.868 -0.021 0.000 0.873 1286 T HN 0.506 nan 8.240 nan 0.000 0.422 1287 N N -0.359 118.340 118.700 -0.002 0.000 3.522 1287 N HA 0.218 4.948 4.740 -0.017 0.000 0.328 1287 N C -0.973 174.536 175.510 -0.002 0.000 1.623 1287 N CA -0.766 52.286 53.050 0.003 0.000 0.812 1287 N CB 0.793 39.288 38.487 0.013 0.000 2.008 1287 N HN -0.090 nan 8.380 nan 0.000 0.601 1288 N N -0.544 118.159 118.700 0.006 0.000 2.177 1288 N HA 0.026 4.756 4.740 -0.017 0.000 0.218 1288 N C -0.801 174.719 175.510 0.017 0.000 1.182 1288 N CA -0.024 53.029 53.050 0.004 0.000 0.882 1288 N CB 0.046 38.535 38.487 0.003 0.000 1.052 1288 N HN 0.440 nan 8.380 nan 0.000 0.519 1289 N N 1.914 120.631 118.700 0.028 0.000 2.482 1289 N HA 0.021 4.751 4.740 -0.017 0.000 0.242 1289 N C 1.159 176.702 175.510 0.056 0.000 1.100 1289 N CA 0.129 53.205 53.050 0.043 0.000 0.946 1289 N CB 0.668 39.186 38.487 0.053 0.000 1.227 1289 N HN 0.109 nan 8.380 nan 0.000 0.508 1290 T N 0.428 115.013 114.554 0.051 0.000 3.035 1290 T HA 0.017 4.357 4.350 -0.017 0.000 0.268 1290 T C 0.981 175.729 174.700 0.079 0.000 1.109 1290 T CA 0.981 63.117 62.100 0.059 0.000 1.119 1290 T CB 0.048 68.943 68.868 0.046 0.000 0.900 1290 T HN 0.381 nan 8.240 nan 0.000 0.503 1291 K N 1.195 121.645 120.400 0.082 0.000 2.397 1291 K HA 0.210 4.520 4.320 -0.017 0.000 0.202 1291 K C 0.491 177.159 176.600 0.113 0.000 1.022 1291 K CA -0.220 56.123 56.287 0.095 0.000 1.141 1291 K CB 0.434 32.987 32.500 0.089 0.000 0.857 1291 K HN 0.573 nan 8.250 nan 0.000 0.514 1292 E N 1.904 122.180 120.200 0.127 0.000 2.414 1292 E HA 0.009 4.348 4.350 -0.017 0.000 0.263 1292 E C -0.880 175.839 176.600 0.198 0.000 1.000 1292 E CA -0.033 56.461 56.400 0.158 0.000 0.914 1292 E CB 0.531 30.331 29.700 0.167 0.000 0.948 1292 E HN 0.135 nan 8.360 nan 0.000 0.444 1293 L N 6.500 127.828 121.223 0.176 0.000 2.272 1293 L HA 0.397 4.727 4.340 -0.017 0.000 0.289 1293 L C -0.341 176.655 176.870 0.211 0.000 1.032 1293 L CA -0.947 53.976 54.840 0.138 0.000 0.810 1293 L CB 0.276 42.404 42.059 0.115 0.000 1.205 1293 L HN 0.486 nan 8.230 nan 0.000 0.422 1294 F N 0.688 120.701 119.950 0.106 0.000 2.522 1294 F HA 0.672 5.187 4.527 -0.021 0.000 0.324 1294 F C 0.012 175.893 175.800 0.135 0.000 1.077 1294 F CA -1.293 56.770 58.000 0.105 0.000 0.944 1294 F CB 1.054 40.103 39.000 0.083 0.000 1.175 1294 F HN 0.345 nan 8.300 nan 0.000 0.468 1295 R N 2.959 123.595 120.500 0.227 0.000 2.298 1295 R HA 0.535 4.865 4.340 -0.017 0.000 0.310 1295 R C -1.715 174.733 176.300 0.246 0.000 1.068 1295 R CA -0.600 55.609 56.100 0.182 0.000 0.957 1295 R CB 0.819 31.245 30.300 0.210 0.000 1.003 1295 R HN 0.863 nan 8.270 nan 0.000 0.454 1296 L N 5.207 126.549 121.223 0.198 0.000 2.377 1296 L HA 0.378 4.708 4.340 -0.017 0.000 0.270 1296 L C -1.234 175.905 176.870 0.448 0.000 0.991 1296 L CA -0.454 54.563 54.840 0.295 0.000 0.851 1296 L CB 1.384 43.557 42.059 0.190 0.000 1.218 1296 L HN 0.682 nan 8.230 nan 0.000 0.420 1297 D N 1.459 122.105 120.400 0.411 0.000 2.377 1297 D HA 0.271 4.901 4.640 -0.017 0.000 0.245 1297 D C -0.375 176.213 176.300 0.480 0.000 1.196 1297 D CA 0.018 54.293 54.000 0.457 0.000 0.962 1297 D CB 1.544 42.588 40.800 0.406 0.000 1.127 1297 D HN 0.435 nan 8.370 nan 0.000 0.471 1298 S N 0.060 115.928 115.700 0.281 0.000 2.509 1298 S HA 0.531 4.991 4.470 -0.017 0.000 0.297 1298 S C -2.672 171.959 174.600 0.051 0.000 1.118 1298 S CA -1.528 56.699 58.200 0.046 0.000 1.074 1298 S CB 1.243 64.074 63.200 -0.614 0.000 1.038 1298 S HN 0.148 nan 8.310 nan 0.000 0.498 1299 P HA 0.252 nan 4.420 nan 0.000 0.278 1299 P C -1.180 176.222 177.300 0.169 0.000 1.238 1299 P CA -0.485 62.661 63.100 0.076 0.000 0.794 1299 P CB 0.807 32.503 31.700 -0.007 0.000 0.955 1300 A N 2.705 125.661 122.820 0.227 0.000 2.990 1300 A HA 0.333 4.643 4.320 -0.017 0.000 0.282 1300 A C 0.994 178.587 177.584 0.014 0.000 1.688 1300 A CA -0.167 51.923 52.037 0.088 0.000 1.391 1300 A CB -1.447 17.463 19.000 -0.150 0.000 1.112 1300 A HN 0.605 nan 8.150 nan 0.000 0.588 1301 T N -0.804 113.772 114.554 0.036 0.000 2.788 1301 T HA 0.340 4.680 4.350 -0.017 0.000 0.287 1301 T C -1.626 173.085 174.700 0.018 0.000 1.007 1301 T CA -1.329 60.782 62.100 0.019 0.000 1.005 1301 T CB 0.475 69.350 68.868 0.012 0.000 1.012 1301 T HN 0.169 nan 8.240 nan 0.000 0.530 1302 P HA -0.155 nan 4.420 nan 0.000 0.216 1302 P C 1.537 178.844 177.300 0.011 0.000 1.154 1302 P CA 1.313 64.425 63.100 0.020 0.000 0.865 1302 P CB 0.027 31.732 31.700 0.009 0.000 0.789 1303 E N 0.338 120.541 120.200 0.006 0.000 2.049 1303 E HA -0.263 4.077 4.350 -0.017 0.000 0.198 1303 E C 1.758 178.374 176.600 0.028 0.000 1.007 1303 E CA 1.585 57.991 56.400 0.010 0.000 0.809 1303 E CB -0.201 29.500 29.700 0.002 0.000 0.749 1303 E HN 0.180 nan 8.360 nan 0.000 0.450 1304 K N 0.023 120.447 120.400 0.040 0.000 2.097 1304 K HA -0.096 4.214 4.320 -0.017 0.000 0.205 1304 K C 2.329 178.957 176.600 0.046 0.000 1.050 1304 K CA 1.246 57.571 56.287 0.063 0.000 0.938 1304 K CB -0.132 32.424 32.500 0.093 0.000 0.718 1304 K HN 0.270 nan 8.250 nan 0.000 0.442 1305 I N 0.778 121.358 120.570 0.016 0.000 2.142 1305 I HA -0.277 3.883 4.170 -0.017 0.000 0.240 1305 I C 2.651 178.775 176.117 0.013 0.000 1.078 1305 I CA 1.059 62.357 61.300 -0.003 0.000 1.343 1305 I CB -0.207 37.778 38.000 -0.025 0.000 1.046 1305 I HN 0.061 nan 8.210 nan 0.000 0.405 1306 R N 1.706 122.219 120.500 0.021 0.000 2.083 1306 R HA -0.175 4.155 4.340 -0.017 0.000 0.237 1306 R C 1.911 178.231 176.300 0.033 0.000 1.137 1306 R CA 1.866 57.983 56.100 0.029 0.000 0.951 1306 R CB -0.643 29.669 30.300 0.019 0.000 0.851 1306 R HN 0.298 nan 8.270 nan 0.000 0.434 1307 N N 0.079 118.798 118.700 0.032 0.000 2.364 1307 N HA -0.099 4.631 4.740 -0.017 0.000 0.183 1307 N C 1.190 176.712 175.510 0.020 0.000 1.022 1307 N CA 1.418 54.489 53.050 0.036 0.000 0.883 1307 N CB -0.256 38.258 38.487 0.044 0.000 0.965 1307 N HN 0.408 nan 8.380 nan 0.000 0.438 1308 A N -0.450 122.371 122.820 0.001 0.000 2.072 1308 A HA 0.044 4.354 4.320 -0.017 0.000 0.216 1308 A C 1.031 178.528 177.584 -0.145 0.000 1.156 1308 A CA 0.141 52.129 52.037 -0.082 0.000 0.701 1308 A CB -0.115 18.845 19.000 -0.066 0.000 0.816 1308 A HN 0.323 nan 8.150 nan 0.000 0.458 1309 C N 1.933 121.206 119.300 -0.045 0.000 2.615 1309 C HA 0.406 4.856 4.460 -0.017 0.000 0.503 1309 C C 0.614 175.638 174.990 0.056 0.000 1.039 1309 C CA -1.091 57.929 59.018 0.004 0.000 1.226 1309 C CB -2.143 25.645 27.740 0.081 0.000 1.447 1309 C HN 0.297 nan 8.230 nan 0.000 0.572 1310 V N 4.441 124.358 119.914 0.005 0.000 2.540 1310 V HA 0.242 4.352 4.120 -0.017 0.000 0.297 1310 V C 0.299 176.439 176.094 0.078 0.000 1.024 1310 V CA 1.008 63.328 62.300 0.033 0.000 1.105 1310 V CB 0.238 32.059 31.823 -0.003 0.000 0.938 1310 V HN 0.904 nan 8.190 nan 0.000 0.482 1311 D N 3.058 123.510 120.400 0.087 0.000 2.851 1311 D HA 0.190 4.820 4.640 -0.017 0.000 0.339 1311 D C 0.559 176.845 176.300 -0.023 0.000 1.347 1311 D CA -0.481 53.563 54.000 0.073 0.000 0.888 1311 D CB 0.749 41.658 40.800 0.182 0.000 1.431 1311 D HN 0.341 nan 8.370 nan 0.000 0.509 1312 K N -0.470 119.823 120.400 -0.180 0.000 2.362 1312 K HA 0.013 4.322 4.320 -0.017 0.000 0.200 1312 K C 1.093 177.412 176.600 -0.468 0.000 1.046 1312 K CA 1.024 57.094 56.287 -0.361 0.000 0.952 1312 K CB -0.468 31.738 32.500 -0.490 0.000 0.753 1312 K HN 0.281 nan 8.250 nan 0.000 0.466 1313 F N 2.301 122.246 119.950 -0.009 0.000 2.220 1313 F HA -0.061 4.454 4.527 -0.020 0.000 0.290 1313 F C 2.939 178.730 175.800 -0.014 0.000 1.080 1313 F CA 1.196 59.178 58.000 -0.030 0.000 1.318 1313 F CB -0.749 38.212 39.000 -0.065 0.000 1.063 1313 F HN 0.122 nan 8.300 nan 0.000 0.498 1314 T N -2.333 112.321 114.554 0.167 0.000 2.788 1314 T HA -0.186 4.154 4.350 -0.017 0.000 0.268 1314 T C 1.845 176.577 174.700 0.053 0.000 1.044 1314 T CA 1.772 63.930 62.100 0.097 0.000 1.139 1314 T CB -1.167 67.749 68.868 0.081 0.000 0.867 1314 T HN 0.366 nan 8.240 nan 0.000 0.454 1315 T N -0.164 114.406 114.554 0.027 0.000 3.067 1315 T HA 0.299 4.639 4.350 -0.017 0.000 0.261 1315 T C 1.398 176.094 174.700 -0.006 0.000 1.110 1315 T CA 0.427 62.529 62.100 0.005 0.000 1.113 1315 T CB -0.698 68.163 68.868 -0.012 0.000 0.917 1315 T HN 0.520 nan 8.240 nan 0.000 0.499 1316 L N -0.925 120.291 121.223 -0.011 0.000 4.696 1316 L HA -0.249 4.081 4.340 -0.017 0.000 0.425 1316 L C 1.793 178.632 176.870 -0.052 0.000 1.115 1316 L CA 0.139 54.968 54.840 -0.018 0.000 0.996 1316 L CB -2.785 39.276 42.059 0.002 0.000 2.077 1316 L HN 0.407 nan 8.230 nan 0.000 0.792 1317 C N -0.617 118.635 119.300 -0.079 0.000 2.410 1317 C HA -0.136 4.314 4.460 -0.017 0.000 0.281 1317 C C 2.584 177.501 174.990 -0.121 0.000 1.318 1317 C CA 1.221 60.186 59.018 -0.089 0.000 1.776 1317 C CB -0.512 27.173 27.740 -0.092 0.000 1.942 1317 C HN 0.646 nan 8.230 nan 0.000 0.508 1318 V N 1.741 121.536 119.914 -0.198 0.000 2.720 1318 V HA -0.164 3.946 4.120 -0.017 0.000 0.256 1318 V C 2.533 178.574 176.094 -0.088 0.000 1.082 1318 V CA 2.561 64.735 62.300 -0.210 0.000 1.101 1318 V CB -0.559 31.030 31.823 -0.390 0.000 0.693 1318 V HN 0.820 nan 8.190 nan 0.000 0.479 1319 T N -3.200 111.321 114.554 -0.055 0.000 3.113 1319 T HA 0.274 4.614 4.350 -0.017 0.000 0.256 1319 T C 1.532 176.218 174.700 -0.023 0.000 1.131 1319 T CA 1.075 63.161 62.100 -0.023 0.000 1.074 1319 T CB 0.420 69.284 68.868 -0.008 0.000 0.944 1319 T HN 1.221 nan 8.240 nan 0.000 0.516 1320 G N 0.807 109.587 108.800 -0.033 0.000 2.213 1320 G HA2 0.006 3.956 3.960 -0.017 0.000 0.226 1320 G HA3 0.006 3.956 3.960 -0.017 0.000 0.226 1320 G C 0.332 175.219 174.900 -0.022 0.000 0.992 1320 G CA -0.167 44.918 45.100 -0.025 0.000 0.632 1320 G HN 1.132 nan 8.290 nan 0.000 0.511 1321 A N 1.472 124.279 122.820 -0.022 0.000 2.386 1321 A HA 0.676 4.986 4.320 -0.017 0.000 0.248 1321 A C -1.164 176.408 177.584 -0.020 0.000 1.082 1321 A CA -0.364 51.663 52.037 -0.017 0.000 0.789 1321 A CB 0.118 19.110 19.000 -0.013 0.000 1.025 1321 A HN 0.270 nan 8.150 nan 0.000 0.490 1322 P HA 0.470 nan 4.420 nan 0.000 0.272 1322 P C 0.106 177.399 177.300 -0.012 0.000 1.223 1322 P CA 0.229 63.322 63.100 -0.012 0.000 0.784 1322 P CB 1.089 32.785 31.700 -0.007 0.000 0.923 1323 G N 0.716 109.509 108.800 -0.012 0.000 2.646 1323 G HA2 0.198 4.148 3.960 -0.017 0.000 0.291 1323 G HA3 0.198 4.148 3.960 -0.017 0.000 0.291 1323 G C -0.835 174.062 174.900 -0.005 0.000 1.445 1323 G CA -0.654 44.440 45.100 -0.010 0.000 0.814 1323 G HN 0.410 nan 8.290 nan 0.000 0.495 1324 N N 0.515 119.216 118.700 0.001 0.000 3.091 1324 N HA 0.217 4.947 4.740 -0.017 0.000 0.301 1324 N C 0.124 175.638 175.510 0.006 0.000 1.325 1324 N CA 0.194 53.248 53.050 0.006 0.000 1.143 1324 N CB -0.111 38.384 38.487 0.012 0.000 1.450 1324 N HN 0.735 nan 8.380 nan 0.000 0.542 1325 C N 0.000 119.301 119.300 0.001 0.000 2.653 1325 C HA 0.000 4.450 4.460 -0.017 0.000 0.325 1325 C CA 0.000 59.022 59.018 0.006 0.000 1.963 1325 C CB 0.000 27.743 27.740 0.005 0.000 2.134 1325 C HN 0.000 nan 8.230 nan 0.000 0.568