REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3eub_1_C DATA FIRST_RESID 572 DATA SEQUENCE TVGRPLPHLA AAMQASGEAV YCDDIPRYEN ELFLRLVTST RAHAKIKSID DATA SEQUENCE VSEAQKVPGF VCFLSADDIP GSNETGLFND ETVFAKDTVT CVGHIIGAVV DATA SEQUENCE ADTPEHAERA AHVVKVTYED LPAIITIEDA IKNNSFYGSE LKIEKGDLKK DATA SEQUENCE GFSEADNVVS GELYIGGQDH FYLETHCTIA IPKGEEGEME LFVSTQNAMK DATA SEQUENCE TQSFVAKMLG VPVNRILVRV KRMGGGFGGK ETRSTLVSVA VALAAYKTGH DATA SEQUENCE PVRCMLDRNE DMLITGGRHP FLARYKVGFM KTGTIVALEV DHYSNAGNSR DATA SEQUENCE DLSHSIMERA LFHMDNCYKI PNIRGTGRLC KTNLSSNTAF RGFGGPQALF DATA SEQUENCE IAENWMSEVA VTCGLPAEEV RWKNMYKEGD LTHFNQRLEG FSVPRCWDEC DATA SEQUENCE LKSSQYYARK SEVDKFNKEN CWKKRGLCII PTKFGISFTV PFLNQAGALI DATA SEQUENCE HVYTDGSVLV SHGGTEMGQG LHTKMVQVAS KALKIPISKI YISETSTNTV DATA SEQUENCE PNSSPTAASV STDIYGQAVY EACQTILKRL EPFKKKNPDG SWEDWVMAAY DATA SEQUENCE QDRVSLSTTG FYRTPNLGYS FETNSGNAFH YFTYGVACSE VEIDCLTGDH DATA SEQUENCE KNLRTDIVMD VGSSLNPAID IGQVEGAFVQ GLGLFTLEEL HYSPEGSLHT DATA SEQUENCE RGPSTYKIPA FGSIPTEFRV SLLRDCPNKK AIYASKAVGE PPLFLGASVF DATA SEQUENCE FAIKDAIRAA RAQHTNNNTK ELFRLDSPAT PEKIRNACVD KFTTLCVTGA DATA SEQUENCE PGN 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 572 T HA 0.000 nan 4.350 nan 0.000 0.228 572 T C 0.000 174.667 174.700 -0.055 0.000 1.109 572 T CA 0.000 62.071 62.100 -0.048 0.000 1.349 572 T CB 0.000 68.849 68.868 -0.031 0.000 0.612 573 V N 2.528 122.389 119.914 -0.088 0.000 2.599 573 V HA 0.476 4.083 4.120 -0.856 0.000 0.300 573 V C 1.902 177.949 176.094 -0.078 0.000 1.034 573 V CA 1.750 63.993 62.300 -0.094 0.000 1.115 573 V CB 0.175 31.875 31.823 -0.205 0.000 0.934 573 V HN 1.211 nan 8.190 nan 0.000 0.485 574 G N 4.572 113.346 108.800 -0.044 0.000 2.199 574 G HA2 -0.237 3.210 3.960 -0.856 0.000 0.254 574 G HA3 -0.237 3.210 3.960 -0.856 0.000 0.254 574 G C 0.333 175.218 174.900 -0.026 0.000 0.982 574 G CA 0.128 45.208 45.100 -0.033 0.000 0.632 574 G HN 0.617 nan 8.290 nan 0.000 0.529 575 R N 1.020 121.504 120.500 -0.026 0.000 2.486 575 R HA 0.458 4.285 4.340 -0.856 0.000 0.286 575 R C -2.282 174.012 176.300 -0.010 0.000 0.999 575 R CA -1.668 54.420 56.100 -0.019 0.000 0.993 575 R CB 1.276 31.564 30.300 -0.021 0.000 1.084 575 R HN 0.033 nan 8.270 nan 0.000 0.487 576 P HA 0.017 nan 4.420 nan 0.000 0.230 576 P C -0.709 176.595 177.300 0.007 0.000 1.791 576 P CA -0.211 62.890 63.100 0.000 0.000 1.020 576 P CB -0.093 31.606 31.700 -0.001 0.000 1.977 577 L N 3.739 124.966 121.223 0.007 0.000 2.410 577 L HA 0.365 4.191 4.340 -0.856 0.000 0.273 577 L C -2.286 174.601 176.870 0.029 0.000 1.144 577 L CA -1.955 52.892 54.840 0.013 0.000 0.863 577 L CB -0.259 41.803 42.059 0.005 0.000 1.140 577 L HN 0.022 nan 8.230 nan 0.000 0.463 578 P HA -0.009 nan 4.420 nan 0.000 0.270 578 P C -0.838 176.526 177.300 0.107 0.000 1.223 578 P CA -0.097 63.048 63.100 0.074 0.000 0.785 578 P CB 0.213 31.956 31.700 0.071 0.000 0.923 579 H N 2.443 121.529 119.070 0.028 0.000 3.125 579 H HA -0.040 4.003 4.556 -0.855 0.000 0.310 579 H C 1.189 176.537 175.328 0.034 0.000 0.980 579 H CA 0.608 56.675 56.048 0.031 0.000 1.422 579 H CB 0.259 30.042 29.762 0.034 0.000 1.432 579 H HN 0.362 nan 8.280 nan 0.000 0.577 580 L N 4.110 125.405 121.223 0.119 0.000 2.189 580 L HA -0.224 3.602 4.340 -0.856 0.000 0.214 580 L C 2.211 179.220 176.870 0.231 0.000 1.097 580 L CA 1.538 56.462 54.840 0.140 0.000 0.764 580 L CB -0.334 41.744 42.059 0.032 0.000 0.900 580 L HN 0.651 nan 8.230 nan 0.000 0.436 581 A N -1.097 121.984 122.820 0.435 0.000 2.303 581 A HA 0.353 4.160 4.320 -0.856 0.000 0.217 581 A C 2.372 180.000 177.584 0.072 0.000 1.205 581 A CA 0.669 52.826 52.037 0.201 0.000 0.875 581 A CB -0.127 18.978 19.000 0.175 0.000 0.910 581 A HN 0.279 nan 8.150 nan 0.000 0.501 582 A N 0.691 123.556 122.820 0.076 0.000 1.884 582 A HA -0.046 3.761 4.320 -0.856 0.000 0.219 582 A C 2.455 180.051 177.584 0.022 0.000 1.197 582 A CA 2.415 54.448 52.037 -0.005 0.000 0.637 582 A CB -1.050 17.977 19.000 0.046 0.000 0.827 582 A HN 1.148 nan 8.150 nan 0.000 0.450 583 A N -1.086 121.761 122.820 0.046 0.000 1.933 583 A HA -0.079 3.728 4.320 -0.856 0.000 0.218 583 A C 2.253 179.859 177.584 0.037 0.000 1.175 583 A CA 1.801 53.862 52.037 0.041 0.000 0.628 583 A CB -0.511 18.515 19.000 0.043 0.000 0.814 583 A HN 0.562 nan 8.150 nan 0.000 0.444 584 M N -0.989 118.635 119.600 0.039 0.000 2.229 584 M HA -0.186 3.780 4.480 -0.856 0.000 0.264 584 M C 2.304 178.625 176.300 0.035 0.000 1.063 584 M CA 1.397 56.716 55.300 0.032 0.000 1.114 584 M CB -0.336 32.282 32.600 0.030 0.000 1.387 584 M HN 0.481 nan 8.290 nan 0.000 0.420 585 Q N -0.073 119.745 119.800 0.030 0.000 2.167 585 Q HA -0.059 3.768 4.340 -0.856 0.000 0.202 585 Q C 2.182 178.218 176.000 0.060 0.000 0.970 585 Q CA 1.402 57.239 55.803 0.057 0.000 0.855 585 Q CB -0.162 28.589 28.738 0.022 0.000 0.911 585 Q HN 0.573 nan 8.270 nan 0.000 0.438 586 A N 0.785 123.630 122.820 0.043 0.000 2.016 586 A HA -0.103 3.704 4.320 -0.856 0.000 0.217 586 A C 2.147 179.757 177.584 0.043 0.000 1.162 586 A CA 1.396 53.459 52.037 0.043 0.000 0.662 586 A CB -0.187 18.835 19.000 0.037 0.000 0.812 586 A HN 0.386 nan 8.150 nan 0.000 0.450 587 S N -2.238 113.487 115.700 0.041 0.000 2.503 587 S HA 0.381 4.338 4.470 -0.856 0.000 0.217 587 S C 1.392 176.018 174.600 0.042 0.000 0.999 587 S CA 1.043 59.265 58.200 0.037 0.000 0.914 587 S CB -0.142 63.076 63.200 0.030 0.000 0.782 587 S HN 1.860 nan 8.310 nan 0.000 0.520 588 G N 1.207 110.041 108.800 0.058 0.000 2.137 588 G HA2 -0.241 3.205 3.960 -0.856 0.000 0.237 588 G HA3 -0.241 3.205 3.960 -0.856 0.000 0.237 588 G C 0.370 175.303 174.900 0.056 0.000 1.002 588 G CA 0.438 45.580 45.100 0.070 0.000 0.702 588 G HN 0.580 nan 8.290 nan 0.000 0.515 589 E N -0.117 120.108 120.200 0.040 0.000 2.216 589 E HA 0.390 4.226 4.350 -0.856 0.000 0.192 589 E C 1.823 178.426 176.600 0.004 0.000 0.973 589 E CA 0.292 56.704 56.400 0.021 0.000 0.851 589 E CB 0.152 29.862 29.700 0.015 0.000 0.804 589 E HN 0.844 nan 8.360 nan 0.000 0.477 590 A N 2.011 124.829 122.820 -0.004 0.000 2.561 590 A HA 0.058 3.864 4.320 -0.856 0.000 0.251 590 A C 0.193 177.687 177.584 -0.150 0.000 1.062 590 A CA 0.197 52.180 52.037 -0.090 0.000 0.761 590 A CB 0.065 18.999 19.000 -0.111 0.000 0.986 590 A HN 0.021 nan 8.150 nan 0.000 0.510 591 V N 5.255 125.049 119.914 -0.201 0.000 2.368 591 V HA 0.245 3.851 4.120 -0.856 0.000 0.266 591 V C -0.310 175.603 176.094 -0.302 0.000 1.045 591 V CA -0.049 62.156 62.300 -0.158 0.000 0.899 591 V CB -0.323 31.444 31.823 -0.093 0.000 1.006 591 V HN 0.746 nan 8.190 nan 0.000 0.470 592 Y N 2.191 122.486 120.300 -0.009 0.000 2.392 592 Y HA 0.256 4.298 4.550 -0.847 0.000 0.323 592 Y C 1.727 177.617 175.900 -0.016 0.000 1.291 592 Y CA -0.125 57.969 58.100 -0.009 0.000 1.345 592 Y CB 0.331 38.785 38.460 -0.010 0.000 1.320 592 Y HN 0.630 nan 8.280 nan 0.000 0.518 593 C N 0.726 120.126 119.300 0.166 0.000 2.349 593 C HA -0.296 3.651 4.460 -0.856 0.000 0.274 593 C C 2.486 177.509 174.990 0.055 0.000 1.178 593 C CA 2.514 61.587 59.018 0.091 0.000 1.769 593 C CB -0.906 26.893 27.740 0.099 0.000 2.047 593 C HN 1.075 nan 8.230 nan 0.000 0.448 594 D N -0.474 119.973 120.400 0.079 0.000 2.371 594 D HA -0.048 4.078 4.640 -0.856 0.000 0.221 594 D C 1.419 177.749 176.300 0.050 0.000 0.986 594 D CA 0.856 54.894 54.000 0.064 0.000 0.899 594 D CB -0.331 40.513 40.800 0.072 0.000 0.902 594 D HN 0.565 nan 8.370 nan 0.000 0.530 595 D N -0.265 120.170 120.400 0.058 0.000 2.323 595 D HA 0.019 4.145 4.640 -0.856 0.000 0.209 595 D C 0.716 176.999 176.300 -0.028 0.000 0.973 595 D CA 0.034 54.056 54.000 0.037 0.000 0.874 595 D CB 0.169 41.018 40.800 0.081 0.000 0.930 595 D HN 0.362 nan 8.370 nan 0.000 0.521 596 I N 2.901 123.424 120.570 -0.078 0.000 2.775 596 I HA -0.019 3.637 4.170 -0.856 0.000 0.290 596 I C -1.832 174.190 176.117 -0.158 0.000 1.203 596 I CA -1.318 59.877 61.300 -0.175 0.000 1.433 596 I CB 0.123 37.929 38.000 -0.323 0.000 1.354 596 I HN -0.256 nan 8.210 nan 0.000 0.579 597 P HA 0.145 nan 4.420 nan 0.000 0.269 597 P C -0.814 176.357 177.300 -0.214 0.000 1.215 597 P CA -0.233 62.770 63.100 -0.162 0.000 0.780 597 P CB 0.479 32.072 31.700 -0.179 0.000 0.898 598 R N 1.090 121.512 120.500 -0.129 0.000 2.459 598 R HA 0.345 4.172 4.340 -0.856 0.000 0.281 598 R C -0.017 176.192 176.300 -0.151 0.000 1.050 598 R CA -0.251 55.788 56.100 -0.101 0.000 1.055 598 R CB 0.040 30.363 30.300 0.037 0.000 1.045 598 R HN 0.439 nan 8.270 nan 0.000 0.495 599 Y N 1.059 121.344 120.300 -0.025 0.000 2.330 599 Y HA -0.089 3.947 4.550 -0.856 0.000 0.341 599 Y C 1.816 177.725 175.900 0.016 0.000 1.278 599 Y CA 0.204 58.298 58.100 -0.009 0.000 1.453 599 Y CB 0.761 39.213 38.460 -0.014 0.000 1.342 599 Y HN 0.699 nan 8.280 nan 0.000 0.590 600 E N 0.031 120.362 120.200 0.218 0.000 2.118 600 E HA -0.257 3.580 4.350 -0.856 0.000 0.195 600 E C 0.641 177.328 176.600 0.144 0.000 0.992 600 E CA 1.657 58.140 56.400 0.139 0.000 0.804 600 E CB -0.314 29.449 29.700 0.105 0.000 0.741 600 E HN 0.682 nan 8.360 nan 0.000 0.458 601 N N 1.060 119.851 118.700 0.152 0.000 2.230 601 N HA 0.000 4.227 4.740 -0.856 0.000 0.202 601 N C -0.263 175.379 175.510 0.220 0.000 1.119 601 N CA -0.086 53.081 53.050 0.194 0.000 0.851 601 N CB 0.136 38.698 38.487 0.125 0.000 0.990 601 N HN 0.227 nan 8.380 nan 0.000 0.497 602 E N 0.909 121.200 120.200 0.151 0.000 2.415 602 E HA 0.153 3.989 4.350 -0.856 0.000 0.263 602 E C -0.548 175.997 176.600 -0.091 0.000 0.995 602 E CA -0.084 56.333 56.400 0.030 0.000 0.915 602 E CB 0.534 30.217 29.700 -0.028 0.000 0.951 602 E HN 0.242 nan 8.360 nan 0.000 0.449 603 L N 3.620 124.741 121.223 -0.170 0.000 2.331 603 L HA 0.552 4.379 4.340 -0.856 0.000 0.268 603 L C -0.692 175.948 176.870 -0.383 0.000 1.015 603 L CA -1.037 53.723 54.840 -0.134 0.000 0.807 603 L CB 0.898 42.924 42.059 -0.055 0.000 1.293 603 L HN 0.518 nan 8.230 nan 0.000 0.451 604 F N 0.959 120.930 119.950 0.035 0.000 2.540 604 F HA 0.595 4.608 4.527 -0.858 0.000 0.317 604 F C -0.304 175.519 175.800 0.039 0.000 1.104 604 F CA -0.521 57.507 58.000 0.046 0.000 0.913 604 F CB 1.873 40.904 39.000 0.052 0.000 1.170 604 F HN 0.151 nan 8.300 nan 0.000 0.450 605 L N 3.158 124.505 121.223 0.207 0.000 2.346 605 L HA 0.806 4.632 4.340 -0.856 0.000 0.274 605 L C -1.036 175.932 176.870 0.164 0.000 1.007 605 L CA -0.790 54.138 54.840 0.145 0.000 0.818 605 L CB 1.635 43.758 42.059 0.106 0.000 1.284 605 L HN 0.719 nan 8.230 nan 0.000 0.424 606 R N 4.168 124.759 120.500 0.151 0.000 2.502 606 R HA 0.540 4.367 4.340 -0.856 0.000 0.300 606 R C -1.577 174.818 176.300 0.158 0.000 0.984 606 R CA -0.434 55.759 56.100 0.155 0.000 0.882 606 R CB 1.248 31.645 30.300 0.161 0.000 1.180 606 R HN 0.712 nan 8.270 nan 0.000 0.444 607 L N 3.982 125.301 121.223 0.159 0.000 2.453 607 L HA 0.237 4.064 4.340 -0.856 0.000 0.272 607 L C -0.205 176.776 176.870 0.185 0.000 1.182 607 L CA -0.329 54.617 54.840 0.176 0.000 0.858 607 L CB 0.923 43.086 42.059 0.173 0.000 1.120 607 L HN 0.345 nan 8.230 nan 0.000 0.474 608 V N 2.662 122.696 119.914 0.200 0.000 2.427 608 V HA 0.474 4.080 4.120 -0.856 0.000 0.286 608 V C 0.214 176.433 176.094 0.207 0.000 1.034 608 V CA -0.254 62.177 62.300 0.218 0.000 0.893 608 V CB 1.695 33.699 31.823 0.301 0.000 0.982 608 V HN 0.801 nan 8.190 nan 0.000 0.452 609 T N 2.543 117.216 114.554 0.198 0.000 2.903 609 T HA 0.372 4.208 4.350 -0.856 0.000 0.299 609 T C -0.334 174.495 174.700 0.215 0.000 1.093 609 T CA -0.271 61.948 62.100 0.199 0.000 1.002 609 T CB 1.893 70.868 68.868 0.178 0.000 1.127 609 T HN 0.773 nan 8.240 nan 0.000 0.488 610 S N 0.584 116.420 115.700 0.227 0.000 2.585 610 S HA 0.311 4.267 4.470 -0.856 0.000 0.273 610 S C 1.109 175.797 174.600 0.146 0.000 1.339 610 S CA 0.179 58.529 58.200 0.250 0.000 1.028 610 S CB 0.412 63.754 63.200 0.237 0.000 0.906 610 S HN 0.874 nan 8.310 nan 0.000 0.528 611 T N 1.786 116.367 114.554 0.046 0.000 3.228 611 T HA 0.450 4.287 4.350 -0.856 0.000 0.278 611 T C -0.051 174.506 174.700 -0.237 0.000 1.014 611 T CA -0.659 61.409 62.100 -0.052 0.000 0.904 611 T CB -0.064 68.823 68.868 0.033 0.000 1.110 611 T HN 0.413 nan 8.240 nan 0.000 0.541 612 R N 0.151 120.462 120.500 -0.314 0.000 2.621 612 R HA 0.765 4.591 4.340 -0.856 0.000 0.284 612 R C 0.857 177.098 176.300 -0.098 0.000 0.998 612 R CA -0.303 55.611 56.100 -0.309 0.000 0.895 612 R CB 1.502 31.438 30.300 -0.607 0.000 1.195 612 R HN 0.150 nan 8.270 nan 0.000 0.450 613 A N 1.386 124.178 122.820 -0.047 0.000 1.873 613 A HA -0.117 3.689 4.320 -0.856 0.000 0.215 613 A C 0.277 177.911 177.584 0.083 0.000 1.186 613 A CA 1.577 53.616 52.037 0.003 0.000 0.616 613 A CB -0.150 18.843 19.000 -0.012 0.000 0.823 613 A HN 0.582 nan 8.150 nan 0.000 0.442 614 H N -1.665 117.388 119.070 -0.028 0.000 3.096 614 H HA 0.687 4.730 4.556 -0.855 0.000 0.335 614 H C -0.783 174.554 175.328 0.015 0.000 0.990 614 H CA -0.545 55.508 56.048 0.007 0.000 1.393 614 H CB 0.917 30.677 29.762 -0.003 0.000 1.742 614 H HN 0.490 nan 8.280 nan 0.000 0.501 615 A N 3.659 126.596 122.820 0.195 0.000 2.581 615 A HA 0.596 4.402 4.320 -0.856 0.000 0.290 615 A C -1.405 176.255 177.584 0.127 0.000 1.119 615 A CA -0.901 51.188 52.037 0.086 0.000 0.670 615 A CB 1.570 20.649 19.000 0.133 0.000 1.280 615 A HN 0.460 nan 8.150 nan 0.000 0.425 616 K N 0.763 121.223 120.400 0.100 0.000 2.185 616 K HA 0.657 4.464 4.320 -0.856 0.000 0.269 616 K C -1.225 175.444 176.600 0.116 0.000 0.987 616 K CA -0.229 56.111 56.287 0.088 0.000 0.865 616 K CB 0.419 32.940 32.500 0.034 0.000 1.090 616 K HN 0.503 nan 8.250 nan 0.000 0.450 617 I N 5.456 126.074 120.570 0.080 0.000 2.436 617 I HA 0.076 3.732 4.170 -0.856 0.000 0.289 617 I C 1.286 177.379 176.117 -0.040 0.000 1.083 617 I CA -0.081 61.212 61.300 -0.011 0.000 1.372 617 I CB 0.997 38.981 38.000 -0.027 0.000 1.408 617 I HN 0.782 nan 8.210 nan 0.000 0.516 618 K N 4.250 124.602 120.400 -0.081 0.000 2.099 618 K HA 0.060 3.867 4.320 -0.856 0.000 0.203 618 K C 0.457 177.010 176.600 -0.077 0.000 1.047 618 K CA 0.783 57.035 56.287 -0.059 0.000 0.963 618 K CB 0.409 32.881 32.500 -0.047 0.000 0.759 618 K HN 0.799 nan 8.250 nan 0.000 0.451 619 S N -0.802 114.823 115.700 -0.124 0.000 2.625 619 S HA 0.520 4.476 4.470 -0.856 0.000 0.271 619 S C -0.856 173.642 174.600 -0.170 0.000 1.161 619 S CA -1.090 57.038 58.200 -0.119 0.000 0.820 619 S CB 1.503 64.643 63.200 -0.099 0.000 1.137 619 S HN 0.094 nan 8.310 nan 0.000 0.470 620 I N 1.251 121.724 120.570 -0.161 0.000 2.466 620 I HA 0.490 4.147 4.170 -0.856 0.000 0.289 620 I C -1.520 174.449 176.117 -0.247 0.000 1.026 620 I CA -0.314 60.850 61.300 -0.227 0.000 1.078 620 I CB 2.019 39.883 38.000 -0.226 0.000 1.249 620 I HN 0.748 nan 8.210 nan 0.000 0.429 621 D N 4.729 124.968 120.400 -0.269 0.000 2.408 621 D HA 0.393 4.520 4.640 -0.856 0.000 0.243 621 D C 0.383 176.503 176.300 -0.301 0.000 1.075 621 D CA -0.560 53.295 54.000 -0.242 0.000 0.832 621 D CB 2.101 42.796 40.800 -0.175 0.000 1.162 621 D HN 0.316 nan 8.370 nan 0.000 0.515 622 V N 1.068 120.801 119.914 -0.302 0.000 3.660 622 V HA 0.136 3.743 4.120 -0.856 0.000 0.276 622 V C 1.787 177.703 176.094 -0.296 0.000 1.317 622 V CA 0.491 62.589 62.300 -0.337 0.000 1.097 622 V CB -0.085 31.546 31.823 -0.321 0.000 0.863 622 V HN 0.459 nan 8.190 nan 0.000 0.438 623 S N 1.789 117.356 115.700 -0.221 0.000 2.451 623 S HA -0.325 3.631 4.470 -0.856 0.000 0.272 623 S C 1.872 176.348 174.600 -0.207 0.000 1.136 623 S CA 2.739 60.828 58.200 -0.185 0.000 1.209 623 S CB -0.377 62.740 63.200 -0.138 0.000 1.130 623 S HN 0.823 nan 8.310 nan 0.000 0.440 624 E N 0.403 120.484 120.200 -0.198 0.000 2.299 624 E HA 0.166 4.003 4.350 -0.856 0.000 0.193 624 E C 2.252 178.718 176.600 -0.223 0.000 0.998 624 E CA 0.742 57.039 56.400 -0.172 0.000 0.851 624 E CB -0.330 29.297 29.700 -0.123 0.000 0.795 624 E HN 0.532 nan 8.360 nan 0.000 0.492 625 A N 1.425 124.055 122.820 -0.316 0.000 1.930 625 A HA -0.192 3.614 4.320 -0.856 0.000 0.217 625 A C 2.101 179.158 177.584 -0.878 0.000 1.175 625 A CA 1.086 52.864 52.037 -0.430 0.000 0.627 625 A CB -0.415 18.366 19.000 -0.365 0.000 0.815 625 A HN 0.154 nan 8.150 nan 0.000 0.443 626 Q N -0.387 118.835 119.800 -0.963 0.000 2.234 626 Q HA -0.166 3.661 4.340 -0.856 0.000 0.206 626 Q C 1.785 177.578 176.000 -0.345 0.000 0.980 626 Q CA 1.606 56.914 55.803 -0.825 0.000 0.869 626 Q CB -0.125 28.364 28.738 -0.416 0.000 0.912 626 Q HN 0.640 nan 8.270 nan 0.000 0.436 627 K N -0.122 120.126 120.400 -0.253 0.000 2.262 627 K HA 0.064 3.871 4.320 -0.856 0.000 0.200 627 K C 0.249 176.797 176.600 -0.086 0.000 1.049 627 K CA 0.022 56.233 56.287 -0.127 0.000 0.979 627 K CB 0.446 32.883 32.500 -0.105 0.000 0.773 627 K HN -0.043 nan 8.250 nan 0.000 0.474 628 V N 4.813 124.672 119.914 -0.093 0.000 2.539 628 V HA -0.045 3.562 4.120 -0.856 0.000 0.300 628 V C -2.200 173.863 176.094 -0.051 0.000 1.019 628 V CA -0.924 61.356 62.300 -0.033 0.000 1.160 628 V CB -0.239 31.601 31.823 0.029 0.000 0.901 628 V HN 0.139 nan 8.190 nan 0.000 0.481 629 P HA 0.155 nan 4.420 nan 0.000 0.262 629 P C 0.994 178.016 177.300 -0.464 0.000 1.182 629 P CA 1.399 64.344 63.100 -0.258 0.000 0.761 629 P CB 0.434 31.955 31.700 -0.299 0.000 0.795 630 G N 2.475 111.147 108.800 -0.213 0.000 2.199 630 G HA2 -0.302 3.145 3.960 -0.856 0.000 0.254 630 G HA3 -0.302 3.145 3.960 -0.856 0.000 0.254 630 G C 0.127 175.044 174.900 0.028 0.000 0.982 630 G CA -0.332 44.696 45.100 -0.121 0.000 0.632 630 G HN 0.555 nan 8.290 nan 0.000 0.529 631 F N 1.031 120.940 119.950 -0.068 0.000 2.635 631 F HA 0.340 4.353 4.527 -0.857 0.000 0.379 631 F C 1.382 177.183 175.800 0.001 0.000 1.094 631 F CA 1.226 59.224 58.000 -0.003 0.000 1.300 631 F CB 0.897 39.895 39.000 -0.004 0.000 1.035 631 F HN -0.054 nan 8.300 nan 0.000 0.581 632 V N 4.278 123.792 119.914 -0.667 0.000 2.840 632 V HA 0.101 3.708 4.120 -0.856 0.000 0.234 632 V C 0.268 175.988 176.094 -0.624 0.000 1.159 632 V CA 1.056 63.078 62.300 -0.464 0.000 1.194 632 V CB 0.586 32.230 31.823 -0.299 0.000 0.971 632 V HN 1.028 nan 8.190 nan 0.000 0.494 633 C N -1.723 117.034 119.300 -0.906 0.000 3.307 633 C HA 0.696 4.642 4.460 -0.856 0.000 0.333 633 C C -1.147 173.652 174.990 -0.318 0.000 1.291 633 C CA -1.365 57.359 59.018 -0.491 0.000 1.273 633 C CB 0.699 28.328 27.740 -0.184 0.000 1.580 633 C HN 0.324 nan 8.230 nan 0.000 0.481 634 F N 2.092 122.057 119.950 0.025 0.000 2.421 634 F HA 0.828 4.841 4.527 -0.857 0.000 0.337 634 F C -0.661 175.112 175.800 -0.045 0.000 1.105 634 F CA -1.005 57.035 58.000 0.067 0.000 1.049 634 F CB 0.824 39.932 39.000 0.182 0.000 1.139 634 F HN 0.694 nan 8.300 nan 0.000 0.479 635 L N 5.662 126.315 121.223 -0.951 0.000 2.334 635 L HA 0.678 4.505 4.340 -0.856 0.000 0.276 635 L C -0.353 175.698 176.870 -1.365 0.000 1.014 635 L CA -0.554 53.794 54.840 -0.820 0.000 0.815 635 L CB 1.854 43.610 42.059 -0.504 0.000 1.268 635 L HN 0.810 nan 8.230 nan 0.000 0.428 636 S N 0.554 115.782 115.700 -0.786 0.000 2.794 636 S HA 0.613 4.570 4.470 -0.856 0.000 0.299 636 S C 0.667 175.153 174.600 -0.190 0.000 1.179 636 S CA -0.139 57.667 58.200 -0.655 0.000 0.838 636 S CB 1.333 64.428 63.200 -0.175 0.000 1.206 636 S HN 0.607 nan 8.310 nan 0.000 0.523 637 A N 1.008 123.854 122.820 0.042 0.000 1.927 637 A HA -0.172 3.635 4.320 -0.856 0.000 0.220 637 A C 1.582 179.229 177.584 0.104 0.000 1.185 637 A CA 2.251 54.393 52.037 0.174 0.000 0.639 637 A CB -1.393 17.685 19.000 0.129 0.000 0.820 637 A HN 0.826 nan 8.150 nan 0.000 0.451 638 D N 0.180 120.616 120.400 0.059 0.000 2.221 638 D HA -0.122 4.004 4.640 -0.856 0.000 0.204 638 D C 1.060 177.395 176.300 0.059 0.000 0.982 638 D CA 1.277 55.308 54.000 0.052 0.000 0.857 638 D CB -0.365 40.461 40.800 0.044 0.000 0.934 638 D HN 0.529 nan 8.370 nan 0.000 0.475 639 D N 0.346 120.782 120.400 0.060 0.000 2.277 639 D HA 0.001 4.128 4.640 -0.856 0.000 0.208 639 D C 0.963 177.338 176.300 0.125 0.000 0.962 639 D CA 0.060 54.110 54.000 0.084 0.000 0.865 639 D CB 0.707 41.539 40.800 0.053 0.000 0.939 639 D HN 0.268 nan 8.370 nan 0.000 0.510 640 I N 3.512 124.148 120.570 0.110 0.000 2.662 640 I HA -0.066 3.590 4.170 -0.856 0.000 0.285 640 I C -0.880 175.237 176.117 0.000 0.000 1.161 640 I CA -0.814 60.518 61.300 0.053 0.000 1.415 640 I CB 0.815 38.841 38.000 0.044 0.000 1.385 640 I HN -0.108 nan 8.210 nan 0.000 0.552 641 P HA 0.046 nan 4.420 nan 0.000 0.226 641 P C 0.946 178.182 177.300 -0.107 0.000 1.161 641 P CA 0.664 63.702 63.100 -0.104 0.000 0.804 641 P CB 0.512 32.044 31.700 -0.279 0.000 0.829 642 G N -0.208 108.512 108.800 -0.132 0.000 2.606 642 G HA2 0.220 3.667 3.960 -0.856 0.000 0.213 642 G HA3 0.220 3.667 3.960 -0.856 0.000 0.213 642 G C -0.222 174.637 174.900 -0.069 0.000 2.020 642 G CA 0.238 45.278 45.100 -0.100 0.000 0.814 642 G HN 0.356 nan 8.290 nan 0.000 0.685 643 S N -0.770 114.884 115.700 -0.076 0.000 2.542 643 S HA 0.423 4.379 4.470 -0.856 0.000 0.293 643 S C -0.290 174.265 174.600 -0.074 0.000 1.089 643 S CA -0.644 57.517 58.200 -0.065 0.000 0.961 643 S CB 1.786 64.944 63.200 -0.071 0.000 1.062 643 S HN 0.264 nan 8.310 nan 0.000 0.483 644 N N 2.282 120.949 118.700 -0.054 0.000 2.251 644 N HA 0.132 4.359 4.740 -0.856 0.000 0.217 644 N C -0.383 175.083 175.510 -0.073 0.000 1.124 644 N CA -0.063 52.953 53.050 -0.056 0.000 0.843 644 N CB 0.295 38.779 38.487 -0.005 0.000 1.024 644 N HN 0.745 nan 8.380 nan 0.000 0.501 645 E N 0.063 120.207 120.200 -0.093 0.000 2.113 645 E HA 0.291 4.128 4.350 -0.856 0.000 0.273 645 E C -1.005 175.477 176.600 -0.197 0.000 0.924 645 E CA -0.232 56.106 56.400 -0.104 0.000 0.764 645 E CB 0.987 30.645 29.700 -0.069 0.000 1.104 645 E HN 0.045 nan 8.360 nan 0.000 0.406 646 T N 2.213 116.618 114.554 -0.248 0.000 2.696 646 T HA 0.776 4.613 4.350 -0.856 0.000 0.291 646 T C -0.612 173.837 174.700 -0.418 0.000 1.095 646 T CA 0.460 62.267 62.100 -0.489 0.000 1.026 646 T CB 1.350 69.908 68.868 -0.517 0.000 1.390 646 T HN 0.910 nan 8.240 nan 0.000 0.513 647 G N 0.436 108.859 108.800 -0.628 0.000 2.612 647 G HA2 0.001 3.448 3.960 -0.856 0.000 0.686 647 G HA3 0.001 3.448 3.960 -0.856 0.000 0.686 647 G C 0.140 175.069 174.900 0.050 0.000 1.274 647 G CA -0.136 44.877 45.100 -0.145 0.000 0.849 647 G HN 0.929 nan 8.290 nan 0.000 0.595 648 L N -0.408 120.952 121.223 0.228 0.000 2.046 648 L HA 0.313 4.139 4.340 -0.856 0.000 0.208 648 L C 1.951 178.658 176.870 -0.272 0.000 1.077 648 L CA 2.214 57.095 54.840 0.068 0.000 0.747 648 L CB -0.369 41.717 42.059 0.045 0.000 0.896 648 L HN 0.525 nan 8.230 nan 0.000 0.432 649 F N -0.295 119.683 119.950 0.046 0.000 2.850 649 F HA 0.293 4.305 4.527 -0.858 0.000 0.306 649 F C 1.001 176.791 175.800 -0.016 0.000 1.162 649 F CA -0.557 57.449 58.000 0.010 0.000 1.327 649 F CB -0.581 38.408 39.000 -0.017 0.000 0.953 649 F HN 0.033 nan 8.300 nan 0.000 0.507 650 N N 1.303 120.033 118.700 0.050 0.000 2.681 650 N HA -0.211 4.015 4.740 -0.856 0.000 0.250 650 N C 0.057 175.576 175.510 0.014 0.000 1.133 650 N CA 1.365 54.408 53.050 -0.013 0.000 0.732 650 N CB -0.792 37.685 38.487 -0.016 0.000 1.107 650 N HN 0.547 nan 8.380 nan 0.000 0.559 651 D N -0.505 119.921 120.400 0.044 0.000 2.525 651 D HA 0.153 4.279 4.640 -0.856 0.000 0.229 651 D C 0.152 176.471 176.300 0.031 0.000 1.202 651 D CA 0.156 54.184 54.000 0.047 0.000 0.828 651 D CB 0.240 41.073 40.800 0.055 0.000 1.008 651 D HN 0.348 nan 8.370 nan 0.000 0.493 652 E N -0.408 119.793 120.200 0.001 0.000 2.392 652 E HA 0.438 4.275 4.350 -0.856 0.000 0.269 652 E C -0.659 175.944 176.600 0.006 0.000 0.924 652 E CA -0.938 55.469 56.400 0.012 0.000 0.784 652 E CB 1.904 31.594 29.700 -0.017 0.000 1.292 652 E HN 0.138 nan 8.360 nan 0.000 0.447 653 T N -1.915 112.682 114.554 0.072 0.000 2.902 653 T HA 0.272 4.108 4.350 -0.856 0.000 0.283 653 T C 1.041 175.724 174.700 -0.028 0.000 1.009 653 T CA -0.799 61.323 62.100 0.036 0.000 1.051 653 T CB 1.393 70.316 68.868 0.090 0.000 0.999 653 T HN 0.161 nan 8.240 nan 0.000 0.474 654 V N 0.793 120.624 119.914 -0.140 0.000 2.307 654 V HA 0.115 3.721 4.120 -0.856 0.000 0.245 654 V C 0.375 176.202 176.094 -0.445 0.000 1.045 654 V CA 1.186 63.287 62.300 -0.332 0.000 1.024 654 V CB -0.724 30.837 31.823 -0.437 0.000 0.651 654 V HN 0.842 nan 8.190 nan 0.000 0.449 655 F N -1.095 118.847 119.950 -0.014 0.000 2.520 655 F HA 0.718 4.731 4.527 -0.857 0.000 0.322 655 F C 0.334 176.102 175.800 -0.054 0.000 1.103 655 F CA -0.889 57.092 58.000 -0.033 0.000 0.926 655 F CB 1.276 40.249 39.000 -0.045 0.000 1.154 655 F HN -0.002 nan 8.300 nan 0.000 0.453 656 A N 3.203 126.065 122.820 0.071 0.000 2.407 656 A HA 0.302 4.108 4.320 -0.856 0.000 0.248 656 A C 0.633 178.224 177.584 0.012 0.000 1.082 656 A CA -0.093 51.884 52.037 -0.101 0.000 0.785 656 A CB 0.832 19.581 19.000 -0.418 0.000 1.020 656 A HN 0.981 nan 8.150 nan 0.000 0.489 657 K N -0.510 119.902 120.400 0.020 0.000 2.324 657 K HA 0.065 3.872 4.320 -0.856 0.000 0.222 657 K C 0.200 176.822 176.600 0.037 0.000 1.107 657 K CA 0.490 56.803 56.287 0.042 0.000 0.873 657 K CB 0.280 32.811 32.500 0.051 0.000 1.270 657 K HN 0.786 nan 8.250 nan 0.000 0.456 658 D N 0.113 120.541 120.400 0.048 0.000 2.525 658 D HA 0.013 4.140 4.640 -0.856 0.000 0.248 658 D C 0.291 176.633 176.300 0.070 0.000 1.000 658 D CA 0.724 54.753 54.000 0.049 0.000 0.923 658 D CB 0.943 41.774 40.800 0.050 0.000 1.101 658 D HN 0.304 nan 8.370 nan 0.000 0.493 659 T N -0.504 114.108 114.554 0.097 0.000 2.893 659 T HA 0.589 4.425 4.350 -0.856 0.000 0.291 659 T C -0.060 174.745 174.700 0.174 0.000 1.028 659 T CA -0.933 61.259 62.100 0.153 0.000 0.995 659 T CB 2.466 71.450 68.868 0.194 0.000 1.051 659 T HN -0.110 nan 8.240 nan 0.000 0.470 660 V N 0.348 120.407 119.914 0.243 0.000 2.532 660 V HA 0.767 4.373 4.120 -0.856 0.000 0.295 660 V C 0.773 177.109 176.094 0.403 0.000 1.041 660 V CA -0.318 62.174 62.300 0.320 0.000 0.926 660 V CB 1.043 33.038 31.823 0.287 0.000 0.992 660 V HN 1.169 nan 8.190 nan 0.000 0.457 661 T N -1.350 113.487 114.554 0.471 0.000 3.084 661 T HA 0.425 4.261 4.350 -0.856 0.000 0.270 661 T C 0.255 174.920 174.700 -0.058 0.000 1.008 661 T CA 0.364 62.489 62.100 0.042 0.000 0.900 661 T CB -0.687 68.130 68.868 -0.085 0.000 1.084 661 T HN 1.601 nan 8.240 nan 0.000 0.538 662 C N -1.871 117.459 119.300 0.049 0.000 3.231 662 C HA 0.652 4.598 4.460 -0.856 0.000 0.343 662 C C 1.205 176.236 174.990 0.067 0.000 1.349 662 C CA -0.627 58.392 59.018 0.002 0.000 1.209 662 C CB 0.705 28.406 27.740 -0.065 0.000 1.475 662 C HN 0.007 nan 8.230 nan 0.000 0.460 663 V N 1.815 121.752 119.914 0.037 0.000 2.261 663 V HA 0.059 3.665 4.120 -0.856 0.000 0.246 663 V C 2.538 178.694 176.094 0.103 0.000 1.047 663 V CA 2.870 65.202 62.300 0.054 0.000 1.015 663 V CB -0.991 30.854 31.823 0.036 0.000 0.642 663 V HN 1.257 nan 8.190 nan 0.000 0.446 664 G N -1.747 107.116 108.800 0.105 0.000 3.155 664 G HA2 -0.088 3.359 3.960 -0.856 0.000 0.213 664 G HA3 -0.088 3.359 3.960 -0.856 0.000 0.213 664 G C 0.437 175.456 174.900 0.198 0.000 1.196 664 G CA -0.256 44.925 45.100 0.135 0.000 0.846 664 G HN 0.644 nan 8.290 nan 0.000 0.516 665 H N 0.109 119.236 119.070 0.095 0.000 2.964 665 H HA 0.182 4.224 4.556 -0.856 0.000 0.328 665 H C 0.113 175.526 175.328 0.141 0.000 1.030 665 H CA -0.680 55.432 56.048 0.106 0.000 1.445 665 H CB 0.570 30.395 29.762 0.105 0.000 1.449 665 H HN 0.010 nan 8.280 nan 0.000 0.581 666 I N 6.818 127.605 120.570 0.362 0.000 2.416 666 I HA -0.087 3.570 4.170 -0.856 0.000 0.288 666 I C 0.813 177.042 176.117 0.187 0.000 1.051 666 I CA 0.343 61.794 61.300 0.252 0.000 1.375 666 I CB 0.961 39.107 38.000 0.244 0.000 1.407 666 I HN 0.704 nan 8.210 nan 0.000 0.516 667 I N 4.451 125.143 120.570 0.203 0.000 4.139 667 I HA 0.326 3.982 4.170 -0.856 0.000 0.320 667 I C 1.008 177.171 176.117 0.077 0.000 1.290 667 I CA 0.167 61.548 61.300 0.136 0.000 1.253 667 I CB 0.538 38.614 38.000 0.127 0.000 1.122 667 I HN 0.766 nan 8.210 nan 0.000 0.421 668 G N 0.626 109.440 108.800 0.023 0.000 2.323 668 G HA2 0.656 4.102 3.960 -0.856 0.000 0.291 668 G HA3 0.656 4.102 3.960 -0.856 0.000 0.291 668 G C -2.069 172.638 174.900 -0.321 0.000 1.278 668 G CA 0.092 44.759 45.100 -0.721 0.000 0.860 668 G HN 0.200 nan 8.290 nan 0.000 0.504 669 A N -1.326 121.123 122.820 -0.618 0.000 2.577 669 A HA 0.748 4.554 4.320 -0.856 0.000 0.297 669 A C -1.124 176.354 177.584 -0.177 0.000 1.060 669 A CA -0.340 51.597 52.037 -0.167 0.000 0.697 669 A CB 1.576 20.597 19.000 0.035 0.000 1.281 669 A HN 1.677 nan 8.150 nan 0.000 0.402 670 V N 1.578 121.552 119.914 0.101 0.000 2.567 670 V HA 0.558 4.164 4.120 -0.856 0.000 0.289 670 V C -0.122 175.995 176.094 0.039 0.000 1.049 670 V CA -0.356 62.041 62.300 0.160 0.000 0.969 670 V CB 1.579 33.597 31.823 0.325 0.000 0.995 670 V HN 0.714 nan 8.190 nan 0.000 0.471 671 V N 3.528 123.383 119.914 -0.098 0.000 2.495 671 V HA 0.946 4.553 4.120 -0.856 0.000 0.298 671 V C 0.165 176.173 176.094 -0.144 0.000 1.031 671 V CA -0.204 62.044 62.300 -0.086 0.000 0.871 671 V CB 1.342 33.087 31.823 -0.132 0.000 0.988 671 V HN 1.103 nan 8.190 nan 0.000 0.432 672 A N 2.691 125.524 122.820 0.023 0.000 2.567 672 A HA 0.692 4.499 4.320 -0.856 0.000 0.289 672 A C 0.332 178.028 177.584 0.186 0.000 1.177 672 A CA -0.033 52.041 52.037 0.062 0.000 0.694 672 A CB 1.408 20.500 19.000 0.154 0.000 1.292 672 A HN 0.768 nan 8.150 nan 0.000 0.425 673 D N -0.259 120.259 120.400 0.197 0.000 2.363 673 D HA 0.057 4.183 4.640 -0.856 0.000 0.220 673 D C 0.552 177.015 176.300 0.273 0.000 0.994 673 D CA 1.496 55.653 54.000 0.262 0.000 0.890 673 D CB -0.229 40.686 40.800 0.193 0.000 0.906 673 D HN 0.794 nan 8.370 nan 0.000 0.530 674 T N -5.162 109.441 114.554 0.083 0.000 2.894 674 T HA 0.405 4.241 4.350 -0.856 0.000 0.309 674 T C -2.567 171.812 174.700 -0.534 0.000 1.208 674 T CA -1.530 60.293 62.100 -0.462 0.000 1.016 674 T CB 2.372 71.013 68.868 -0.378 0.000 1.192 674 T HN -0.410 nan 8.240 nan 0.000 0.491 675 P HA -0.058 nan 4.420 nan 0.000 0.216 675 P C 1.116 178.319 177.300 -0.161 0.000 1.150 675 P CA 1.156 64.049 63.100 -0.345 0.000 0.837 675 P CB 0.154 31.680 31.700 -0.290 0.000 0.786 676 E N -1.424 118.631 120.200 -0.242 0.000 2.031 676 E HA -0.203 3.633 4.350 -0.856 0.000 0.193 676 E C 2.164 178.720 176.600 -0.074 0.000 0.994 676 E CA 1.196 57.486 56.400 -0.184 0.000 0.800 676 E CB -0.907 28.612 29.700 -0.300 0.000 0.752 676 E HN 0.386 nan 8.360 nan 0.000 0.447 677 H N -0.030 119.033 119.070 -0.012 0.000 2.387 677 H HA 0.001 4.044 4.556 -0.855 0.000 0.299 677 H C 1.987 177.372 175.328 0.096 0.000 1.090 677 H CA 1.300 57.377 56.048 0.048 0.000 1.332 677 H CB -0.681 29.113 29.762 0.052 0.000 1.386 677 H HN 0.231 nan 8.280 nan 0.000 0.516 678 A N 1.074 124.014 122.820 0.200 0.000 1.859 678 A HA -0.274 3.532 4.320 -0.856 0.000 0.217 678 A C 2.410 180.099 177.584 0.176 0.000 1.198 678 A CA 2.099 54.248 52.037 0.185 0.000 0.629 678 A CB -0.696 18.403 19.000 0.165 0.000 0.830 678 A HN 0.547 nan 8.150 nan 0.000 0.446 679 E N -0.646 119.629 120.200 0.126 0.000 2.049 679 E HA -0.256 3.580 4.350 -0.856 0.000 0.198 679 E C 2.339 179.030 176.600 0.152 0.000 1.007 679 E CA 1.431 57.902 56.400 0.119 0.000 0.809 679 E CB -0.142 29.596 29.700 0.063 0.000 0.749 679 E HN 0.568 nan 8.360 nan 0.000 0.450 680 R N -0.256 120.334 120.500 0.149 0.000 2.083 680 R HA -0.164 3.662 4.340 -0.856 0.000 0.237 680 R C 2.396 178.803 176.300 0.178 0.000 1.137 680 R CA 1.295 57.495 56.100 0.166 0.000 0.951 680 R CB -0.322 30.076 30.300 0.163 0.000 0.851 680 R HN 0.227 nan 8.270 nan 0.000 0.434 681 A N 0.836 123.774 122.820 0.197 0.000 1.858 681 A HA -0.124 3.683 4.320 -0.856 0.000 0.216 681 A C 2.344 180.039 177.584 0.185 0.000 1.190 681 A CA 1.711 53.868 52.037 0.201 0.000 0.617 681 A CB -0.782 18.445 19.000 0.379 0.000 0.827 681 A HN 0.434 nan 8.150 nan 0.000 0.443 682 A N -0.776 122.176 122.820 0.221 0.000 1.883 682 A HA -0.245 3.562 4.320 -0.856 0.000 0.217 682 A C 2.031 179.709 177.584 0.158 0.000 1.186 682 A CA 2.259 54.418 52.037 0.205 0.000 0.624 682 A CB -1.020 18.106 19.000 0.211 0.000 0.822 682 A HN 0.799 nan 8.150 nan 0.000 0.444 683 H N -1.105 118.021 119.070 0.093 0.000 2.489 683 H HA 0.022 4.065 4.556 -0.856 0.000 0.295 683 H C 1.225 176.580 175.328 0.045 0.000 1.082 683 H CA 1.618 57.709 56.048 0.070 0.000 1.295 683 H CB -0.017 29.782 29.762 0.063 0.000 1.380 683 H HN 0.148 nan 8.280 nan 0.000 0.548 684 V N 0.525 120.383 119.914 -0.093 0.000 3.542 684 V HA 0.117 3.724 4.120 -0.856 0.000 0.296 684 V C 0.023 176.023 176.094 -0.155 0.000 1.364 684 V CA 0.054 62.260 62.300 -0.157 0.000 1.118 684 V CB 0.333 32.119 31.823 -0.061 0.000 0.972 684 V HN 0.114 nan 8.190 nan 0.000 0.430 685 V N 2.146 121.980 119.914 -0.133 0.000 2.439 685 V HA 0.191 3.798 4.120 -0.856 0.000 0.271 685 V C 0.279 176.271 176.094 -0.169 0.000 1.040 685 V CA -0.419 61.774 62.300 -0.178 0.000 1.002 685 V CB 0.808 32.528 31.823 -0.172 0.000 1.000 685 V HN 0.351 nan 8.190 nan 0.000 0.477 686 K N 4.351 124.642 120.400 -0.182 0.000 2.316 686 K HA 0.429 4.235 4.320 -0.856 0.000 0.289 686 K C -0.557 175.926 176.600 -0.195 0.000 1.070 686 K CA -0.046 56.148 56.287 -0.154 0.000 0.928 686 K CB 1.163 33.582 32.500 -0.134 0.000 1.039 686 K HN 0.495 nan 8.250 nan 0.000 0.480 687 V N 2.743 122.535 119.914 -0.204 0.000 2.481 687 V HA 0.337 3.943 4.120 -0.856 0.000 0.286 687 V C 0.102 175.937 176.094 -0.432 0.000 1.042 687 V CA -0.799 61.273 62.300 -0.379 0.000 0.928 687 V CB 1.769 33.256 31.823 -0.560 0.000 0.986 687 V HN 0.703 nan 8.190 nan 0.000 0.462 688 T N 4.528 118.835 114.554 -0.412 0.000 2.771 688 T HA 0.614 4.450 4.350 -0.856 0.000 0.281 688 T C -0.823 173.687 174.700 -0.316 0.000 0.982 688 T CA -0.042 61.902 62.100 -0.260 0.000 0.978 688 T CB 0.404 69.193 68.868 -0.132 0.000 0.930 688 T HN 0.464 nan 8.240 nan 0.000 0.447 689 Y N 1.182 121.479 120.300 -0.004 0.000 2.567 689 Y HA 0.530 4.567 4.550 -0.856 0.000 0.333 689 Y C 0.660 176.558 175.900 -0.003 0.000 1.106 689 Y CA -1.121 56.981 58.100 0.003 0.000 1.157 689 Y CB 1.558 40.026 38.460 0.013 0.000 1.277 689 Y HN 0.531 nan 8.280 nan 0.000 0.490 690 E N 1.549 121.864 120.200 0.193 0.000 2.325 690 E HA 0.182 4.019 4.350 -0.856 0.000 0.248 690 E C -1.670 174.963 176.600 0.054 0.000 0.912 690 E CA -0.753 55.701 56.400 0.090 0.000 0.782 690 E CB 0.492 30.219 29.700 0.045 0.000 1.264 690 E HN 0.518 nan 8.360 nan 0.000 0.417 691 D N 3.146 123.565 120.400 0.032 0.000 2.525 691 D HA 0.071 4.197 4.640 -0.856 0.000 0.235 691 D C -0.323 175.939 176.300 -0.063 0.000 1.137 691 D CA 0.816 54.807 54.000 -0.014 0.000 0.868 691 D CB 0.589 41.380 40.800 -0.015 0.000 1.180 691 D HN 0.418 nan 8.370 nan 0.000 0.465 692 L N 3.824 124.970 121.223 -0.129 0.000 2.333 692 L HA 0.411 4.237 4.340 -0.856 0.000 0.269 692 L C -2.038 174.743 176.870 -0.149 0.000 1.010 692 L CA -2.074 52.621 54.840 -0.242 0.000 0.818 692 L CB 1.867 43.550 42.059 -0.628 0.000 1.306 692 L HN 0.209 nan 8.230 nan 0.000 0.430 693 P HA 0.040 nan 4.420 nan 0.000 0.264 693 P C -1.156 176.199 177.300 0.091 0.000 1.179 693 P CA 0.022 63.116 63.100 -0.010 0.000 0.763 693 P CB 0.516 32.210 31.700 -0.010 0.000 0.806 694 A N 3.663 126.526 122.820 0.071 0.000 2.381 694 A HA 0.628 4.434 4.320 -0.856 0.000 0.299 694 A C -0.513 177.073 177.584 0.003 0.000 1.049 694 A CA -0.719 51.369 52.037 0.085 0.000 0.715 694 A CB 0.797 19.835 19.000 0.063 0.000 1.222 694 A HN 0.429 nan 8.150 nan 0.000 0.428 695 I N 3.820 124.369 120.570 -0.034 0.000 2.330 695 I HA 0.284 3.941 4.170 -0.856 0.000 0.286 695 I C 0.227 176.284 176.117 -0.100 0.000 1.025 695 I CA -0.017 61.235 61.300 -0.079 0.000 1.197 695 I CB 1.146 39.077 38.000 -0.115 0.000 1.358 695 I HN 0.700 nan 8.210 nan 0.000 0.467 696 I N 3.185 123.698 120.570 -0.094 0.000 2.947 696 I HA 0.013 3.669 4.170 -0.856 0.000 0.263 696 I C 1.396 177.442 176.117 -0.118 0.000 1.130 696 I CA 0.664 61.892 61.300 -0.121 0.000 1.448 696 I CB 0.229 38.156 38.000 -0.121 0.000 1.222 696 I HN 0.624 nan 8.210 nan 0.000 0.453 697 T N -1.802 112.700 114.554 -0.087 0.000 2.927 697 T HA 0.397 4.234 4.350 -0.856 0.000 0.281 697 T C 1.311 175.984 174.700 -0.045 0.000 0.998 697 T CA -0.516 61.550 62.100 -0.057 0.000 1.019 697 T CB 1.311 70.148 68.868 -0.052 0.000 1.061 697 T HN 0.050 nan 8.240 nan 0.000 0.518 698 I N 0.509 121.085 120.570 0.009 0.000 2.194 698 I HA -0.193 3.463 4.170 -0.856 0.000 0.246 698 I C 2.532 178.612 176.117 -0.062 0.000 1.093 698 I CA 1.572 62.881 61.300 0.016 0.000 1.355 698 I CB -0.377 37.693 38.000 0.117 0.000 1.046 698 I HN 0.714 nan 8.210 nan 0.000 0.413 699 E N 0.752 120.915 120.200 -0.063 0.000 2.110 699 E HA -0.201 3.635 4.350 -0.856 0.000 0.193 699 E C 1.751 178.295 176.600 -0.093 0.000 0.988 699 E CA 1.171 57.520 56.400 -0.085 0.000 0.804 699 E CB -0.223 29.438 29.700 -0.065 0.000 0.745 699 E HN 0.447 nan 8.360 nan 0.000 0.458 700 D N 0.004 120.350 120.400 -0.090 0.000 2.149 700 D HA -0.072 4.055 4.640 -0.856 0.000 0.201 700 D C 1.818 178.029 176.300 -0.147 0.000 0.972 700 D CA 1.312 55.252 54.000 -0.100 0.000 0.835 700 D CB -0.280 40.467 40.800 -0.089 0.000 0.966 700 D HN 0.201 nan 8.370 nan 0.000 0.476 701 A N 0.825 123.541 122.820 -0.173 0.000 1.902 701 A HA -0.123 3.683 4.320 -0.856 0.000 0.217 701 A C 2.350 179.694 177.584 -0.400 0.000 1.181 701 A CA 0.839 52.702 52.037 -0.289 0.000 0.623 701 A CB -0.672 18.179 19.000 -0.249 0.000 0.818 701 A HN 0.147 nan 8.150 nan 0.000 0.443 702 I N 0.219 120.653 120.570 -0.227 0.000 2.113 702 I HA -0.305 3.351 4.170 -0.856 0.000 0.238 702 I C 2.504 178.558 176.117 -0.104 0.000 1.070 702 I CA 2.066 63.304 61.300 -0.103 0.000 1.332 702 I CB -0.250 37.689 38.000 -0.102 0.000 1.044 702 I HN 0.497 nan 8.210 nan 0.000 0.402 703 K N 0.548 120.888 120.400 -0.100 0.000 2.362 703 K HA -0.107 3.699 4.320 -0.856 0.000 0.200 703 K C 1.286 177.836 176.600 -0.083 0.000 1.046 703 K CA 1.573 57.820 56.287 -0.068 0.000 0.952 703 K CB -0.297 32.170 32.500 -0.055 0.000 0.753 703 K HN 0.367 nan 8.250 nan 0.000 0.466 704 N N 1.145 119.761 118.700 -0.140 0.000 2.230 704 N HA -0.041 4.185 4.740 -0.856 0.000 0.202 704 N C -0.676 174.720 175.510 -0.191 0.000 1.119 704 N CA 0.081 53.046 53.050 -0.142 0.000 0.851 704 N CB 0.045 38.445 38.487 -0.146 0.000 0.990 704 N HN 0.297 nan 8.380 nan 0.000 0.497 705 N N 1.205 119.761 118.700 -0.241 0.000 2.667 705 N HA -0.209 4.018 4.740 -0.856 0.000 0.263 705 N C -1.261 173.930 175.510 -0.530 0.000 1.038 705 N CA 0.382 53.261 53.050 -0.285 0.000 0.749 705 N CB -0.960 37.537 38.487 0.017 0.000 0.892 705 N HN 0.015 nan 8.380 nan 0.000 0.546 706 S N 1.861 116.964 115.700 -0.994 0.000 2.532 706 S HA 0.648 4.605 4.470 -0.856 0.000 0.256 706 S C -0.941 173.156 174.600 -0.838 0.000 1.298 706 S CA -0.651 57.131 58.200 -0.695 0.000 1.166 706 S CB -0.175 62.755 63.200 -0.449 0.000 1.022 706 S HN 0.331 nan 8.310 nan 0.000 0.480 707 F N 2.143 121.986 119.950 -0.179 0.000 2.603 707 F HA 0.526 4.539 4.527 -0.857 0.000 0.317 707 F C -0.661 174.977 175.800 -0.269 0.000 1.066 707 F CA -1.275 56.611 58.000 -0.189 0.000 0.941 707 F CB 1.215 40.184 39.000 -0.052 0.000 1.291 707 F HN 0.304 nan 8.300 nan 0.000 0.472 708 Y N 0.997 121.407 120.300 0.183 0.000 2.326 708 Y HA 0.522 4.558 4.550 -0.857 0.000 0.337 708 Y C 0.801 176.735 175.900 0.057 0.000 1.023 708 Y CA -0.155 57.989 58.100 0.072 0.000 1.143 708 Y CB 1.028 39.495 38.460 0.010 0.000 1.183 708 Y HN 0.913 nan 8.280 nan 0.000 0.485 709 G N 1.851 110.761 108.800 0.183 0.000 2.796 709 G HA2 -0.141 3.305 3.960 -0.856 0.000 0.226 709 G HA3 -0.141 3.305 3.960 -0.856 0.000 0.226 709 G C -0.232 174.698 174.900 0.050 0.000 1.381 709 G CA -0.394 44.762 45.100 0.094 0.000 0.867 709 G HN 0.934 nan 8.290 nan 0.000 0.552 710 S N -1.166 114.535 115.700 0.003 0.000 2.718 710 S HA 0.687 4.644 4.470 -0.856 0.000 0.292 710 S C 0.231 174.762 174.600 -0.114 0.000 1.125 710 S CA 0.258 58.425 58.200 -0.055 0.000 1.013 710 S CB 1.706 64.886 63.200 -0.033 0.000 1.192 710 S HN 1.117 nan 8.310 nan 0.000 0.535 711 E N 0.122 120.235 120.200 -0.145 0.000 2.324 711 E HA 0.233 4.070 4.350 -0.856 0.000 0.271 711 E C -1.037 175.484 176.600 -0.132 0.000 1.028 711 E CA -0.289 56.006 56.400 -0.176 0.000 0.890 711 E CB 0.245 29.849 29.700 -0.160 0.000 1.004 711 E HN 0.461 nan 8.360 nan 0.000 0.431 712 L N 4.694 125.810 121.223 -0.179 0.000 2.350 712 L HA 0.385 4.211 4.340 -0.856 0.000 0.275 712 L C 0.248 177.095 176.870 -0.039 0.000 1.099 712 L CA -0.033 54.700 54.840 -0.179 0.000 0.808 712 L CB 0.935 42.781 42.059 -0.356 0.000 1.149 712 L HN 0.507 nan 8.230 nan 0.000 0.442 713 K N 3.253 123.723 120.400 0.116 0.000 2.525 713 K HA 0.607 4.414 4.320 -0.856 0.000 0.254 713 K C -1.612 175.145 176.600 0.261 0.000 0.934 713 K CA -0.554 55.827 56.287 0.158 0.000 0.802 713 K CB 1.944 34.507 32.500 0.105 0.000 1.295 713 K HN 0.446 nan 8.250 nan 0.000 0.433 714 I N 2.584 123.267 120.570 0.188 0.000 2.436 714 I HA 0.317 3.973 4.170 -0.856 0.000 0.289 714 I C -0.800 175.418 176.117 0.169 0.000 1.010 714 I CA -0.571 60.835 61.300 0.178 0.000 1.098 714 I CB 2.021 40.135 38.000 0.190 0.000 1.266 714 I HN 0.588 nan 8.210 nan 0.000 0.434 715 E N 6.584 126.869 120.200 0.142 0.000 2.241 715 E HA 0.417 4.253 4.350 -0.856 0.000 0.263 715 E C -1.327 175.330 176.600 0.095 0.000 0.882 715 E CA -0.806 55.659 56.400 0.109 0.000 0.769 715 E CB 2.130 31.878 29.700 0.081 0.000 1.185 715 E HN 0.471 nan 8.360 nan 0.000 0.415 716 K N 3.040 123.491 120.400 0.085 0.000 2.318 716 K HA 0.693 4.499 4.320 -0.856 0.000 0.249 716 K C 0.148 176.760 176.600 0.020 0.000 0.942 716 K CA 0.282 56.605 56.287 0.060 0.000 0.808 716 K CB 1.580 34.130 32.500 0.083 0.000 1.189 716 K HN 0.682 nan 8.250 nan 0.000 0.428 717 G N 2.104 110.907 108.800 0.005 0.000 2.562 717 G HA2 -0.237 3.209 3.960 -0.856 0.000 0.250 717 G HA3 -0.237 3.209 3.960 -0.856 0.000 0.250 717 G C -1.193 173.693 174.900 -0.023 0.000 1.269 717 G CA 0.142 45.231 45.100 -0.019 0.000 0.919 717 G HN 0.739 nan 8.290 nan 0.000 0.574 718 D N -0.233 120.140 120.400 -0.045 0.000 2.788 718 D HA 0.489 4.616 4.640 -0.856 0.000 0.247 718 D C 1.515 177.768 176.300 -0.078 0.000 1.236 718 D CA -0.506 53.470 54.000 -0.041 0.000 0.898 718 D CB 1.587 42.371 40.800 -0.026 0.000 1.401 718 D HN 0.291 nan 8.370 nan 0.000 0.549 719 L N 2.396 123.581 121.223 -0.063 0.000 2.007 719 L HA 0.035 3.861 4.340 -0.856 0.000 0.205 719 L C 1.576 178.417 176.870 -0.049 0.000 1.073 719 L CA 0.739 55.505 54.840 -0.124 0.000 0.744 719 L CB -0.169 41.898 42.059 0.013 0.000 0.898 719 L HN 0.248 nan 8.230 nan 0.000 0.435 720 K N 1.404 121.850 120.400 0.076 0.000 2.250 720 K HA -0.107 3.699 4.320 -0.856 0.000 0.277 720 K C 0.498 177.114 176.600 0.027 0.000 1.091 720 K CA 0.716 57.062 56.287 0.097 0.000 1.046 720 K CB 0.059 32.608 32.500 0.080 0.000 0.982 720 K HN 0.199 nan 8.250 nan 0.000 0.429 721 K N 1.384 121.791 120.400 0.011 0.000 3.006 721 K HA -0.113 3.694 4.320 -0.856 0.000 0.360 721 K C 1.111 177.669 176.600 -0.070 0.000 0.612 721 K CA 0.799 57.073 56.287 -0.022 0.000 1.511 721 K CB -1.490 30.994 32.500 -0.027 0.000 0.977 721 K HN 0.592 nan 8.250 nan 0.000 0.599 722 G N 0.822 109.531 108.800 -0.151 0.000 2.414 722 G HA2 -0.088 3.358 3.960 -0.856 0.000 0.215 722 G HA3 -0.088 3.358 3.960 -0.856 0.000 0.215 722 G C 1.248 176.007 174.900 -0.235 0.000 1.188 722 G CA 1.021 45.960 45.100 -0.268 0.000 0.783 722 G HN 0.220 nan 8.290 nan 0.000 0.537 723 F N 0.978 120.905 119.950 -0.038 0.000 2.367 723 F HA 0.058 4.071 4.527 -0.857 0.000 0.298 723 F C 3.069 178.842 175.800 -0.045 0.000 1.094 723 F CA 0.714 58.688 58.000 -0.043 0.000 1.409 723 F CB 0.140 39.117 39.000 -0.038 0.000 1.064 723 F HN 0.077 nan 8.300 nan 0.000 0.528 724 S N -0.031 115.740 115.700 0.119 0.000 2.345 724 S HA -0.226 3.730 4.470 -0.856 0.000 0.220 724 S C 1.922 176.533 174.600 0.018 0.000 1.031 724 S CA 1.444 59.677 58.200 0.054 0.000 0.996 724 S CB -0.290 62.930 63.200 0.033 0.000 0.882 724 S HN 0.336 nan 8.310 nan 0.000 0.445 725 E N 1.861 122.059 120.200 -0.004 0.000 2.331 725 E HA 0.006 3.843 4.350 -0.856 0.000 0.199 725 E C 0.426 177.008 176.600 -0.029 0.000 1.008 725 E CA 0.661 57.047 56.400 -0.023 0.000 0.843 725 E CB -0.269 29.408 29.700 -0.039 0.000 0.761 725 E HN 0.433 nan 8.360 nan 0.000 0.507 726 A N 0.528 123.339 122.820 -0.016 0.000 2.401 726 A HA 0.126 3.932 4.320 -0.856 0.000 0.259 726 A C 0.645 178.180 177.584 -0.081 0.000 1.103 726 A CA -0.096 51.919 52.037 -0.038 0.000 0.789 726 A CB 0.485 19.500 19.000 0.026 0.000 1.035 726 A HN 0.167 nan 8.150 nan 0.000 0.491 727 D N 0.856 121.168 120.400 -0.147 0.000 2.107 727 D HA -0.027 4.099 4.640 -0.856 0.000 0.204 727 D C 0.167 176.312 176.300 -0.259 0.000 0.978 727 D CA 1.254 55.149 54.000 -0.176 0.000 0.852 727 D CB 0.060 40.753 40.800 -0.177 0.000 1.008 727 D HN 0.651 nan 8.370 nan 0.000 0.458 728 N N 0.036 118.423 118.700 -0.523 0.000 2.384 728 N HA 0.342 4.568 4.740 -0.856 0.000 0.301 728 N C -1.015 174.184 175.510 -0.518 0.000 1.133 728 N CA -0.365 52.319 53.050 -0.609 0.000 0.853 728 N CB 3.172 41.095 38.487 -0.940 0.000 1.241 728 N HN -0.196 nan 8.380 nan 0.000 0.502 729 V N 2.056 121.862 119.914 -0.179 0.000 2.419 729 V HA 0.196 3.802 4.120 -0.856 0.000 0.287 729 V C -0.291 175.866 176.094 0.106 0.000 1.017 729 V CA -0.648 61.664 62.300 0.022 0.000 0.844 729 V CB 1.797 33.605 31.823 -0.026 0.000 1.011 729 V HN 0.345 nan 8.190 nan 0.000 0.429 730 V N 5.329 125.423 119.914 0.300 0.000 2.509 730 V HA 0.731 4.338 4.120 -0.856 0.000 0.284 730 V C 0.351 176.524 176.094 0.133 0.000 1.047 730 V CA 0.043 62.488 62.300 0.243 0.000 0.952 730 V CB 2.030 34.062 31.823 0.349 0.000 0.988 730 V HN 1.001 nan 8.190 nan 0.000 0.469 731 S N 2.707 118.406 115.700 -0.001 0.000 2.661 731 S HA 1.028 4.985 4.470 -0.856 0.000 0.285 731 S C -0.278 174.088 174.600 -0.390 0.000 1.138 731 S CA -0.115 57.964 58.200 -0.201 0.000 0.855 731 S CB 2.349 65.440 63.200 -0.180 0.000 1.136 731 S HN 1.464 nan 8.310 nan 0.000 0.484 732 G N -0.135 108.182 108.800 -0.806 0.000 2.360 732 G HA2 0.459 3.905 3.960 -0.856 0.000 0.276 732 G HA3 0.459 3.905 3.960 -0.856 0.000 0.276 732 G C -2.126 172.349 174.900 -0.709 0.000 1.256 732 G CA -0.496 44.212 45.100 -0.652 0.000 0.890 732 G HN 0.940 nan 8.290 nan 0.000 0.486 733 E N -1.097 118.994 120.200 -0.182 0.000 2.331 733 E HA 0.668 4.505 4.350 -0.856 0.000 0.275 733 E C -2.033 174.788 176.600 0.368 0.000 0.895 733 E CA -0.756 55.720 56.400 0.128 0.000 0.753 733 E CB 2.553 32.304 29.700 0.085 0.000 1.216 733 E HN 0.596 nan 8.360 nan 0.000 0.434 734 L N 3.757 125.240 121.223 0.433 0.000 2.409 734 L HA 0.555 4.382 4.340 -0.856 0.000 0.262 734 L C -2.036 175.102 176.870 0.445 0.000 0.992 734 L CA -0.622 54.466 54.840 0.413 0.000 0.817 734 L CB 1.869 44.129 42.059 0.336 0.000 1.350 734 L HN 0.648 nan 8.230 nan 0.000 0.411 735 Y N 4.529 125.009 120.300 0.299 0.000 2.462 735 Y HA 0.734 4.769 4.550 -0.857 0.000 0.346 735 Y C -1.234 174.849 175.900 0.306 0.000 0.976 735 Y CA -0.890 57.382 58.100 0.286 0.000 1.044 735 Y CB 1.808 40.401 38.460 0.221 0.000 1.230 735 Y HN 0.616 nan 8.280 nan 0.000 0.455 736 I N 5.307 125.695 120.570 -0.303 0.000 2.478 736 I HA 0.723 4.380 4.170 -0.856 0.000 0.287 736 I C -0.145 175.626 176.117 -0.577 0.000 1.042 736 I CA -0.416 60.712 61.300 -0.287 0.000 1.067 736 I CB 1.330 39.239 38.000 -0.153 0.000 1.233 736 I HN 0.795 nan 8.210 nan 0.000 0.431 737 G N 4.458 113.074 108.800 -0.308 0.000 2.594 737 G HA2 0.455 3.901 3.960 -0.856 0.000 0.243 737 G HA3 0.455 3.901 3.960 -0.856 0.000 0.243 737 G C 0.367 175.210 174.900 -0.095 0.000 1.229 737 G CA -0.027 45.014 45.100 -0.099 0.000 0.843 737 G HN 0.929 nan 8.290 nan 0.000 0.578 738 G N -1.314 107.503 108.800 0.029 0.000 2.486 738 G HA2 0.486 3.933 3.960 -0.856 0.000 0.272 738 G HA3 0.486 3.933 3.960 -0.856 0.000 0.272 738 G C -0.179 174.711 174.900 -0.017 0.000 1.426 738 G CA -0.129 44.983 45.100 0.019 0.000 1.058 738 G HN 0.754 nan 8.290 nan 0.000 0.531 739 Q N -1.521 118.276 119.800 -0.005 0.000 2.503 739 Q HA 0.267 4.093 4.340 -0.856 0.000 0.268 739 Q C -2.248 173.851 176.000 0.166 0.000 0.982 739 Q CA -0.679 55.134 55.803 0.017 0.000 0.907 739 Q CB 2.301 30.820 28.738 -0.365 0.000 1.467 739 Q HN 0.588 nan 8.270 nan 0.000 0.394 740 D N -0.280 120.245 120.400 0.208 0.000 2.175 740 D HA 0.258 4.384 4.640 -0.856 0.000 0.248 740 D C 0.461 176.908 176.300 0.244 0.000 1.047 740 D CA -0.016 54.033 54.000 0.082 0.000 0.883 740 D CB 0.968 41.609 40.800 -0.265 0.000 1.180 740 D HN 0.588 nan 8.370 nan 0.000 0.438 741 H N 2.750 121.780 119.070 -0.067 0.000 2.387 741 H HA 0.003 4.040 4.556 -0.864 0.000 0.299 741 H C 0.518 175.689 175.328 -0.261 0.000 1.090 741 H CA 1.002 56.757 56.048 -0.489 0.000 1.332 741 H CB -0.267 29.125 29.762 -0.617 0.000 1.386 741 H HN 0.499 nan 8.280 nan 0.000 0.516 742 F N 0.490 120.190 119.950 -0.416 0.000 3.048 742 F HA -0.281 4.257 4.527 0.018 0.000 0.269 742 F C -0.665 175.036 175.800 -0.166 0.000 0.960 742 F CA -0.460 57.376 58.000 -0.272 0.000 0.909 742 F CB -1.717 37.276 39.000 -0.012 0.000 0.837 742 F HN 0.165 nan 8.300 nan 0.000 0.768 743 Y N -0.694 119.740 120.300 0.223 0.000 2.620 743 Y HA 0.153 4.219 4.550 -0.806 0.000 0.330 743 Y C 1.064 176.998 175.900 0.058 0.000 1.186 743 Y CA -1.188 57.065 58.100 0.254 0.000 1.467 743 Y CB 0.043 38.577 38.460 0.123 0.000 1.262 743 Y HN 0.087 nan 8.280 nan 0.000 0.550 744 L N 1.347 122.730 121.223 0.266 0.000 2.083 744 L HA -0.093 3.734 4.340 -0.856 0.000 0.209 744 L C 1.086 177.982 176.870 0.042 0.000 1.083 744 L CA 1.460 56.378 54.840 0.130 0.000 0.752 744 L CB -0.602 41.521 42.059 0.107 0.000 0.899 744 L HN 0.873 nan 8.230 nan 0.000 0.433 745 E N 0.670 120.884 120.200 0.023 0.000 2.167 745 E HA 0.151 3.987 4.350 -0.856 0.000 0.284 745 E C -0.045 176.530 176.600 -0.041 0.000 1.016 745 E CA -0.274 56.089 56.400 -0.062 0.000 0.817 745 E CB 1.029 30.625 29.700 -0.173 0.000 1.080 745 E HN 0.249 nan 8.360 nan 0.000 0.397 746 T N 1.491 116.033 114.554 -0.020 0.000 2.729 746 T HA 0.138 3.975 4.350 -0.856 0.000 0.298 746 T C 0.622 175.205 174.700 -0.195 0.000 1.013 746 T CA -0.592 61.505 62.100 -0.005 0.000 0.957 746 T CB 0.418 69.333 68.868 0.077 0.000 1.130 746 T HN 0.441 nan 8.240 nan 0.000 0.526 747 H N -1.176 117.840 119.070 -0.090 0.000 2.871 747 H HA 0.354 4.398 4.556 -0.853 0.000 0.355 747 H C -0.234 175.075 175.328 -0.032 0.000 1.092 747 H CA 0.012 55.997 56.048 -0.105 0.000 1.420 747 H CB 0.553 30.280 29.762 -0.058 0.000 1.400 747 H HN 0.654 nan 8.280 nan 0.000 0.604 748 C N 2.367 121.725 119.300 0.098 0.000 2.931 748 C HA 0.339 4.285 4.460 -0.856 0.000 0.370 748 C C -0.732 174.309 174.990 0.085 0.000 1.071 748 C CA -0.225 58.841 59.018 0.081 0.000 1.266 748 C CB 1.092 28.862 27.740 0.050 0.000 1.691 748 C HN 0.892 nan 8.230 nan 0.000 0.511 749 T N 5.761 120.369 114.554 0.091 0.000 2.971 749 T HA 0.568 4.404 4.350 -0.856 0.000 0.304 749 T C -0.994 173.768 174.700 0.102 0.000 1.038 749 T CA -0.210 61.947 62.100 0.095 0.000 1.007 749 T CB 1.134 70.047 68.868 0.075 0.000 1.055 749 T HN 0.527 nan 8.240 nan 0.000 0.451 750 I N 2.479 123.139 120.570 0.151 0.000 2.378 750 I HA 0.690 4.346 4.170 -0.856 0.000 0.291 750 I C 0.080 176.316 176.117 0.198 0.000 0.992 750 I CA -0.833 60.567 61.300 0.167 0.000 1.154 750 I CB 1.532 39.655 38.000 0.205 0.000 1.315 750 I HN 0.700 nan 8.210 nan 0.000 0.448 751 A N 7.859 130.759 122.820 0.133 0.000 2.318 751 A HA 0.788 4.595 4.320 -0.856 0.000 0.317 751 A C -0.631 177.023 177.584 0.117 0.000 1.159 751 A CA -0.448 51.653 52.037 0.107 0.000 0.799 751 A CB 0.563 19.604 19.000 0.068 0.000 1.194 751 A HN 0.679 nan 8.150 nan 0.000 0.479 752 I N 4.864 125.506 120.570 0.121 0.000 2.354 752 I HA 0.323 3.980 4.170 -0.856 0.000 0.286 752 I C -2.270 173.864 176.117 0.029 0.000 1.007 752 I CA -2.098 59.256 61.300 0.090 0.000 1.167 752 I CB 2.151 40.254 38.000 0.171 0.000 1.320 752 I HN 0.426 nan 8.210 nan 0.000 0.458 753 P HA 0.215 nan 4.420 nan 0.000 0.286 753 P C -0.300 176.981 177.300 -0.031 0.000 1.269 753 P CA -0.574 62.529 63.100 0.006 0.000 0.787 753 P CB 1.693 33.403 31.700 0.017 0.000 0.920 754 K N 2.159 122.546 120.400 -0.020 0.000 2.314 754 K HA 0.101 3.908 4.320 -0.856 0.000 0.198 754 K C 1.541 178.114 176.600 -0.044 0.000 1.045 754 K CA 0.997 57.262 56.287 -0.037 0.000 0.988 754 K CB -0.637 31.850 32.500 -0.022 0.000 0.783 754 K HN 0.833 nan 8.250 nan 0.000 0.484 755 G N 1.566 110.348 108.800 -0.031 0.000 2.241 755 G HA2 -0.253 3.193 3.960 -0.856 0.000 0.244 755 G HA3 -0.253 3.193 3.960 -0.856 0.000 0.244 755 G C -0.299 174.591 174.900 -0.018 0.000 0.998 755 G CA 0.103 45.183 45.100 -0.034 0.000 0.621 755 G HN 0.404 nan 8.290 nan 0.000 0.519 756 E N 0.479 120.673 120.200 -0.010 0.000 2.176 756 E HA 0.582 4.418 4.350 -0.856 0.000 0.267 756 E C 0.204 176.807 176.600 0.006 0.000 0.893 756 E CA -0.809 55.589 56.400 -0.004 0.000 0.761 756 E CB 1.287 30.982 29.700 -0.008 0.000 1.133 756 E HN 0.096 nan 8.360 nan 0.000 0.409 757 E N 1.346 121.554 120.200 0.012 0.000 2.971 757 E HA -0.255 3.581 4.350 -0.856 0.000 0.278 757 E C 0.722 177.335 176.600 0.022 0.000 1.009 757 E CA 1.134 57.542 56.400 0.014 0.000 0.862 757 E CB -1.559 28.144 29.700 0.005 0.000 1.436 757 E HN 1.146 nan 8.360 nan 0.000 0.434 758 G N 0.188 109.012 108.800 0.040 0.000 2.166 758 G HA2 -0.375 3.071 3.960 -0.856 0.000 0.260 758 G HA3 -0.375 3.071 3.960 -0.856 0.000 0.260 758 G C 0.175 175.095 174.900 0.033 0.000 0.986 758 G CA 0.843 45.976 45.100 0.055 0.000 0.683 758 G HN 0.409 nan 8.290 nan 0.000 0.527 759 E N -0.646 119.564 120.200 0.017 0.000 2.437 759 E HA 0.455 4.291 4.350 -0.856 0.000 0.263 759 E C 0.405 177.009 176.600 0.006 0.000 1.030 759 E CA 0.508 56.910 56.400 0.003 0.000 0.934 759 E CB 0.618 30.315 29.700 -0.005 0.000 0.943 759 E HN 0.455 nan 8.360 nan 0.000 0.444 760 M N 1.792 121.387 119.600 -0.008 0.000 2.414 760 M HA 0.188 4.155 4.480 -0.856 0.000 0.287 760 M C -1.827 174.446 176.300 -0.044 0.000 1.181 760 M CA -0.309 54.985 55.300 -0.009 0.000 0.933 760 M CB 2.289 34.894 32.600 0.009 0.000 1.732 760 M HN 0.466 nan 8.290 nan 0.000 0.486 761 E N 3.478 123.644 120.200 -0.056 0.000 2.210 761 E HA 0.689 4.525 4.350 -0.856 0.000 0.266 761 E C -2.077 174.404 176.600 -0.199 0.000 0.883 761 E CA -0.620 55.689 56.400 -0.152 0.000 0.761 761 E CB 1.814 31.430 29.700 -0.140 0.000 1.156 761 E HN 0.590 nan 8.360 nan 0.000 0.412 762 L N 4.137 125.157 121.223 -0.338 0.000 2.386 762 L HA 0.500 4.326 4.340 -0.856 0.000 0.271 762 L C -1.235 175.371 176.870 -0.439 0.000 0.993 762 L CA -0.443 54.253 54.840 -0.241 0.000 0.819 762 L CB 1.433 43.432 42.059 -0.100 0.000 1.294 762 L HN 0.516 nan 8.230 nan 0.000 0.414 763 F N 3.077 123.035 119.950 0.014 0.000 2.403 763 F HA 0.657 4.670 4.527 -0.858 0.000 0.355 763 F C 0.001 175.805 175.800 0.007 0.000 1.119 763 F CA -0.984 57.020 58.000 0.008 0.000 1.007 763 F CB 1.597 40.605 39.000 0.012 0.000 1.194 763 F HN 0.149 nan 8.300 nan 0.000 0.443 764 V N -0.409 119.571 119.914 0.110 0.000 2.823 764 V HA 0.589 4.196 4.120 -0.856 0.000 0.312 764 V C -0.115 176.004 176.094 0.042 0.000 1.072 764 V CA -0.914 61.427 62.300 0.067 0.000 0.937 764 V CB 1.750 33.587 31.823 0.023 0.000 1.013 764 V HN 0.588 nan 8.190 nan 0.000 0.430 765 S N 2.284 117.996 115.700 0.020 0.000 3.036 765 S HA 0.524 4.481 4.470 -0.856 0.000 0.301 765 S C -0.041 174.516 174.600 -0.072 0.000 1.205 765 S CA 0.225 58.403 58.200 -0.037 0.000 0.999 765 S CB -0.838 62.314 63.200 -0.080 0.000 1.337 765 S HN 1.259 nan 8.310 nan 0.000 0.515 766 T N 2.930 117.448 114.554 -0.061 0.000 2.894 766 T HA 0.361 4.197 4.350 -0.856 0.000 0.309 766 T C 0.279 174.938 174.700 -0.069 0.000 1.208 766 T CA -0.533 61.530 62.100 -0.062 0.000 1.016 766 T CB 1.664 70.511 68.868 -0.036 0.000 1.192 766 T HN 0.481 nan 8.240 nan 0.000 0.491 767 Q N 1.524 121.286 119.800 -0.062 0.000 2.392 767 Q HA 0.254 4.081 4.340 -0.856 0.000 0.203 767 Q C 0.111 176.100 176.000 -0.019 0.000 0.917 767 Q CA 0.067 55.845 55.803 -0.043 0.000 0.939 767 Q CB 0.335 29.056 28.738 -0.028 0.000 1.063 767 Q HN 0.367 nan 8.270 nan 0.000 0.516 768 N N -0.173 118.505 118.700 -0.037 0.000 2.762 768 N HA 0.274 4.501 4.740 -0.856 0.000 0.252 768 N C -0.515 174.945 175.510 -0.084 0.000 1.269 768 N CA -0.050 52.970 53.050 -0.051 0.000 0.799 768 N CB 1.165 39.615 38.487 -0.061 0.000 1.173 768 N HN 0.079 nan 8.380 nan 0.000 0.516 769 A N 3.191 125.969 122.820 -0.071 0.000 1.970 769 A HA -0.066 3.741 4.320 -0.856 0.000 0.216 769 A C 2.053 179.580 177.584 -0.096 0.000 1.170 769 A CA 0.688 52.676 52.037 -0.082 0.000 0.645 769 A CB -0.265 18.691 19.000 -0.074 0.000 0.816 769 A HN 0.668 nan 8.150 nan 0.000 0.447 770 M N -1.000 118.547 119.600 -0.088 0.000 2.159 770 M HA -0.151 3.816 4.480 -0.856 0.000 0.263 770 M C 1.468 177.664 176.300 -0.174 0.000 1.063 770 M CA 1.688 56.928 55.300 -0.099 0.000 1.110 770 M CB -0.091 32.469 32.600 -0.066 0.000 1.374 770 M HN 0.105 nan 8.290 nan 0.000 0.411 771 K N -0.200 120.047 120.400 -0.256 0.000 2.228 771 K HA 0.042 3.848 4.320 -0.856 0.000 0.202 771 K C 1.852 178.121 176.600 -0.552 0.000 1.051 771 K CA 1.423 57.399 56.287 -0.519 0.000 0.960 771 K CB -0.825 31.287 32.500 -0.646 0.000 0.743 771 K HN 0.396 nan 8.250 nan 0.000 0.458 772 T N 1.690 116.069 114.554 -0.292 0.000 2.674 772 T HA -0.199 3.638 4.350 -0.856 0.000 0.265 772 T C 1.893 176.534 174.700 -0.098 0.000 1.039 772 T CA 1.429 63.431 62.100 -0.163 0.000 1.150 772 T CB -0.114 68.697 68.868 -0.095 0.000 0.864 772 T HN 0.321 nan 8.240 nan 0.000 0.427 773 Q N 0.715 120.456 119.800 -0.099 0.000 1.985 773 Q HA -0.185 3.641 4.340 -0.856 0.000 0.207 773 Q C 2.567 178.551 176.000 -0.028 0.000 0.996 773 Q CA 2.076 57.842 55.803 -0.062 0.000 0.851 773 Q CB -0.312 28.386 28.738 -0.067 0.000 0.921 773 Q HN 0.418 nan 8.270 nan 0.000 0.418 774 S N 0.112 115.787 115.700 -0.041 0.000 2.372 774 S HA -0.177 3.779 4.470 -0.856 0.000 0.227 774 S C 1.596 176.320 174.600 0.207 0.000 1.044 774 S CA 1.511 59.742 58.200 0.052 0.000 1.050 774 S CB -0.431 62.804 63.200 0.058 0.000 0.901 774 S HN 0.360 nan 8.310 nan 0.000 0.447 775 F N 0.942 120.860 119.950 -0.053 0.000 2.234 775 F HA 0.013 4.026 4.527 -0.857 0.000 0.299 775 F C 2.369 178.128 175.800 -0.068 0.000 1.087 775 F CA -0.236 57.729 58.000 -0.059 0.000 1.340 775 F CB -1.257 37.710 39.000 -0.056 0.000 1.031 775 F HN 0.029 nan 8.300 nan 0.000 0.500 776 V N -0.170 119.822 119.914 0.130 0.000 2.323 776 V HA -0.223 3.384 4.120 -0.856 0.000 0.244 776 V C 2.628 178.722 176.094 0.000 0.000 1.041 776 V CA 1.605 63.928 62.300 0.038 0.000 1.025 776 V CB -1.296 30.535 31.823 0.014 0.000 0.656 776 V HN 0.285 nan 8.190 nan 0.000 0.451 777 A N -0.145 122.680 122.820 0.008 0.000 1.877 777 A HA -0.286 3.520 4.320 -0.856 0.000 0.216 777 A C 2.329 179.896 177.584 -0.029 0.000 1.186 777 A CA 2.315 54.342 52.037 -0.017 0.000 0.620 777 A CB -0.558 18.436 19.000 -0.010 0.000 0.822 777 A HN 0.510 nan 8.150 nan 0.000 0.443 778 K N -0.615 119.782 120.400 -0.005 0.000 2.044 778 K HA -0.261 3.545 4.320 -0.856 0.000 0.210 778 K C 2.146 178.704 176.600 -0.071 0.000 1.049 778 K CA 2.224 58.492 56.287 -0.033 0.000 0.927 778 K CB -0.312 32.172 32.500 -0.026 0.000 0.713 778 K HN 0.563 nan 8.250 nan 0.000 0.443 779 M N 0.377 119.929 119.600 -0.079 0.000 2.117 779 M HA -0.100 3.866 4.480 -0.856 0.000 0.262 779 M C 1.549 177.763 176.300 -0.144 0.000 1.065 779 M CA 1.740 56.974 55.300 -0.111 0.000 1.114 779 M CB -0.530 32.001 32.600 -0.115 0.000 1.361 779 M HN 0.122 nan 8.290 nan 0.000 0.408 780 L N 0.081 121.209 121.223 -0.157 0.000 2.313 780 L HA 0.213 4.040 4.340 -0.856 0.000 0.214 780 L C 1.492 178.230 176.870 -0.219 0.000 1.119 780 L CA 0.629 55.314 54.840 -0.260 0.000 0.809 780 L CB -0.915 41.011 42.059 -0.221 0.000 0.933 780 L HN 0.794 nan 8.230 nan 0.000 0.449 781 G N 0.473 109.195 108.800 -0.130 0.000 2.160 781 G HA2 -0.219 3.227 3.960 -0.856 0.000 0.244 781 G HA3 -0.219 3.227 3.960 -0.856 0.000 0.244 781 G C -0.120 174.739 174.900 -0.068 0.000 1.022 781 G CA 0.128 45.173 45.100 -0.091 0.000 0.741 781 G HN 0.129 nan 8.290 nan 0.000 0.508 782 V N 0.653 120.530 119.914 -0.062 0.000 2.864 782 V HA 0.685 4.292 4.120 -0.856 0.000 0.314 782 V C -1.744 174.331 176.094 -0.031 0.000 1.073 782 V CA -1.717 60.558 62.300 -0.041 0.000 0.956 782 V CB 2.167 33.967 31.823 -0.039 0.000 1.023 782 V HN 0.142 nan 8.190 nan 0.000 0.435 783 P HA 0.135 nan 4.420 nan 0.000 0.269 783 P C 0.932 178.219 177.300 -0.021 0.000 1.215 783 P CA 0.020 63.107 63.100 -0.021 0.000 0.780 783 P CB 0.678 32.367 31.700 -0.019 0.000 0.898 784 V N 1.371 121.272 119.914 -0.021 0.000 2.568 784 V HA -0.245 3.361 4.120 -0.856 0.000 0.253 784 V C 2.038 178.117 176.094 -0.024 0.000 1.072 784 V CA 2.257 64.544 62.300 -0.022 0.000 1.084 784 V CB -1.376 30.433 31.823 -0.023 0.000 0.676 784 V HN 0.688 nan 8.190 nan 0.000 0.469 785 N N 0.491 119.178 118.700 -0.022 0.000 2.550 785 N HA -0.159 4.067 4.740 -0.856 0.000 0.186 785 N C 1.510 177.008 175.510 -0.020 0.000 1.110 785 N CA 0.797 53.835 53.050 -0.021 0.000 0.912 785 N CB -0.370 38.106 38.487 -0.018 0.000 0.968 785 N HN 0.303 nan 8.380 nan 0.000 0.448 786 R N -0.055 120.433 120.500 -0.019 0.000 2.297 786 R HA 0.247 4.074 4.340 -0.856 0.000 0.197 786 R C -0.107 176.179 176.300 -0.023 0.000 0.943 786 R CA -0.022 56.068 56.100 -0.017 0.000 1.038 786 R CB 0.290 30.583 30.300 -0.012 0.000 0.957 786 R HN 0.250 nan 8.270 nan 0.000 0.484 787 I N 1.746 122.298 120.570 -0.030 0.000 2.389 787 I HA 0.248 3.905 4.170 -0.856 0.000 0.288 787 I C -0.559 175.525 176.117 -0.055 0.000 0.999 787 I CA -1.574 59.703 61.300 -0.039 0.000 1.129 787 I CB 1.589 39.569 38.000 -0.033 0.000 1.288 787 I HN -0.166 nan 8.210 nan 0.000 0.444 788 L N 8.413 129.590 121.223 -0.077 0.000 2.287 788 L HA 0.577 4.403 4.340 -0.856 0.000 0.287 788 L C -0.693 176.085 176.870 -0.153 0.000 1.022 788 L CA -0.372 54.405 54.840 -0.105 0.000 0.814 788 L CB 1.603 43.595 42.059 -0.111 0.000 1.217 788 L HN 0.281 nan 8.230 nan 0.000 0.420 789 V N 6.090 125.919 119.914 -0.141 0.000 2.409 789 V HA 0.600 4.207 4.120 -0.856 0.000 0.291 789 V C -0.075 175.921 176.094 -0.163 0.000 1.020 789 V CA -0.647 61.558 62.300 -0.158 0.000 0.848 789 V CB 1.514 33.272 31.823 -0.108 0.000 0.990 789 V HN 0.700 nan 8.190 nan 0.000 0.430 790 R N 3.278 123.644 120.500 -0.223 0.000 2.637 790 R HA 0.878 4.704 4.340 -0.856 0.000 0.291 790 R C -1.557 174.718 176.300 -0.041 0.000 0.963 790 R CA -0.781 55.229 56.100 -0.150 0.000 0.901 790 R CB 2.577 32.746 30.300 -0.218 0.000 1.160 790 R HN 0.476 nan 8.270 nan 0.000 0.457 791 V N 2.933 122.845 119.914 -0.004 0.000 2.577 791 V HA 0.129 3.736 4.120 -0.856 0.000 0.294 791 V C 0.263 176.370 176.094 0.023 0.000 1.052 791 V CA -0.710 61.600 62.300 0.016 0.000 0.891 791 V CB 1.605 33.412 31.823 -0.026 0.000 1.017 791 V HN 0.775 nan 8.190 nan 0.000 0.436 792 K N 4.691 125.118 120.400 0.044 0.000 2.078 792 K HA 0.267 4.074 4.320 -0.856 0.000 0.203 792 K C 0.714 177.319 176.600 0.009 0.000 1.043 792 K CA 1.060 57.361 56.287 0.024 0.000 0.960 792 K CB 0.367 32.870 32.500 0.006 0.000 0.761 792 K HN 0.783 nan 8.250 nan 0.000 0.448 793 R N -1.294 119.194 120.500 -0.020 0.000 2.712 793 R HA 0.384 4.211 4.340 -0.856 0.000 0.272 793 R C -1.440 174.874 176.300 0.023 0.000 1.032 793 R CA -0.876 55.207 56.100 -0.029 0.000 0.874 793 R CB 0.727 30.970 30.300 -0.094 0.000 1.256 793 R HN -0.032 nan 8.270 nan 0.000 0.468 794 M N 0.601 120.223 119.600 0.036 0.000 2.456 794 M HA 0.388 4.355 4.480 -0.856 0.000 0.324 794 M C 0.676 177.063 176.300 0.144 0.000 1.124 794 M CA -0.703 54.628 55.300 0.052 0.000 0.959 794 M CB 2.411 34.953 32.600 -0.097 0.000 1.692 794 M HN 0.963 nan 8.290 nan 0.000 0.444 795 G N 1.562 110.432 108.800 0.117 0.000 3.392 795 G HA2 0.461 3.907 3.960 -0.856 0.000 0.247 795 G HA3 0.461 3.907 3.960 -0.856 0.000 0.247 795 G C 0.374 175.265 174.900 -0.014 0.000 1.161 795 G CA 0.406 45.490 45.100 -0.027 0.000 1.739 795 G HN 1.083 nan 8.290 nan 0.000 0.619 796 G N -2.016 106.729 108.800 -0.091 0.000 2.576 796 G HA2 0.416 3.862 3.960 -0.856 0.000 0.686 796 G HA3 0.416 3.862 3.960 -0.856 0.000 0.686 796 G C 0.393 175.063 174.900 -0.384 0.000 1.242 796 G CA -0.309 44.638 45.100 -0.254 0.000 0.819 796 G HN 1.065 nan 8.290 nan 0.000 0.655 797 G N -0.838 107.546 108.800 -0.692 0.000 2.641 797 G HA2 0.524 3.970 3.960 -0.856 0.000 0.211 797 G HA3 0.524 3.970 3.960 -0.856 0.000 0.211 797 G C 0.979 175.780 174.900 -0.165 0.000 1.338 797 G CA 0.936 45.805 45.100 -0.385 0.000 0.572 797 G HN 1.654 nan 8.290 nan 0.000 1.023 798 F N 1.122 121.101 119.950 0.048 0.000 3.112 798 F HA -0.217 3.831 4.527 -0.798 0.000 0.280 798 F C 1.994 177.843 175.800 0.081 0.000 0.863 798 F CA 1.081 59.115 58.000 0.056 0.000 0.987 798 F CB -1.396 37.595 39.000 -0.015 0.000 1.153 798 F HN 1.053 nan 8.300 nan 0.000 0.517 799 G N -1.369 107.513 108.800 0.137 0.000 2.307 799 G HA2 -0.150 3.296 3.960 -0.856 0.000 0.210 799 G HA3 -0.150 3.296 3.960 -0.856 0.000 0.210 799 G C 1.059 176.000 174.900 0.067 0.000 1.005 799 G CA -0.141 45.078 45.100 0.199 0.000 0.634 799 G HN 1.079 nan 8.290 nan 0.000 0.496 800 G N 0.144 108.721 108.800 -0.372 0.000 2.679 800 G HA2 0.226 3.672 3.960 -0.856 0.000 0.212 800 G HA3 0.226 3.672 3.960 -0.856 0.000 0.212 800 G C 1.158 175.994 174.900 -0.108 0.000 1.137 800 G CA 1.371 46.084 45.100 -0.645 0.000 0.787 800 G HN 0.510 nan 8.290 nan 0.000 0.534 801 K N -0.358 119.975 120.400 -0.111 0.000 2.438 801 K HA 0.194 4.000 4.320 -0.856 0.000 0.205 801 K C 1.528 178.126 176.600 -0.002 0.000 1.033 801 K CA -0.117 56.142 56.287 -0.047 0.000 1.089 801 K CB 0.676 33.046 32.500 -0.218 0.000 0.857 801 K HN 0.326 nan 8.250 nan 0.000 0.522 802 E N 0.782 121.009 120.200 0.044 0.000 2.047 802 E HA -0.158 3.678 4.350 -0.856 0.000 0.191 802 E C 1.413 178.055 176.600 0.070 0.000 0.987 802 E CA 2.004 58.451 56.400 0.078 0.000 0.799 802 E CB 0.372 30.162 29.700 0.149 0.000 0.752 802 E HN 0.288 nan 8.360 nan 0.000 0.449 803 T N -2.906 111.709 114.554 0.102 0.000 3.057 803 T HA 0.205 4.041 4.350 -0.856 0.000 0.254 803 T C 1.692 176.443 174.700 0.085 0.000 0.965 803 T CA -0.539 61.613 62.100 0.087 0.000 0.978 803 T CB -0.050 68.913 68.868 0.158 0.000 1.169 803 T HN -0.094 nan 8.240 nan 0.000 0.489 804 R N 2.566 123.123 120.500 0.095 0.000 2.280 804 R HA 0.158 3.984 4.340 -0.856 0.000 0.207 804 R C 2.712 178.942 176.300 -0.117 0.000 1.043 804 R CA 1.071 57.190 56.100 0.033 0.000 1.006 804 R CB -1.226 29.105 30.300 0.053 0.000 0.885 804 R HN 0.719 nan 8.270 nan 0.000 0.467 805 S N 0.349 116.034 115.700 -0.024 0.000 2.440 805 S HA -0.166 3.790 4.470 -0.856 0.000 0.240 805 S C 1.831 176.405 174.600 -0.042 0.000 1.014 805 S CA 1.773 59.968 58.200 -0.008 0.000 0.980 805 S CB -0.488 62.779 63.200 0.111 0.000 0.775 805 S HN 0.475 nan 8.310 nan 0.000 0.499 806 T N -0.111 114.444 114.554 0.002 0.000 3.085 806 T HA 0.239 4.075 4.350 -0.856 0.000 0.263 806 T C 1.709 176.433 174.700 0.040 0.000 1.127 806 T CA 0.489 62.631 62.100 0.069 0.000 1.103 806 T CB -0.601 68.407 68.868 0.234 0.000 0.921 806 T HN 0.435 nan 8.240 nan 0.000 0.510 807 L N 0.483 121.693 121.223 -0.021 0.000 2.201 807 L HA 0.007 3.833 4.340 -0.856 0.000 0.212 807 L C 2.673 179.517 176.870 -0.043 0.000 1.105 807 L CA 0.711 55.525 54.840 -0.044 0.000 0.775 807 L CB -0.519 41.508 42.059 -0.053 0.000 0.913 807 L HN 0.230 nan 8.230 nan 0.000 0.440 808 V N -1.574 118.312 119.914 -0.045 0.000 2.426 808 V HA -0.124 3.483 4.120 -0.856 0.000 0.242 808 V C 2.497 178.602 176.094 0.018 0.000 1.036 808 V CA 1.356 63.659 62.300 0.004 0.000 1.044 808 V CB 0.298 32.139 31.823 0.029 0.000 0.688 808 V HN 0.279 nan 8.190 nan 0.000 0.462 809 S N 0.246 115.957 115.700 0.018 0.000 2.359 809 S HA -0.181 3.775 4.470 -0.856 0.000 0.224 809 S C 2.017 176.627 174.600 0.018 0.000 1.035 809 S CA 1.668 59.884 58.200 0.027 0.000 1.018 809 S CB -0.205 63.010 63.200 0.025 0.000 0.876 809 S HN 0.348 nan 8.310 nan 0.000 0.448 810 V N 1.776 121.691 119.914 0.002 0.000 2.358 810 V HA -0.158 3.448 4.120 -0.856 0.000 0.246 810 V C 2.589 178.638 176.094 -0.074 0.000 1.047 810 V CA 1.596 63.876 62.300 -0.034 0.000 1.035 810 V CB -1.167 30.620 31.823 -0.059 0.000 0.658 810 V HN 0.528 nan 8.190 nan 0.000 0.452 811 A N -0.191 122.574 122.820 -0.091 0.000 1.877 811 A HA -0.173 3.633 4.320 -0.856 0.000 0.216 811 A C 2.381 180.009 177.584 0.073 0.000 1.186 811 A CA 2.168 54.188 52.037 -0.027 0.000 0.620 811 A CB -0.742 18.280 19.000 0.037 0.000 0.822 811 A HN 0.328 nan 8.150 nan 0.000 0.443 812 V N -0.188 119.762 119.914 0.060 0.000 2.515 812 V HA -0.211 3.396 4.120 -0.856 0.000 0.250 812 V C 3.015 179.148 176.094 0.064 0.000 1.058 812 V CA 1.732 64.072 62.300 0.066 0.000 1.064 812 V CB -1.121 30.738 31.823 0.061 0.000 0.675 812 V HN 0.629 nan 8.190 nan 0.000 0.461 813 A N 0.040 122.891 122.820 0.052 0.000 1.877 813 A HA -0.217 3.589 4.320 -0.856 0.000 0.216 813 A C 2.171 179.812 177.584 0.095 0.000 1.186 813 A CA 2.202 54.274 52.037 0.058 0.000 0.620 813 A CB -0.566 18.451 19.000 0.030 0.000 0.822 813 A HN 0.479 nan 8.150 nan 0.000 0.443 814 L N -0.212 121.065 121.223 0.091 0.000 1.994 814 L HA -0.053 3.773 4.340 -0.856 0.000 0.208 814 L C 2.674 179.654 176.870 0.184 0.000 1.071 814 L CA 2.348 57.278 54.840 0.150 0.000 0.745 814 L CB -0.860 41.287 42.059 0.147 0.000 0.892 814 L HN 0.351 nan 8.230 nan 0.000 0.431 815 A N -0.082 122.813 122.820 0.126 0.000 1.915 815 A HA -0.295 3.512 4.320 -0.856 0.000 0.220 815 A C 2.484 180.105 177.584 0.062 0.000 1.198 815 A CA 2.681 54.761 52.037 0.072 0.000 0.647 815 A CB -1.482 17.548 19.000 0.050 0.000 0.825 815 A HN 0.680 nan 8.150 nan 0.000 0.456 816 A N -1.723 121.146 122.820 0.081 0.000 1.902 816 A HA -0.105 3.701 4.320 -0.856 0.000 0.217 816 A C 2.164 179.802 177.584 0.090 0.000 1.181 816 A CA 1.757 53.840 52.037 0.077 0.000 0.623 816 A CB -0.876 18.169 19.000 0.076 0.000 0.818 816 A HN 0.871 nan 8.150 nan 0.000 0.443 817 Y N 0.378 120.688 120.300 0.017 0.000 2.165 817 Y HA -0.196 3.840 4.550 -0.857 0.000 0.286 817 Y C 2.326 178.236 175.900 0.017 0.000 1.155 817 Y CA 2.400 60.508 58.100 0.014 0.000 1.164 817 Y CB -0.071 38.396 38.460 0.012 0.000 0.978 817 Y HN 0.169 nan 8.280 nan 0.000 0.513 818 K N -0.307 120.039 120.400 -0.090 0.000 2.103 818 K HA -0.088 3.719 4.320 -0.856 0.000 0.204 818 K C 1.871 178.378 176.600 -0.155 0.000 1.052 818 K CA 1.759 57.944 56.287 -0.169 0.000 0.945 818 K CB -0.332 32.169 32.500 0.001 0.000 0.722 818 K HN 0.582 nan 8.250 nan 0.000 0.443 819 T N -3.953 110.555 114.554 -0.078 0.000 3.044 819 T HA 0.156 3.992 4.350 -0.856 0.000 0.250 819 T C 1.341 176.101 174.700 0.100 0.000 1.081 819 T CA 0.789 62.871 62.100 -0.029 0.000 1.040 819 T CB 0.295 69.118 68.868 -0.074 0.000 0.962 819 T HN 0.284 nan 8.240 nan 0.000 0.506 820 G N 1.321 110.132 108.800 0.019 0.000 2.196 820 G HA2 -0.254 3.193 3.960 -0.856 0.000 0.268 820 G HA3 -0.254 3.193 3.960 -0.856 0.000 0.268 820 G C -0.143 174.773 174.900 0.027 0.000 0.975 820 G CA 0.571 45.674 45.100 0.006 0.000 0.648 820 G HN 0.757 nan 8.290 nan 0.000 0.538 821 H N 0.836 119.864 119.070 -0.069 0.000 2.502 821 H HA 0.537 4.579 4.556 -0.856 0.000 0.338 821 H C -2.165 173.129 175.328 -0.056 0.000 1.155 821 H CA -1.990 54.020 56.048 -0.064 0.000 1.237 821 H CB 1.083 30.816 29.762 -0.048 0.000 1.534 821 H HN 0.043 nan 8.280 nan 0.000 0.523 822 P HA -0.006 nan 4.420 nan 0.000 0.265 822 P C -0.685 176.632 177.300 0.028 0.000 1.193 822 P CA 0.205 63.334 63.100 0.049 0.000 0.765 822 P CB 0.564 32.322 31.700 0.097 0.000 0.823 823 V N 4.401 124.320 119.914 0.008 0.000 2.789 823 V HA 0.624 4.231 4.120 -0.856 0.000 0.311 823 V C 0.363 176.416 176.094 -0.068 0.000 1.073 823 V CA -0.695 61.569 62.300 -0.059 0.000 0.921 823 V CB 2.237 34.053 31.823 -0.013 0.000 1.009 823 V HN 0.642 nan 8.190 nan 0.000 0.426 824 R N 2.056 122.459 120.500 -0.162 0.000 2.837 824 R HA 0.918 4.745 4.340 -0.856 0.000 0.271 824 R C -1.495 174.828 176.300 0.039 0.000 0.993 824 R CA -0.592 55.467 56.100 -0.068 0.000 0.931 824 R CB 1.870 32.104 30.300 -0.109 0.000 1.206 824 R HN 0.708 nan 8.270 nan 0.000 0.474 825 C N 3.175 122.530 119.300 0.092 0.000 2.642 825 C HA 0.607 4.554 4.460 -0.856 0.000 0.344 825 C C -1.049 174.015 174.990 0.124 0.000 1.110 825 C CA -0.586 58.513 59.018 0.135 0.000 1.298 825 C CB 1.398 29.210 27.740 0.120 0.000 1.827 825 C HN 0.998 nan 8.230 nan 0.000 0.467 826 M N 6.501 126.181 119.600 0.133 0.000 2.321 826 M HA 0.596 4.562 4.480 -0.856 0.000 0.315 826 M C -1.250 175.115 176.300 0.107 0.000 1.052 826 M CA -0.566 54.798 55.300 0.107 0.000 0.936 826 M CB 1.297 33.950 32.600 0.090 0.000 1.639 826 M HN 0.692 nan 8.290 nan 0.000 0.433 827 L N 3.364 124.653 121.223 0.110 0.000 2.417 827 L HA 0.296 4.123 4.340 -0.856 0.000 0.268 827 L C 0.177 177.095 176.870 0.080 0.000 1.158 827 L CA -0.716 54.189 54.840 0.108 0.000 0.819 827 L CB 0.358 42.499 42.059 0.136 0.000 1.112 827 L HN 0.620 nan 8.230 nan 0.000 0.458 828 D N 0.709 121.150 120.400 0.069 0.000 2.360 828 D HA 0.025 4.151 4.640 -0.856 0.000 0.242 828 D C 0.982 177.302 176.300 0.033 0.000 1.184 828 D CA -0.186 53.841 54.000 0.045 0.000 0.930 828 D CB 0.923 41.749 40.800 0.044 0.000 1.161 828 D HN 0.373 nan 8.370 nan 0.000 0.447 829 R N 1.305 121.804 120.500 -0.003 0.000 2.096 829 R HA -0.200 3.626 4.340 -0.856 0.000 0.240 829 R C 1.762 178.055 176.300 -0.011 0.000 1.139 829 R CA 1.911 57.979 56.100 -0.053 0.000 0.952 829 R CB -0.190 30.057 30.300 -0.089 0.000 0.854 829 R HN 0.536 nan 8.270 nan 0.000 0.436 830 N N 0.323 119.037 118.700 0.023 0.000 2.223 830 N HA -0.195 4.032 4.740 -0.856 0.000 0.185 830 N C 1.189 176.731 175.510 0.054 0.000 1.016 830 N CA 1.739 54.813 53.050 0.040 0.000 0.863 830 N CB -0.373 38.145 38.487 0.051 0.000 0.983 830 N HN 0.465 nan 8.380 nan 0.000 0.429 831 E N 0.462 120.702 120.200 0.067 0.000 2.031 831 E HA -0.171 3.666 4.350 -0.856 0.000 0.193 831 E C 1.448 178.105 176.600 0.096 0.000 0.994 831 E CA 1.066 57.519 56.400 0.089 0.000 0.800 831 E CB -0.130 29.630 29.700 0.098 0.000 0.752 831 E HN 0.389 nan 8.360 nan 0.000 0.447 832 D N 0.546 121.008 120.400 0.103 0.000 2.104 832 D HA -0.172 3.954 4.640 -0.856 0.000 0.194 832 D C 1.991 178.363 176.300 0.120 0.000 0.994 832 D CA 1.179 55.272 54.000 0.155 0.000 0.830 832 D CB 0.025 40.936 40.800 0.185 0.000 0.959 832 D HN 0.134 nan 8.370 nan 0.000 0.452 833 M N -0.303 119.323 119.600 0.044 0.000 2.229 833 M HA -0.145 3.821 4.480 -0.856 0.000 0.264 833 M C 2.167 178.494 176.300 0.045 0.000 1.063 833 M CA 0.544 55.849 55.300 0.008 0.000 1.114 833 M CB 0.046 32.613 32.600 -0.056 0.000 1.387 833 M HN 0.054 nan 8.290 nan 0.000 0.420 834 L N 0.389 121.650 121.223 0.062 0.000 2.005 834 L HA -0.110 3.716 4.340 -0.856 0.000 0.207 834 L C 1.936 178.865 176.870 0.098 0.000 1.072 834 L CA 1.940 56.829 54.840 0.082 0.000 0.744 834 L CB -0.301 41.809 42.059 0.085 0.000 0.895 834 L HN 0.210 nan 8.230 nan 0.000 0.433 835 I N -1.345 119.285 120.570 0.100 0.000 2.400 835 I HA -0.151 3.506 4.170 -0.856 0.000 0.248 835 I C 2.231 178.401 176.117 0.088 0.000 1.109 835 I CA 1.270 62.627 61.300 0.094 0.000 1.425 835 I CB -0.690 37.364 38.000 0.090 0.000 1.094 835 I HN 0.376 nan 8.210 nan 0.000 0.425 836 T N -0.924 113.699 114.554 0.115 0.000 3.072 836 T HA 0.267 4.104 4.350 -0.856 0.000 0.266 836 T C 1.084 175.893 174.700 0.182 0.000 1.127 836 T CA 0.432 62.607 62.100 0.125 0.000 1.107 836 T CB -0.579 68.442 68.868 0.256 0.000 0.910 836 T HN 0.583 nan 8.240 nan 0.000 0.513 837 G N -0.796 108.113 108.800 0.181 0.000 2.733 837 G HA2 0.377 3.823 3.960 -0.856 0.000 0.686 837 G HA3 0.377 3.823 3.960 -0.856 0.000 0.686 837 G C -0.092 174.998 174.900 0.317 0.000 1.373 837 G CA -0.607 44.609 45.100 0.193 0.000 0.838 837 G HN 1.228 nan 8.290 nan 0.000 0.588 838 G N -0.526 108.420 108.800 0.243 0.000 2.976 838 G HA2 0.794 4.240 3.960 -0.856 0.000 0.276 838 G HA3 0.794 4.240 3.960 -0.856 0.000 0.276 838 G C -0.047 174.974 174.900 0.203 0.000 1.207 838 G CA 0.093 45.314 45.100 0.201 0.000 0.803 838 G HN 0.994 nan 8.290 nan 0.000 0.572 839 R N 0.073 120.700 120.500 0.212 0.000 2.594 839 R HA 0.180 4.006 4.340 -0.856 0.000 0.272 839 R C -0.394 175.978 176.300 0.120 0.000 1.074 839 R CA -0.325 55.880 56.100 0.175 0.000 1.105 839 R CB 0.069 30.294 30.300 -0.125 0.000 1.008 839 R HN 0.581 nan 8.270 nan 0.000 0.472 840 H N 4.701 123.855 119.070 0.141 0.000 2.878 840 H HA 0.114 4.156 4.556 -0.857 0.000 0.290 840 H C -1.901 173.565 175.328 0.229 0.000 1.065 840 H CA -1.600 54.568 56.048 0.202 0.000 1.477 840 H CB 0.782 30.721 29.762 0.295 0.000 1.484 840 H HN 0.439 nan 8.280 nan 0.000 0.504 841 P HA -0.010 nan 4.420 nan 0.000 0.267 841 P C -0.580 176.913 177.300 0.321 0.000 1.200 841 P CA 0.620 63.793 63.100 0.123 0.000 0.772 841 P CB 0.417 32.163 31.700 0.077 0.000 0.855 842 F N 1.459 121.341 119.950 -0.113 0.000 2.520 842 F HA 0.450 4.463 4.527 -0.856 0.000 0.322 842 F C 0.107 175.943 175.800 0.061 0.000 1.103 842 F CA -1.171 56.859 58.000 0.051 0.000 0.926 842 F CB 1.653 40.725 39.000 0.119 0.000 1.154 842 F HN 0.099 nan 8.300 nan 0.000 0.453 843 L N 3.426 124.865 121.223 0.360 0.000 2.325 843 L HA 0.879 4.705 4.340 -0.856 0.000 0.278 843 L C -0.939 176.195 176.870 0.440 0.000 1.023 843 L CA -0.331 54.768 54.840 0.431 0.000 0.811 843 L CB 1.542 43.834 42.059 0.388 0.000 1.249 843 L HN 0.627 nan 8.230 nan 0.000 0.431 844 A N 4.964 128.025 122.820 0.400 0.000 2.398 844 A HA 0.814 4.620 4.320 -0.856 0.000 0.301 844 A C -1.017 176.780 177.584 0.354 0.000 1.041 844 A CA -0.740 51.500 52.037 0.338 0.000 0.711 844 A CB 1.112 20.279 19.000 0.278 0.000 1.240 844 A HN 0.706 nan 8.150 nan 0.000 0.420 845 R N 1.631 122.301 120.500 0.284 0.000 2.343 845 R HA 0.574 4.400 4.340 -0.856 0.000 0.320 845 R C -1.470 174.930 176.300 0.166 0.000 0.956 845 R CA -0.409 55.800 56.100 0.181 0.000 0.836 845 R CB 1.331 31.716 30.300 0.143 0.000 1.151 845 R HN 0.801 nan 8.270 nan 0.000 0.450 846 Y N -0.763 119.568 120.300 0.052 0.000 2.576 846 Y HA 0.663 4.700 4.550 -0.856 0.000 0.346 846 Y C -0.965 174.937 175.900 0.002 0.000 1.018 846 Y CA -1.373 56.739 58.100 0.020 0.000 1.050 846 Y CB 2.076 40.574 38.460 0.064 0.000 1.280 846 Y HN 0.302 nan 8.280 nan 0.000 0.474 847 K N 2.578 123.047 120.400 0.114 0.000 2.601 847 K HA 0.637 4.444 4.320 -0.856 0.000 0.249 847 K C -2.208 174.474 176.600 0.136 0.000 0.966 847 K CA -0.677 55.639 56.287 0.047 0.000 0.827 847 K CB 2.080 34.529 32.500 -0.085 0.000 1.178 847 K HN 0.724 nan 8.250 nan 0.000 0.437 848 V N 1.459 121.469 119.914 0.160 0.000 2.555 848 V HA 0.710 4.316 4.120 -0.856 0.000 0.302 848 V C 0.331 176.644 176.094 0.365 0.000 1.038 848 V CA -0.980 61.383 62.300 0.105 0.000 0.887 848 V CB 1.712 33.496 31.823 -0.065 0.000 0.991 848 V HN 0.834 nan 8.190 nan 0.000 0.434 849 G N 3.559 112.553 108.800 0.324 0.000 2.478 849 G HA2 0.808 4.255 3.960 -0.856 0.000 0.317 849 G HA3 0.808 4.255 3.960 -0.856 0.000 0.317 849 G C -1.140 173.924 174.900 0.273 0.000 1.259 849 G CA -0.482 44.801 45.100 0.304 0.000 0.933 849 G HN 0.807 nan 8.290 nan 0.000 0.478 850 F N 0.565 120.514 119.950 -0.002 0.000 2.662 850 F HA 0.770 4.784 4.527 -0.855 0.000 0.312 850 F C -0.567 175.229 175.800 -0.007 0.000 1.113 850 F CA -1.889 56.099 58.000 -0.021 0.000 0.951 850 F CB 1.461 40.455 39.000 -0.010 0.000 1.344 850 F HN 0.188 nan 8.300 nan 0.000 0.462 851 M N 1.521 121.191 119.600 0.117 0.000 2.291 851 M HA 0.327 4.294 4.480 -0.856 0.000 0.324 851 M C 1.033 177.384 176.300 0.084 0.000 1.148 851 M CA -0.534 54.780 55.300 0.024 0.000 1.104 851 M CB 1.221 33.840 32.600 0.031 0.000 1.483 851 M HN 0.841 nan 8.290 nan 0.000 0.467 852 K N 0.297 120.710 120.400 0.022 0.000 2.286 852 K HA -0.126 3.681 4.320 -0.856 0.000 0.203 852 K C 1.499 178.161 176.600 0.103 0.000 1.045 852 K CA 1.536 57.861 56.287 0.063 0.000 0.935 852 K CB -0.123 32.391 32.500 0.023 0.000 0.737 852 K HN 0.732 nan 8.250 nan 0.000 0.460 853 T N -1.075 113.531 114.554 0.086 0.000 2.915 853 T HA -0.052 3.785 4.350 -0.856 0.000 0.269 853 T C 1.382 176.141 174.700 0.099 0.000 1.071 853 T CA 1.235 63.382 62.100 0.079 0.000 1.132 853 T CB -0.102 68.798 68.868 0.053 0.000 0.878 853 T HN 0.511 nan 8.240 nan 0.000 0.479 854 G N 1.055 109.947 108.800 0.153 0.000 2.179 854 G HA2 -0.225 3.221 3.960 -0.856 0.000 0.220 854 G HA3 -0.225 3.221 3.960 -0.856 0.000 0.220 854 G C 0.252 175.188 174.900 0.061 0.000 0.990 854 G CA 0.010 45.184 45.100 0.123 0.000 0.646 854 G HN 0.526 nan 8.290 nan 0.000 0.517 855 T N 1.837 116.431 114.554 0.067 0.000 2.834 855 T HA 0.505 4.341 4.350 -0.856 0.000 0.298 855 T C 0.591 175.321 174.700 0.051 0.000 0.966 855 T CA 0.064 62.175 62.100 0.018 0.000 1.141 855 T CB 1.490 70.358 68.868 0.000 0.000 0.905 855 T HN 0.230 nan 8.240 nan 0.000 0.535 856 I N 3.978 124.543 120.570 -0.008 0.000 2.496 856 I HA 0.075 3.731 4.170 -0.856 0.000 0.285 856 I C 1.090 177.174 176.117 -0.055 0.000 1.080 856 I CA 0.392 61.679 61.300 -0.021 0.000 1.404 856 I CB 1.242 39.186 38.000 -0.094 0.000 1.403 856 I HN 0.478 nan 8.210 nan 0.000 0.539 857 V N 5.247 125.126 119.914 -0.058 0.000 3.219 857 V HA 0.512 4.118 4.120 -0.856 0.000 0.240 857 V C 0.468 176.425 176.094 -0.228 0.000 1.222 857 V CA 0.797 63.029 62.300 -0.114 0.000 1.181 857 V CB 0.523 32.300 31.823 -0.077 0.000 0.941 857 V HN 0.809 nan 8.190 nan 0.000 0.471 858 A N 0.101 122.737 122.820 -0.307 0.000 2.556 858 A HA 0.857 4.663 4.320 -0.856 0.000 0.294 858 A C -2.086 175.262 177.584 -0.394 0.000 1.091 858 A CA -0.405 51.316 52.037 -0.527 0.000 0.704 858 A CB 2.319 20.600 19.000 -1.199 0.000 1.300 858 A HN 0.182 nan 8.150 nan 0.000 0.406 859 L N 0.318 121.336 121.223 -0.341 0.000 2.543 859 L HA 0.698 4.524 4.340 -0.856 0.000 0.265 859 L C -0.884 175.945 176.870 -0.069 0.000 0.945 859 L CA 0.061 54.751 54.840 -0.251 0.000 0.869 859 L CB 2.029 43.823 42.059 -0.440 0.000 1.294 859 L HN 0.861 nan 8.230 nan 0.000 0.405 860 E N 4.180 124.417 120.200 0.061 0.000 2.244 860 E HA 0.692 4.529 4.350 -0.856 0.000 0.260 860 E C -2.023 174.614 176.600 0.060 0.000 0.884 860 E CA -0.630 55.834 56.400 0.105 0.000 0.777 860 E CB 1.813 31.646 29.700 0.223 0.000 1.197 860 E HN 0.470 nan 8.360 nan 0.000 0.416 861 V N 4.314 124.252 119.914 0.040 0.000 2.483 861 V HA 0.320 3.926 4.120 -0.856 0.000 0.297 861 V C -0.897 175.164 176.094 -0.056 0.000 1.027 861 V CA -0.999 61.294 62.300 -0.012 0.000 0.855 861 V CB 1.815 33.592 31.823 -0.077 0.000 0.995 861 V HN 0.710 nan 8.190 nan 0.000 0.424 862 D N 2.769 123.135 120.400 -0.056 0.000 2.233 862 D HA 0.448 4.574 4.640 -0.856 0.000 0.240 862 D C -0.472 175.715 176.300 -0.188 0.000 1.074 862 D CA -0.240 53.698 54.000 -0.102 0.000 0.838 862 D CB 1.296 42.070 40.800 -0.043 0.000 1.124 862 D HN 0.586 nan 8.370 nan 0.000 0.475 863 H N 1.078 120.033 119.070 -0.191 0.000 2.458 863 H HA 0.387 4.429 4.556 -0.857 0.000 0.330 863 H C -0.741 174.283 175.328 -0.507 0.000 1.111 863 H CA -0.307 55.668 56.048 -0.122 0.000 1.245 863 H CB 0.806 30.579 29.762 0.019 0.000 1.456 863 H HN 0.294 nan 8.280 nan 0.000 0.488 864 Y N 0.509 120.805 120.300 -0.007 0.000 2.361 864 Y HA 0.341 4.376 4.550 -0.858 0.000 0.337 864 Y C -0.060 175.623 175.900 -0.362 0.000 0.965 864 Y CA -0.939 57.093 58.100 -0.113 0.000 1.091 864 Y CB 1.855 40.342 38.460 0.044 0.000 1.182 864 Y HN 0.658 nan 8.280 nan 0.000 0.450 865 S N 1.826 117.320 115.700 -0.343 0.000 2.608 865 S HA 0.398 4.354 4.470 -0.856 0.000 0.291 865 S C -0.581 174.038 174.600 0.033 0.000 1.146 865 S CA -0.914 57.055 58.200 -0.385 0.000 1.043 865 S CB 1.435 64.326 63.200 -0.515 0.000 1.037 865 S HN 0.649 nan 8.310 nan 0.000 0.520 866 N N 1.451 120.219 118.700 0.112 0.000 2.521 866 N HA 0.361 4.587 4.740 -0.856 0.000 0.236 866 N C 0.871 176.444 175.510 0.104 0.000 1.067 866 N CA -0.106 53.008 53.050 0.106 0.000 0.939 866 N CB 1.005 39.541 38.487 0.080 0.000 1.201 866 N HN 0.764 nan 8.380 nan 0.000 0.511 867 A N 2.545 125.470 122.820 0.176 0.000 1.929 867 A HA 0.319 4.125 4.320 -0.856 0.000 0.216 867 A C 1.203 178.849 177.584 0.102 0.000 1.176 867 A CA 1.348 53.522 52.037 0.229 0.000 0.628 867 A CB -0.825 18.418 19.000 0.404 0.000 0.816 867 A HN 0.868 nan 8.150 nan 0.000 0.444 868 G N -0.234 108.623 108.800 0.094 0.000 2.587 868 G HA2 -0.178 3.269 3.960 -0.856 0.000 0.212 868 G HA3 -0.178 3.269 3.960 -0.856 0.000 0.212 868 G C 0.049 175.017 174.900 0.113 0.000 1.327 868 G CA 0.287 45.406 45.100 0.032 0.000 0.898 868 G HN 1.103 nan 8.290 nan 0.000 0.551 869 N N 0.189 118.908 118.700 0.032 0.000 2.370 869 N HA 0.314 4.541 4.740 -0.856 0.000 0.198 869 N C 0.558 176.112 175.510 0.074 0.000 1.156 869 N CA 1.153 54.227 53.050 0.041 0.000 0.839 869 N CB 0.070 38.489 38.487 -0.113 0.000 0.989 869 N HN 1.711 nan 8.380 nan 0.000 0.468 870 S N -1.490 114.227 115.700 0.030 0.000 2.596 870 S HA 0.492 4.448 4.470 -0.856 0.000 0.270 870 S C 0.511 174.873 174.600 -0.396 0.000 1.155 870 S CA -0.933 57.196 58.200 -0.119 0.000 0.827 870 S CB 2.053 65.225 63.200 -0.046 0.000 1.130 870 S HN -0.002 nan 8.310 nan 0.000 0.467 871 R N 0.693 120.856 120.500 -0.563 0.000 2.062 871 R HA 0.064 3.890 4.340 -0.856 0.000 0.231 871 R C 0.916 177.136 176.300 -0.134 0.000 1.136 871 R CA 1.565 57.307 56.100 -0.597 0.000 0.948 871 R CB -0.828 29.095 30.300 -0.627 0.000 0.845 871 R HN 0.910 nan 8.270 nan 0.000 0.430 872 D N -1.180 119.288 120.400 0.114 0.000 3.574 872 D HA -0.296 3.830 4.640 -0.856 0.000 0.153 872 D C 0.452 176.965 176.300 0.355 0.000 0.965 872 D CA 2.162 56.322 54.000 0.267 0.000 1.047 872 D CB -0.876 40.044 40.800 0.200 0.000 0.492 872 D HN 0.100 nan 8.370 nan 0.000 0.492 873 L N 0.002 121.406 121.223 0.302 0.000 2.607 873 L HA 0.197 4.024 4.340 -0.856 0.000 0.228 873 L C 2.199 179.124 176.870 0.091 0.000 1.123 873 L CA 0.373 55.400 54.840 0.311 0.000 0.890 873 L CB -0.031 42.282 42.059 0.423 0.000 1.103 873 L HN 0.221 nan 8.230 nan 0.000 0.468 874 S N -0.214 115.517 115.700 0.052 0.000 2.393 874 S HA -0.365 3.591 4.470 -0.856 0.000 0.234 874 S C 1.843 176.343 174.600 -0.165 0.000 1.064 874 S CA 2.263 60.395 58.200 -0.114 0.000 1.088 874 S CB -0.433 62.818 63.200 0.084 0.000 0.939 874 S HN 0.599 nan 8.310 nan 0.000 0.448 875 H N 0.826 119.790 119.070 -0.176 0.000 2.319 875 H HA -0.025 4.017 4.556 -0.856 0.000 0.299 875 H C 2.236 177.496 175.328 -0.113 0.000 1.092 875 H CA 1.857 57.801 56.048 -0.174 0.000 1.302 875 H CB -0.253 29.372 29.762 -0.228 0.000 1.373 875 H HN 0.265 nan 8.280 nan 0.000 0.497 876 S N -0.278 115.516 115.700 0.156 0.000 2.399 876 S HA -0.099 3.857 4.470 -0.856 0.000 0.231 876 S C 2.163 176.756 174.600 -0.012 0.000 1.022 876 S CA 1.159 59.494 58.200 0.225 0.000 0.983 876 S CB -0.153 63.349 63.200 0.504 0.000 0.803 876 S HN 0.373 nan 8.310 nan 0.000 0.480 877 I N 0.723 121.040 120.570 -0.421 0.000 2.179 877 I HA -0.216 3.440 4.170 -0.856 0.000 0.242 877 I C 2.471 178.436 176.117 -0.253 0.000 1.088 877 I CA 1.163 62.074 61.300 -0.648 0.000 1.357 877 I CB -0.256 37.242 38.000 -0.836 0.000 1.051 877 I HN 0.301 nan 8.210 nan 0.000 0.409 878 M N 0.876 120.331 119.600 -0.242 0.000 2.159 878 M HA -0.196 3.770 4.480 -0.856 0.000 0.263 878 M C 2.043 178.202 176.300 -0.235 0.000 1.063 878 M CA 1.782 56.961 55.300 -0.201 0.000 1.110 878 M CB -0.518 31.887 32.600 -0.325 0.000 1.374 878 M HN 0.133 nan 8.290 nan 0.000 0.411 879 E N -0.691 119.355 120.200 -0.258 0.000 2.038 879 E HA -0.285 3.552 4.350 -0.856 0.000 0.195 879 E C 2.218 178.721 176.600 -0.161 0.000 1.000 879 E CA 1.630 57.893 56.400 -0.229 0.000 0.803 879 E CB -0.459 29.237 29.700 -0.006 0.000 0.750 879 E HN 0.538 nan 8.360 nan 0.000 0.448 880 R N 0.759 121.356 120.500 0.162 0.000 2.120 880 R HA -0.125 3.702 4.340 -0.856 0.000 0.234 880 R C 2.254 178.700 176.300 0.243 0.000 1.123 880 R CA 1.149 57.481 56.100 0.387 0.000 0.975 880 R CB -0.158 30.380 30.300 0.396 0.000 0.866 880 R HN 0.149 nan 8.270 nan 0.000 0.446 881 A N 1.123 123.960 122.820 0.028 0.000 1.883 881 A HA -0.152 3.654 4.320 -0.856 0.000 0.217 881 A C 2.148 179.681 177.584 -0.086 0.000 1.186 881 A CA 1.311 53.318 52.037 -0.050 0.000 0.624 881 A CB -0.594 18.380 19.000 -0.043 0.000 0.822 881 A HN 0.360 nan 8.150 nan 0.000 0.444 882 L N -1.809 119.294 121.223 -0.200 0.000 2.191 882 L HA -0.124 3.702 4.340 -0.856 0.000 0.212 882 L C 2.217 179.087 176.870 -0.000 0.000 1.103 882 L CA 0.948 55.682 54.840 -0.177 0.000 0.769 882 L CB -0.450 41.475 42.059 -0.224 0.000 0.908 882 L HN 0.447 nan 8.230 nan 0.000 0.438 883 F N -1.494 118.465 119.950 0.016 0.000 2.604 883 F HA -0.113 3.900 4.527 -0.858 0.000 0.298 883 F C 1.955 177.682 175.800 -0.121 0.000 1.131 883 F CA 0.508 58.389 58.000 -0.199 0.000 1.457 883 F CB -0.002 38.745 39.000 -0.422 0.000 1.095 883 F HN 0.213 nan 8.300 nan 0.000 0.574 884 H N -0.401 118.844 119.070 0.292 0.000 2.923 884 H HA 0.170 4.215 4.556 -0.853 0.000 0.268 884 H C 1.813 177.195 175.328 0.091 0.000 1.148 884 H CA 0.219 56.361 56.048 0.156 0.000 1.146 884 H CB 0.041 29.785 29.762 -0.031 0.000 1.607 884 H HN 0.394 nan 8.280 nan 0.000 0.566 885 M N 0.346 120.051 119.600 0.175 0.000 2.700 885 M HA -0.020 3.946 4.480 -0.856 0.000 0.249 885 M C 0.615 176.986 176.300 0.118 0.000 1.082 885 M CA 1.254 56.647 55.300 0.154 0.000 1.077 885 M CB 0.025 32.734 32.600 0.183 0.000 1.477 885 M HN -0.087 nan 8.290 nan 0.000 0.529 886 D N -1.353 119.082 120.400 0.058 0.000 2.392 886 D HA 0.035 4.161 4.640 -0.856 0.000 0.206 886 D C 0.774 177.132 176.300 0.096 0.000 1.046 886 D CA 0.073 54.139 54.000 0.110 0.000 0.865 886 D CB -0.458 40.413 40.800 0.118 0.000 0.969 886 D HN 0.452 nan 8.370 nan 0.000 0.509 887 N N 0.445 119.165 118.700 0.034 0.000 1.150 887 N HA -0.293 3.933 4.740 -0.856 0.000 0.130 887 N C -0.386 175.050 175.510 -0.124 0.000 0.650 887 N CA 2.425 55.414 53.050 -0.102 0.000 0.910 887 N CB -1.205 37.131 38.487 -0.251 0.000 1.255 887 N HN 0.355 nan 8.380 nan 0.000 0.537 888 C N 0.361 119.323 119.300 -0.564 0.000 2.422 888 C HA 0.459 4.405 4.460 -0.856 0.000 0.301 888 C C -0.845 173.716 174.990 -0.715 0.000 1.444 888 C CA -0.521 58.322 59.018 -0.290 0.000 1.771 888 C CB -2.169 25.472 27.740 -0.166 0.000 2.834 888 C HN 0.325 nan 8.230 nan 0.000 0.545 889 Y N 0.321 120.426 120.300 -0.326 0.000 2.350 889 Y HA 0.423 4.459 4.550 -0.857 0.000 0.338 889 Y C 0.257 175.596 175.900 -0.935 0.000 0.961 889 Y CA -1.054 56.723 58.100 -0.538 0.000 1.100 889 Y CB 1.000 39.350 38.460 -0.185 0.000 1.179 889 Y HN -0.091 nan 8.280 nan 0.000 0.454 890 K N 4.211 124.090 120.400 -0.869 0.000 2.363 890 K HA 0.377 4.183 4.320 -0.856 0.000 0.289 890 K C -1.393 175.048 176.600 -0.266 0.000 1.063 890 K CA 0.432 56.323 56.287 -0.661 0.000 0.967 890 K CB -0.246 31.984 32.500 -0.450 0.000 0.987 890 K HN 0.679 nan 8.250 nan 0.000 0.473 891 I N 8.470 128.942 120.570 -0.164 0.000 2.466 891 I HA 0.231 3.887 4.170 -0.856 0.000 0.279 891 I C -1.730 174.335 176.117 -0.087 0.000 1.033 891 I CA -2.174 59.060 61.300 -0.111 0.000 1.123 891 I CB 2.003 39.947 38.000 -0.094 0.000 1.237 891 I HN 0.577 nan 8.210 nan 0.000 0.460 892 P HA -0.068 nan 4.420 nan 0.000 0.218 892 P C -0.332 176.918 177.300 -0.083 0.000 1.148 892 P CA 1.321 64.373 63.100 -0.080 0.000 0.822 892 P CB 0.181 31.828 31.700 -0.089 0.000 0.784 893 N N -0.206 118.419 118.700 -0.125 0.000 2.480 893 N HA 0.419 4.646 4.740 -0.856 0.000 0.289 893 N C -1.100 174.309 175.510 -0.168 0.000 1.073 893 N CA -0.291 52.670 53.050 -0.147 0.000 0.885 893 N CB 2.272 40.630 38.487 -0.214 0.000 1.421 893 N HN -0.027 nan 8.380 nan 0.000 0.503 894 I N 1.056 121.571 120.570 -0.091 0.000 2.680 894 I HA 0.364 4.021 4.170 -0.856 0.000 0.291 894 I C -1.549 174.574 176.117 0.010 0.000 1.244 894 I CA -0.548 60.717 61.300 -0.058 0.000 1.042 894 I CB 2.288 40.271 38.000 -0.030 0.000 1.277 894 I HN 0.363 nan 8.210 nan 0.000 0.423 895 R N 5.272 125.785 120.500 0.022 0.000 2.510 895 R HA 0.645 4.471 4.340 -0.856 0.000 0.294 895 R C -1.448 174.903 176.300 0.085 0.000 1.056 895 R CA -0.565 55.575 56.100 0.066 0.000 0.918 895 R CB 1.959 32.299 30.300 0.067 0.000 1.187 895 R HN 0.776 nan 8.270 nan 0.000 0.437 896 G N 2.272 111.145 108.800 0.121 0.000 2.626 896 G HA2 0.410 3.856 3.960 -0.856 0.000 0.304 896 G HA3 0.410 3.856 3.960 -0.856 0.000 0.304 896 G C -0.538 174.452 174.900 0.151 0.000 1.385 896 G CA -0.372 44.831 45.100 0.173 0.000 0.957 896 G HN 0.553 nan 8.290 nan 0.000 0.504 897 T N -0.427 114.208 114.554 0.134 0.000 2.942 897 T HA 0.865 4.701 4.350 -0.856 0.000 0.289 897 T C 0.085 174.799 174.700 0.022 0.000 1.044 897 T CA -0.605 61.517 62.100 0.038 0.000 1.023 897 T CB 2.401 71.243 68.868 -0.044 0.000 1.123 897 T HN 1.168 nan 8.240 nan 0.000 0.512 898 G N 0.610 109.330 108.800 -0.133 0.000 2.731 898 G HA2 0.602 4.048 3.960 -0.856 0.000 0.298 898 G HA3 0.602 4.048 3.960 -0.856 0.000 0.298 898 G C -1.614 173.089 174.900 -0.327 0.000 1.424 898 G CA -0.909 44.057 45.100 -0.224 0.000 1.029 898 G HN 0.717 nan 8.290 nan 0.000 0.518 899 R N 1.068 121.328 120.500 -0.400 0.000 2.628 899 R HA 0.614 4.441 4.340 -0.856 0.000 0.288 899 R C -1.006 175.230 176.300 -0.107 0.000 0.980 899 R CA -0.873 55.021 56.100 -0.344 0.000 0.891 899 R CB 1.544 31.521 30.300 -0.538 0.000 1.188 899 R HN 0.419 nan 8.270 nan 0.000 0.450 900 L N 3.893 125.132 121.223 0.026 0.000 2.262 900 L HA 0.473 4.299 4.340 -0.856 0.000 0.288 900 L C -0.460 176.608 176.870 0.330 0.000 1.035 900 L CA -0.868 54.066 54.840 0.156 0.000 0.820 900 L CB 1.406 43.574 42.059 0.181 0.000 1.204 900 L HN 0.563 nan 8.230 nan 0.000 0.424 901 C N 2.957 122.427 119.300 0.283 0.000 2.499 901 C HA 0.159 4.105 4.460 -0.856 0.000 0.386 901 C C 0.793 175.771 174.990 -0.020 0.000 1.293 901 C CA -0.795 58.315 59.018 0.154 0.000 1.884 901 C CB 0.105 27.904 27.740 0.099 0.000 2.509 901 C HN 0.675 nan 8.230 nan 0.000 0.566 902 K N 3.373 123.590 120.400 -0.305 0.000 2.263 902 K HA 0.414 4.221 4.320 -0.856 0.000 0.282 902 K C 0.064 176.494 176.600 -0.282 0.000 1.089 902 K CA 0.208 56.168 56.287 -0.545 0.000 0.907 902 K CB 0.401 32.308 32.500 -0.988 0.000 1.148 902 K HN 0.931 nan 8.250 nan 0.000 0.470 903 T N 0.299 114.771 114.554 -0.137 0.000 2.896 903 T HA 0.304 4.141 4.350 -0.856 0.000 0.297 903 T C -0.254 174.371 174.700 -0.124 0.000 1.108 903 T CA -1.108 60.913 62.100 -0.131 0.000 1.004 903 T CB 1.121 69.926 68.868 -0.106 0.000 1.159 903 T HN 0.448 nan 8.240 nan 0.000 0.499 904 N N 1.963 120.575 118.700 -0.146 0.000 3.178 904 N HA 0.352 4.579 4.740 -0.856 0.000 0.300 904 N C -0.903 174.530 175.510 -0.129 0.000 1.242 904 N CA 0.025 52.985 53.050 -0.150 0.000 1.192 904 N CB -0.449 37.950 38.487 -0.147 0.000 1.463 904 N HN 0.516 nan 8.380 nan 0.000 0.539 905 L N -0.256 120.894 121.223 -0.122 0.000 2.465 905 L HA 0.276 4.103 4.340 -0.856 0.000 0.257 905 L C 0.208 177.030 176.870 -0.079 0.000 0.988 905 L CA -0.843 53.921 54.840 -0.127 0.000 0.827 905 L CB 1.982 43.924 42.059 -0.194 0.000 1.397 905 L HN 0.015 nan 8.230 nan 0.000 0.410 906 S N 0.856 116.533 115.700 -0.038 0.000 2.599 906 S HA -0.068 3.889 4.470 -0.856 0.000 0.303 906 S C 0.286 174.878 174.600 -0.014 0.000 1.267 906 S CA 0.130 58.324 58.200 -0.009 0.000 1.055 906 S CB 0.504 63.732 63.200 0.047 0.000 0.790 906 S HN 0.548 nan 8.310 nan 0.000 0.500 907 S N 3.390 119.085 115.700 -0.009 0.000 2.515 907 S HA 0.054 4.010 4.470 -0.856 0.000 0.285 907 S C 0.279 174.890 174.600 0.018 0.000 1.265 907 S CA -0.635 57.569 58.200 0.007 0.000 1.079 907 S CB -0.245 62.968 63.200 0.021 0.000 0.877 907 S HN 0.606 nan 8.310 nan 0.000 0.493 908 N N 3.005 121.660 118.700 -0.074 0.000 2.503 908 N HA 0.347 4.574 4.740 -0.856 0.000 0.267 908 N C 0.243 175.782 175.510 0.048 0.000 1.214 908 N CA 0.036 52.969 53.050 -0.196 0.000 0.959 908 N CB 1.543 39.585 38.487 -0.741 0.000 1.142 908 N HN 0.678 nan 8.380 nan 0.000 0.455 909 T N -1.079 113.629 114.554 0.257 0.000 2.590 909 T HA 0.645 4.481 4.350 -0.856 0.000 0.282 909 T C -1.254 173.763 174.700 0.528 0.000 0.989 909 T CA -0.516 61.842 62.100 0.429 0.000 1.091 909 T CB 0.461 69.541 68.868 0.354 0.000 1.460 909 T HN 0.452 nan 8.240 nan 0.000 0.499 910 A N 1.127 124.273 122.820 0.544 0.000 2.440 910 A HA 0.637 4.444 4.320 -0.856 0.000 0.251 910 A C -0.879 177.140 177.584 0.725 0.000 1.089 910 A CA -0.122 52.316 52.037 0.669 0.000 0.779 910 A CB -0.585 18.842 19.000 0.711 0.000 1.022 910 A HN 0.691 nan 8.150 nan 0.000 0.492 911 F N 2.226 122.465 119.950 0.483 0.000 2.585 911 F HA 0.417 4.402 4.527 -0.904 0.000 0.319 911 F C 0.625 176.610 175.800 0.308 0.000 1.165 911 F CA -1.085 57.143 58.000 0.380 0.000 0.949 911 F CB 1.192 40.265 39.000 0.121 0.000 1.218 911 F HN 0.772 nan 8.300 nan 0.000 0.453 912 R N 4.140 125.094 120.500 0.756 0.000 4.489 912 R HA -0.138 3.688 4.340 -0.856 0.000 0.116 912 R C 0.876 177.372 176.300 0.328 0.000 0.264 912 R CA 1.847 58.237 56.100 0.484 0.000 0.826 912 R CB -0.827 29.776 30.300 0.504 0.000 1.062 912 R HN 1.144 nan 8.270 nan 0.000 0.237 913 G N 3.114 112.097 108.800 0.305 0.000 2.481 913 G HA2 -0.287 3.159 3.960 -0.856 0.000 0.200 913 G HA3 -0.287 3.159 3.960 -0.856 0.000 0.200 913 G C 0.206 175.387 174.900 0.468 0.000 1.012 913 G CA -0.144 45.155 45.100 0.331 0.000 0.676 913 G HN 0.711 nan 8.290 nan 0.000 0.488 914 F N 0.735 120.810 119.950 0.208 0.000 2.969 914 F HA 0.062 4.072 4.527 -0.861 0.000 0.273 914 F C 1.777 177.627 175.800 0.083 0.000 0.986 914 F CA 2.570 60.678 58.000 0.179 0.000 0.926 914 F CB -1.007 38.109 39.000 0.194 0.000 0.887 914 F HN 2.029 nan 8.300 nan 0.000 0.816 915 G N -0.482 108.302 108.800 -0.027 0.000 2.268 915 G HA2 -0.278 3.168 3.960 -0.856 0.000 0.240 915 G HA3 -0.278 3.168 3.960 -0.856 0.000 0.240 915 G C 1.626 176.409 174.900 -0.195 0.000 1.010 915 G CA 0.814 45.805 45.100 -0.181 0.000 0.618 915 G HN 1.563 nan 8.290 nan 0.000 0.516 916 G N 1.937 110.675 108.800 -0.102 0.000 2.514 916 G HA2 0.009 3.455 3.960 -0.856 0.000 0.217 916 G HA3 0.009 3.455 3.960 -0.856 0.000 0.217 916 G C 0.130 174.947 174.900 -0.138 0.000 1.198 916 G CA 2.082 47.057 45.100 -0.207 0.000 0.780 916 G HN 0.542 nan 8.290 nan 0.000 0.565 917 P HA -0.164 nan 4.420 nan 0.000 0.216 917 P C 1.835 179.172 177.300 0.062 0.000 1.157 917 P CA 1.762 64.940 63.100 0.131 0.000 0.880 917 P CB -0.077 31.688 31.700 0.108 0.000 0.791 918 Q N -0.901 118.795 119.800 -0.174 0.000 2.079 918 Q HA -0.048 3.779 4.340 -0.856 0.000 0.200 918 Q C 2.272 178.181 176.000 -0.152 0.000 0.974 918 Q CA 1.901 57.533 55.803 -0.284 0.000 0.840 918 Q CB -1.266 26.865 28.738 -1.012 0.000 0.898 918 Q HN 0.188 nan 8.270 nan 0.000 0.430 919 A N 0.169 122.867 122.820 -0.204 0.000 1.968 919 A HA -0.071 3.735 4.320 -0.856 0.000 0.217 919 A C 1.995 179.558 177.584 -0.034 0.000 1.169 919 A CA 0.905 52.942 52.037 -0.001 0.000 0.638 919 A CB -0.530 18.471 19.000 0.001 0.000 0.812 919 A HN 0.319 nan 8.150 nan 0.000 0.446 920 L N -2.053 119.028 121.223 -0.238 0.000 2.109 920 L HA -0.087 3.740 4.340 -0.856 0.000 0.207 920 L C 2.425 179.067 176.870 -0.380 0.000 1.086 920 L CA 1.324 55.813 54.840 -0.584 0.000 0.760 920 L CB -0.486 40.717 42.059 -1.428 0.000 0.910 920 L HN 0.522 nan 8.230 nan 0.000 0.437 921 F N 0.818 120.683 119.950 -0.142 0.000 2.146 921 F HA -0.160 3.860 4.527 -0.845 0.000 0.298 921 F C 2.207 177.991 175.800 -0.027 0.000 1.096 921 F CA 1.262 59.348 58.000 0.143 0.000 1.275 921 F CB -0.146 38.933 39.000 0.132 0.000 1.008 921 F HN -0.127 nan 8.300 nan 0.000 0.480 922 I N 0.597 121.094 120.570 -0.122 0.000 2.163 922 I HA -0.357 3.300 4.170 -0.856 0.000 0.243 922 I C 2.763 178.620 176.117 -0.434 0.000 1.085 922 I CA 1.438 62.600 61.300 -0.229 0.000 1.347 922 I CB -0.994 37.042 38.000 0.061 0.000 1.044 922 I HN 0.270 nan 8.210 nan 0.000 0.408 923 A N 0.185 122.784 122.820 -0.369 0.000 1.883 923 A HA -0.225 3.581 4.320 -0.856 0.000 0.217 923 A C 2.201 179.022 177.584 -1.272 0.000 1.186 923 A CA 1.713 53.263 52.037 -0.812 0.000 0.624 923 A CB -0.497 18.340 19.000 -0.273 0.000 0.822 923 A HN 0.359 nan 8.150 nan 0.000 0.444 924 E N -0.359 119.444 120.200 -0.661 0.000 2.347 924 E HA -0.137 3.700 4.350 -0.856 0.000 0.196 924 E C 1.669 177.819 176.600 -0.750 0.000 1.008 924 E CA 0.955 56.942 56.400 -0.688 0.000 0.852 924 E CB -0.429 28.957 29.700 -0.523 0.000 0.783 924 E HN 0.728 nan 8.360 nan 0.000 0.505 925 N N 0.810 119.142 118.700 -0.615 0.000 2.135 925 N HA -0.130 4.096 4.740 -0.856 0.000 0.186 925 N C 1.857 177.133 175.510 -0.391 0.000 1.027 925 N CA 1.677 54.485 53.050 -0.404 0.000 0.849 925 N CB -0.181 37.975 38.487 -0.552 0.000 1.002 925 N HN 0.336 nan 8.380 nan 0.000 0.425 926 W N -0.805 120.245 121.300 -0.416 0.000 2.467 926 W HA 0.033 4.181 4.660 -0.854 0.000 0.275 926 W C 1.587 177.935 176.519 -0.285 0.000 1.239 926 W CA 0.017 57.155 57.345 -0.345 0.000 1.266 926 W CB -0.806 28.448 29.460 -0.343 0.000 1.112 926 W HN 0.121 nan 8.180 nan 0.000 0.576 927 M N 3.373 122.667 119.600 -0.509 0.000 2.159 927 M HA -0.186 3.780 4.480 -0.856 0.000 0.263 927 M C 2.457 178.565 176.300 -0.320 0.000 1.063 927 M CA 2.712 57.732 55.300 -0.467 0.000 1.110 927 M CB -0.849 31.235 32.600 -0.860 0.000 1.374 927 M HN 0.061 nan 8.290 nan 0.000 0.411 928 S N -0.919 114.593 115.700 -0.314 0.000 2.428 928 S HA -0.102 3.854 4.470 -0.856 0.000 0.230 928 S C 1.699 176.246 174.600 -0.088 0.000 1.014 928 S CA 1.253 59.346 58.200 -0.178 0.000 0.957 928 S CB -0.740 62.407 63.200 -0.089 0.000 0.784 928 S HN 0.695 nan 8.310 nan 0.000 0.499 929 E N 0.965 121.119 120.200 -0.076 0.000 2.112 929 E HA -0.001 3.835 4.350 -0.856 0.000 0.190 929 E C 2.139 178.679 176.600 -0.101 0.000 0.979 929 E CA 0.887 57.270 56.400 -0.027 0.000 0.814 929 E CB -0.375 29.357 29.700 0.053 0.000 0.762 929 E HN 0.353 nan 8.360 nan 0.000 0.460 930 V N 1.931 121.688 119.914 -0.262 0.000 2.250 930 V HA -0.348 3.259 4.120 -0.856 0.000 0.250 930 V C 2.420 178.358 176.094 -0.259 0.000 1.060 930 V CA 2.211 64.143 62.300 -0.613 0.000 1.030 930 V CB -0.766 30.671 31.823 -0.643 0.000 0.643 930 V HN 0.347 nan 8.190 nan 0.000 0.445 931 A N -0.828 121.904 122.820 -0.146 0.000 1.930 931 A HA -0.121 3.685 4.320 -0.856 0.000 0.217 931 A C 2.349 179.944 177.584 0.018 0.000 1.175 931 A CA 1.902 53.912 52.037 -0.044 0.000 0.627 931 A CB -0.530 18.447 19.000 -0.039 0.000 0.815 931 A HN 0.354 nan 8.150 nan 0.000 0.443 932 V N -0.520 119.406 119.914 0.021 0.000 2.270 932 V HA -0.198 3.408 4.120 -0.856 0.000 0.245 932 V C 2.716 178.864 176.094 0.091 0.000 1.043 932 V CA 2.422 64.758 62.300 0.061 0.000 1.014 932 V CB -1.254 30.609 31.823 0.065 0.000 0.645 932 V HN 0.567 nan 8.190 nan 0.000 0.447 933 T N -1.146 113.474 114.554 0.111 0.000 2.803 933 T HA -0.229 3.608 4.350 -0.856 0.000 0.269 933 T C 1.652 176.478 174.700 0.210 0.000 1.052 933 T CA 1.902 64.118 62.100 0.193 0.000 1.136 933 T CB -0.456 68.609 68.868 0.327 0.000 0.864 933 T HN 0.530 nan 8.240 nan 0.000 0.467 934 C N 1.154 120.575 119.300 0.203 0.000 2.626 934 C HA 0.433 4.380 4.460 -0.856 0.000 0.266 934 C C 2.095 177.153 174.990 0.114 0.000 1.317 934 C CA -0.605 58.521 59.018 0.180 0.000 1.716 934 C CB -1.522 26.328 27.740 0.184 0.000 1.819 934 C HN 0.782 nan 8.230 nan 0.000 0.578 935 G N 1.418 110.277 108.800 0.099 0.000 2.379 935 G HA2 -0.272 3.175 3.960 -0.856 0.000 0.297 935 G HA3 -0.272 3.175 3.960 -0.856 0.000 0.297 935 G C -0.112 174.834 174.900 0.075 0.000 1.004 935 G CA 0.423 45.571 45.100 0.079 0.000 0.921 935 G HN 0.585 nan 8.290 nan 0.000 0.511 936 L N -0.582 120.688 121.223 0.077 0.000 2.332 936 L HA 0.599 4.425 4.340 -0.856 0.000 0.269 936 L C -1.805 175.115 176.870 0.083 0.000 1.016 936 L CA -2.700 52.188 54.840 0.079 0.000 0.809 936 L CB 1.323 43.430 42.059 0.081 0.000 1.280 936 L HN -0.136 nan 8.230 nan 0.000 0.447 937 P HA 0.111 nan 4.420 nan 0.000 0.271 937 P C -0.114 177.260 177.300 0.124 0.000 1.218 937 P CA -0.263 62.910 63.100 0.123 0.000 0.780 937 P CB 0.947 32.745 31.700 0.163 0.000 0.901 938 A N 2.691 125.584 122.820 0.123 0.000 1.898 938 A HA -0.201 3.605 4.320 -0.856 0.000 0.216 938 A C 1.739 179.416 177.584 0.154 0.000 1.181 938 A CA 1.618 53.712 52.037 0.095 0.000 0.620 938 A CB -1.103 17.941 19.000 0.074 0.000 0.819 938 A HN 0.613 nan 8.150 nan 0.000 0.442 939 E N 0.288 120.619 120.200 0.219 0.000 2.110 939 E HA -0.191 3.645 4.350 -0.856 0.000 0.193 939 E C 1.835 178.673 176.600 0.396 0.000 0.988 939 E CA 1.291 57.907 56.400 0.359 0.000 0.804 939 E CB -0.346 29.443 29.700 0.148 0.000 0.745 939 E HN 0.807 nan 8.360 nan 0.000 0.458 940 E N 0.787 121.154 120.200 0.278 0.000 2.051 940 E HA -0.173 3.663 4.350 -0.856 0.000 0.192 940 E C 1.982 178.706 176.600 0.206 0.000 0.991 940 E CA 1.382 57.932 56.400 0.250 0.000 0.799 940 E CB 0.124 29.935 29.700 0.185 0.000 0.748 940 E HN 0.165 nan 8.360 nan 0.000 0.449 941 V N 0.929 120.917 119.914 0.124 0.000 2.358 941 V HA -0.219 3.387 4.120 -0.856 0.000 0.246 941 V C 2.460 178.528 176.094 -0.043 0.000 1.047 941 V CA 1.856 64.173 62.300 0.028 0.000 1.035 941 V CB -0.513 31.295 31.823 -0.024 0.000 0.658 941 V HN 0.227 nan 8.190 nan 0.000 0.452 942 R N -0.990 119.502 120.500 -0.014 0.000 2.080 942 R HA -0.218 3.608 4.340 -0.856 0.000 0.236 942 R C 2.271 178.519 176.300 -0.087 0.000 1.137 942 R CA 2.245 58.282 56.100 -0.104 0.000 0.943 942 R CB -0.470 29.857 30.300 0.045 0.000 0.846 942 R HN 0.691 nan 8.270 nan 0.000 0.431 943 W N 2.096 123.245 121.300 -0.251 0.000 2.315 943 W HA -0.277 3.869 4.660 -0.857 0.000 0.323 943 W C 1.526 177.959 176.519 -0.143 0.000 1.233 943 W CA 1.580 58.752 57.345 -0.289 0.000 1.267 943 W CB -0.249 29.145 29.460 -0.110 0.000 1.160 943 W HN 0.077 nan 8.180 nan 0.000 0.474 944 K N -0.269 120.133 120.400 0.002 0.000 2.189 944 K HA -0.235 3.571 4.320 -0.856 0.000 0.207 944 K C 1.355 177.841 176.600 -0.189 0.000 1.046 944 K CA 1.748 57.981 56.287 -0.089 0.000 0.928 944 K CB -0.397 32.104 32.500 0.002 0.000 0.720 944 K HN 0.212 nan 8.250 nan 0.000 0.458 945 N N -0.020 118.571 118.700 -0.183 0.000 2.280 945 N HA 0.040 4.266 4.740 -0.856 0.000 0.192 945 N C 0.177 175.608 175.510 -0.132 0.000 1.109 945 N CA 0.062 53.014 53.050 -0.163 0.000 0.855 945 N CB 0.372 38.726 38.487 -0.222 0.000 0.974 945 N HN 0.203 nan 8.380 nan 0.000 0.482 946 M N 0.539 120.000 119.600 -0.232 0.000 2.242 946 M HA 0.116 4.083 4.480 -0.856 0.000 0.344 946 M C -0.298 175.814 176.300 -0.313 0.000 1.140 946 M CA -0.343 54.810 55.300 -0.246 0.000 1.160 946 M CB 0.810 33.160 32.600 -0.416 0.000 1.491 946 M HN 0.013 nan 8.290 nan 0.000 0.459 947 Y N 3.048 123.161 120.300 -0.312 0.000 2.550 947 Y HA 0.022 4.057 4.550 -0.857 0.000 0.343 947 Y C 0.432 175.968 175.900 -0.607 0.000 1.245 947 Y CA 0.198 57.947 58.100 -0.586 0.000 1.462 947 Y CB 0.526 38.324 38.460 -1.103 0.000 1.340 947 Y HN 0.406 nan 8.280 nan 0.000 0.604 948 K N 1.690 121.900 120.400 -0.317 0.000 2.156 948 K HA 0.169 3.975 4.320 -0.856 0.000 0.250 948 K C -0.736 175.668 176.600 -0.327 0.000 0.955 948 K CA -1.196 54.939 56.287 -0.254 0.000 0.855 948 K CB 1.574 33.976 32.500 -0.165 0.000 1.101 948 K HN 0.564 nan 8.250 nan 0.000 0.434 949 E N 0.247 120.358 120.200 -0.147 0.000 2.820 949 E HA -0.053 3.783 4.350 -0.856 0.000 0.251 949 E C 0.840 177.355 176.600 -0.142 0.000 0.944 949 E CA 1.939 58.279 56.400 -0.100 0.000 0.955 949 E CB -0.392 29.301 29.700 -0.012 0.000 0.904 949 E HN 0.765 nan 8.360 nan 0.000 0.513 950 G N 3.665 112.364 108.800 -0.168 0.000 2.176 950 G HA2 -0.270 3.176 3.960 -0.856 0.000 0.253 950 G HA3 -0.270 3.176 3.960 -0.856 0.000 0.253 950 G C -0.102 174.692 174.900 -0.176 0.000 0.979 950 G CA 0.054 45.070 45.100 -0.141 0.000 0.641 950 G HN 0.631 nan 8.290 nan 0.000 0.530 951 D N 0.419 120.674 120.400 -0.243 0.000 2.400 951 D HA 0.456 4.583 4.640 -0.856 0.000 0.238 951 D C 1.202 177.324 176.300 -0.295 0.000 1.157 951 D CA 0.145 54.016 54.000 -0.214 0.000 0.889 951 D CB 0.578 41.309 40.800 -0.116 0.000 1.199 951 D HN 0.353 nan 8.370 nan 0.000 0.436 952 L N 1.089 122.188 121.223 -0.206 0.000 2.325 952 L HA 0.296 4.122 4.340 -0.856 0.000 0.279 952 L C 1.167 177.866 176.870 -0.285 0.000 1.054 952 L CA -0.868 53.818 54.840 -0.258 0.000 0.804 952 L CB 1.158 43.120 42.059 -0.162 0.000 1.200 952 L HN 0.423 nan 8.230 nan 0.000 0.436 953 T N -2.631 111.602 114.554 -0.536 0.000 2.856 953 T HA -0.016 3.820 4.350 -0.856 0.000 0.306 953 T C 1.490 175.966 174.700 -0.374 0.000 1.062 953 T CA -0.275 61.477 62.100 -0.579 0.000 1.083 953 T CB 0.492 68.475 68.868 -1.475 0.000 0.984 953 T HN 0.772 nan 8.240 nan 0.000 0.542 954 H N 1.004 119.990 119.070 -0.140 0.000 2.520 954 H HA -0.130 3.912 4.556 -0.857 0.000 0.295 954 H C 0.949 176.321 175.328 0.072 0.000 1.096 954 H CA 1.452 57.504 56.048 0.007 0.000 1.249 954 H CB -0.810 29.018 29.762 0.109 0.000 1.365 954 H HN 0.832 nan 8.280 nan 0.000 0.556 955 F N -0.146 119.558 119.950 -0.409 0.000 2.684 955 F HA 0.420 4.433 4.527 -0.856 0.000 0.298 955 F C 0.041 175.828 175.800 -0.022 0.000 1.120 955 F CA -1.056 56.814 58.000 -0.217 0.000 1.332 955 F CB -0.156 38.569 39.000 -0.458 0.000 0.986 955 F HN -0.163 nan 8.300 nan 0.000 0.524 956 N N 1.647 120.231 118.700 -0.194 0.000 2.754 956 N HA -0.258 3.968 4.740 -0.856 0.000 0.248 956 N C -0.351 175.101 175.510 -0.097 0.000 1.093 956 N CA 1.012 54.004 53.050 -0.098 0.000 0.699 956 N CB -1.108 37.394 38.487 0.026 0.000 1.016 956 N HN 0.803 nan 8.380 nan 0.000 0.552 957 Q N 0.291 119.931 119.800 -0.266 0.000 2.312 957 Q HA 0.398 4.224 4.340 -0.856 0.000 0.263 957 Q C 0.018 175.900 176.000 -0.196 0.000 0.995 957 Q CA -0.831 54.895 55.803 -0.128 0.000 0.853 957 Q CB 1.492 30.268 28.738 0.063 0.000 1.300 957 Q HN 0.288 nan 8.270 nan 0.000 0.448 958 R N 3.405 123.852 120.500 -0.088 0.000 2.537 958 R HA 0.189 4.015 4.340 -0.856 0.000 0.280 958 R C -1.042 175.204 176.300 -0.090 0.000 1.058 958 R CA 0.051 56.087 56.100 -0.107 0.000 1.057 958 R CB 0.337 30.610 30.300 -0.045 0.000 0.973 958 R HN 0.607 nan 8.270 nan 0.000 0.438 959 L N 5.309 126.405 121.223 -0.211 0.000 2.288 959 L HA 0.280 4.106 4.340 -0.856 0.000 0.283 959 L C -0.217 176.639 176.870 -0.024 0.000 1.072 959 L CA -0.119 54.612 54.840 -0.182 0.000 0.862 959 L CB 0.980 42.721 42.059 -0.529 0.000 1.245 959 L HN 0.666 nan 8.230 nan 0.000 0.432 960 E N 2.242 122.509 120.200 0.112 0.000 2.191 960 E HA 0.423 4.260 4.350 -0.856 0.000 0.278 960 E C 0.667 177.375 176.600 0.179 0.000 0.972 960 E CA -0.509 55.956 56.400 0.107 0.000 0.804 960 E CB 1.749 31.499 29.700 0.084 0.000 1.110 960 E HN 0.696 nan 8.360 nan 0.000 0.394 961 G N 2.874 111.750 108.800 0.127 0.000 2.295 961 G HA2 -0.316 3.130 3.960 -0.856 0.000 0.287 961 G HA3 -0.316 3.130 3.960 -0.856 0.000 0.287 961 G C -0.277 174.699 174.900 0.127 0.000 1.055 961 G CA -0.079 45.097 45.100 0.126 0.000 0.922 961 G HN 0.514 nan 8.290 nan 0.000 0.503 962 F N 2.324 122.185 119.950 -0.149 0.000 2.502 962 F HA 0.416 4.429 4.527 -0.856 0.000 0.361 962 F C 1.462 176.968 175.800 -0.491 0.000 1.157 962 F CA -0.040 57.654 58.000 -0.511 0.000 1.096 962 F CB 0.462 39.236 39.000 -0.376 0.000 1.141 962 F HN 0.294 nan 8.300 nan 0.000 0.579 963 S N 2.932 118.084 115.700 -0.915 0.000 2.572 963 S HA 0.062 4.018 4.470 -0.856 0.000 0.228 963 S C 1.450 175.756 174.600 -0.490 0.000 0.963 963 S CA 0.140 58.063 58.200 -0.460 0.000 0.939 963 S CB -0.345 62.764 63.200 -0.152 0.000 0.804 963 S HN 0.397 nan 8.310 nan 0.000 0.480 964 V N 2.842 122.181 119.914 -0.958 0.000 2.287 964 V HA -0.064 3.542 4.120 -0.856 0.000 0.248 964 V C -0.429 175.589 176.094 -0.127 0.000 1.053 964 V CA 1.822 63.787 62.300 -0.558 0.000 1.027 964 V CB -1.693 29.648 31.823 -0.802 0.000 0.646 964 V HN 0.395 nan 8.190 nan 0.000 0.447 965 P HA -0.160 nan 4.420 nan 0.000 0.216 965 P C 1.728 179.177 177.300 0.247 0.000 1.153 965 P CA 1.497 64.765 63.100 0.281 0.000 0.858 965 P CB -0.132 31.735 31.700 0.278 0.000 0.789 966 R N -1.019 119.539 120.500 0.097 0.000 2.073 966 R HA -0.119 3.707 4.340 -0.856 0.000 0.234 966 R C 2.380 178.731 176.300 0.086 0.000 1.134 966 R CA 1.729 57.877 56.100 0.079 0.000 0.952 966 R CB -1.330 28.987 30.300 0.029 0.000 0.850 966 R HN 0.239 nan 8.270 nan 0.000 0.433 967 C N -0.330 119.014 119.300 0.072 0.000 2.413 967 C HA -0.163 3.783 4.460 -0.856 0.000 0.276 967 C C 2.432 177.504 174.990 0.137 0.000 1.236 967 C CA 0.235 59.304 59.018 0.085 0.000 1.735 967 C CB -1.131 26.657 27.740 0.080 0.000 2.031 967 C HN 0.669 nan 8.230 nan 0.000 0.474 968 W N 1.947 123.250 121.300 0.005 0.000 2.354 968 W HA -0.131 4.014 4.660 -0.857 0.000 0.315 968 W C 2.040 178.527 176.519 -0.052 0.000 1.206 968 W CA 1.830 59.180 57.345 0.008 0.000 1.290 968 W CB -0.626 28.915 29.460 0.134 0.000 1.152 968 W HN 0.439 nan 8.180 nan 0.000 0.489 969 D N -0.021 120.473 120.400 0.157 0.000 2.097 969 D HA -0.226 3.901 4.640 -0.856 0.000 0.195 969 D C 1.929 178.198 176.300 -0.051 0.000 0.989 969 D CA 1.631 55.629 54.000 -0.003 0.000 0.827 969 D CB -0.512 40.312 40.800 0.040 0.000 0.966 969 D HN 0.369 nan 8.370 nan 0.000 0.456 970 E N 0.135 120.329 120.200 -0.011 0.000 2.110 970 E HA -0.158 3.678 4.350 -0.856 0.000 0.193 970 E C 2.212 178.776 176.600 -0.059 0.000 0.988 970 E CA 0.493 56.880 56.400 -0.022 0.000 0.804 970 E CB 0.006 29.706 29.700 0.001 0.000 0.745 970 E HN 0.173 nan 8.360 nan 0.000 0.458 971 C N 0.284 119.530 119.300 -0.090 0.000 2.453 971 C HA -0.075 3.871 4.460 -0.856 0.000 0.277 971 C C 2.624 177.490 174.990 -0.207 0.000 1.262 971 C CA 0.533 59.467 59.018 -0.141 0.000 1.718 971 C CB -1.087 26.555 27.740 -0.164 0.000 2.031 971 C HN 0.429 nan 8.230 nan 0.000 0.480 972 L N 0.641 121.670 121.223 -0.323 0.000 2.081 972 L HA -0.198 3.628 4.340 -0.856 0.000 0.212 972 L C 2.793 179.593 176.870 -0.116 0.000 1.080 972 L CA 1.927 56.572 54.840 -0.325 0.000 0.754 972 L CB -0.654 41.160 42.059 -0.407 0.000 0.893 972 L HN 0.407 nan 8.230 nan 0.000 0.433 973 K N -0.241 120.112 120.400 -0.077 0.000 2.005 973 K HA -0.122 3.684 4.320 -0.856 0.000 0.206 973 K C 2.338 178.926 176.600 -0.021 0.000 1.044 973 K CA 1.581 57.856 56.287 -0.021 0.000 0.942 973 K CB -0.023 32.467 32.500 -0.017 0.000 0.727 973 K HN 0.334 nan 8.250 nan 0.000 0.439 974 S N 0.198 115.878 115.700 -0.034 0.000 2.481 974 S HA -0.092 3.864 4.470 -0.856 0.000 0.231 974 S C 1.850 176.432 174.600 -0.030 0.000 0.996 974 S CA 1.286 59.469 58.200 -0.028 0.000 0.942 974 S CB -0.126 63.056 63.200 -0.029 0.000 0.768 974 S HN 0.326 nan 8.310 nan 0.000 0.520 975 S N 0.667 116.342 115.700 -0.041 0.000 2.558 975 S HA 0.105 4.062 4.470 -0.856 0.000 0.217 975 S C 0.646 175.234 174.600 -0.019 0.000 0.975 975 S CA 0.073 58.253 58.200 -0.033 0.000 0.912 975 S CB -0.775 62.400 63.200 -0.042 0.000 0.776 975 S HN 0.548 nan 8.310 nan 0.000 0.526 976 Q N -0.426 119.370 119.800 -0.007 0.000 2.451 976 Q HA -0.270 3.556 4.340 -0.856 0.000 0.305 976 Q C 0.133 176.126 176.000 -0.012 0.000 1.345 976 Q CA 0.712 56.519 55.803 0.006 0.000 0.854 976 Q CB -2.219 26.515 28.738 -0.007 0.000 1.162 976 Q HN 0.842 nan 8.270 nan 0.000 0.440 977 Y N -0.671 119.515 120.300 -0.190 0.000 2.181 977 Y HA -0.287 3.748 4.550 -0.857 0.000 0.288 977 Y C 1.550 177.265 175.900 -0.309 0.000 1.146 977 Y CA 2.367 60.279 58.100 -0.313 0.000 1.164 977 Y CB -0.122 38.022 38.460 -0.525 0.000 0.982 977 Y HN 0.406 nan 8.280 nan 0.000 0.515 978 Y N -0.728 119.600 120.300 0.046 0.000 2.314 978 Y HA -0.110 3.928 4.550 -0.854 0.000 0.293 978 Y C 2.544 178.382 175.900 -0.102 0.000 1.129 978 Y CA 0.832 58.913 58.100 -0.032 0.000 1.201 978 Y CB -0.558 37.931 38.460 0.047 0.000 0.999 978 Y HN 0.234 nan 8.280 nan 0.000 0.541 979 A N 0.305 123.151 122.820 0.044 0.000 1.929 979 A HA -0.101 3.705 4.320 -0.856 0.000 0.216 979 A C 2.179 179.724 177.584 -0.065 0.000 1.176 979 A CA 1.036 53.072 52.037 -0.001 0.000 0.628 979 A CB -0.307 18.698 19.000 0.008 0.000 0.816 979 A HN 0.320 nan 8.150 nan 0.000 0.444 980 R N -0.502 119.919 120.500 -0.132 0.000 2.153 980 R HA -0.020 3.806 4.340 -0.856 0.000 0.218 980 R C 2.147 178.320 176.300 -0.212 0.000 1.072 980 R CA 1.153 57.159 56.100 -0.157 0.000 0.990 980 R CB -0.206 29.995 30.300 -0.166 0.000 0.889 980 R HN 0.539 nan 8.270 nan 0.000 0.452 981 K N 0.601 120.804 120.400 -0.328 0.000 2.097 981 K HA -0.091 3.715 4.320 -0.856 0.000 0.206 981 K C 2.049 178.572 176.600 -0.129 0.000 1.049 981 K CA 1.360 57.465 56.287 -0.303 0.000 0.933 981 K CB 0.082 32.329 32.500 -0.421 0.000 0.717 981 K HN -0.037 nan 8.250 nan 0.000 0.442 982 S N 1.119 116.773 115.700 -0.077 0.000 2.351 982 S HA -0.173 3.783 4.470 -0.856 0.000 0.220 982 S C 1.528 176.118 174.600 -0.016 0.000 1.035 982 S CA 1.626 59.810 58.200 -0.026 0.000 1.031 982 S CB -0.275 62.921 63.200 -0.007 0.000 0.928 982 S HN 0.392 nan 8.310 nan 0.000 0.433 983 E N 0.193 120.380 120.200 -0.021 0.000 2.169 983 E HA -0.187 3.649 4.350 -0.856 0.000 0.202 983 E C 2.020 178.641 176.600 0.034 0.000 1.016 983 E CA 1.468 57.871 56.400 0.006 0.000 0.817 983 E CB -0.309 29.381 29.700 -0.017 0.000 0.736 983 E HN 0.281 nan 8.360 nan 0.000 0.462 984 V N 1.815 121.721 119.914 -0.014 0.000 2.244 984 V HA -0.237 3.369 4.120 -0.856 0.000 0.244 984 V C 1.777 177.914 176.094 0.071 0.000 1.042 984 V CA 2.105 64.407 62.300 0.004 0.000 1.006 984 V CB -0.430 31.352 31.823 -0.069 0.000 0.641 984 V HN 0.216 nan 8.190 nan 0.000 0.446 985 D N -0.213 120.204 120.400 0.030 0.000 2.149 985 D HA -0.202 3.925 4.640 -0.856 0.000 0.198 985 D C 2.033 178.358 176.300 0.041 0.000 0.990 985 D CA 1.371 55.391 54.000 0.034 0.000 0.839 985 D CB -0.190 40.618 40.800 0.013 0.000 0.948 985 D HN 0.406 nan 8.370 nan 0.000 0.460 986 K N 0.181 120.609 120.400 0.045 0.000 1.987 986 K HA -0.198 3.609 4.320 -0.856 0.000 0.216 986 K C 2.095 178.734 176.600 0.065 0.000 1.051 986 K CA 1.185 57.497 56.287 0.042 0.000 0.942 986 K CB -0.523 32.002 32.500 0.043 0.000 0.722 986 K HN 0.057 nan 8.250 nan 0.000 0.444 987 F N 1.888 121.819 119.950 -0.030 0.000 2.120 987 F HA -0.290 3.724 4.527 -0.854 0.000 0.300 987 F C 1.612 177.393 175.800 -0.031 0.000 1.095 987 F CA 1.842 59.827 58.000 -0.026 0.000 1.249 987 F CB -0.189 38.797 39.000 -0.023 0.000 0.995 987 F HN 0.210 nan 8.300 nan 0.000 0.480 988 N N 0.554 119.365 118.700 0.185 0.000 2.331 988 N HA -0.117 4.109 4.740 -0.856 0.000 0.180 988 N C 1.581 177.044 175.510 -0.078 0.000 1.019 988 N CA 1.090 54.179 53.050 0.064 0.000 0.881 988 N CB -0.316 38.229 38.487 0.096 0.000 0.972 988 N HN 0.416 nan 8.380 nan 0.000 0.435 989 K N 0.845 121.200 120.400 -0.075 0.000 2.103 989 K HA 0.004 3.810 4.320 -0.856 0.000 0.204 989 K C 1.244 177.760 176.600 -0.140 0.000 1.052 989 K CA 0.873 57.102 56.287 -0.097 0.000 0.945 989 K CB 0.123 32.585 32.500 -0.062 0.000 0.722 989 K HN 0.274 nan 8.250 nan 0.000 0.443 990 E N 0.127 120.218 120.200 -0.182 0.000 2.474 990 E HA 0.061 3.897 4.350 -0.856 0.000 0.194 990 E C -0.204 176.219 176.600 -0.295 0.000 1.041 990 E CA 0.034 56.309 56.400 -0.209 0.000 0.874 990 E CB 0.321 29.905 29.700 -0.194 0.000 0.914 990 E HN 0.174 nan 8.360 nan 0.000 0.498 991 N N -0.203 118.264 118.700 -0.389 0.000 2.284 991 N HA 0.126 4.353 4.740 -0.856 0.000 0.300 991 N C -0.595 174.764 175.510 -0.251 0.000 1.047 991 N CA -0.272 52.538 53.050 -0.399 0.000 0.821 991 N CB 2.120 40.137 38.487 -0.784 0.000 1.337 991 N HN -0.012 nan 8.380 nan 0.000 0.482 992 C N 1.133 120.318 119.300 -0.192 0.000 2.478 992 C HA 0.318 4.264 4.460 -0.856 0.000 0.397 992 C C 0.876 175.649 174.990 -0.361 0.000 1.360 992 C CA -0.289 58.528 59.018 -0.334 0.000 2.191 992 C CB -0.503 27.026 27.740 -0.352 0.000 2.654 992 C HN 0.887 nan 8.230 nan 0.000 0.548 993 W N 1.723 123.080 121.300 0.096 0.000 3.005 993 W HA 0.444 4.590 4.660 -0.857 0.000 0.374 993 W C 0.490 177.071 176.519 0.104 0.000 1.076 993 W CA -0.312 57.113 57.345 0.133 0.000 1.794 993 W CB 0.341 29.864 29.460 0.104 0.000 1.113 993 W HN 0.051 nan 8.180 nan 0.000 0.584 994 K N 1.187 121.746 120.400 0.265 0.000 2.422 994 K HA 0.426 4.232 4.320 -0.856 0.000 0.251 994 K C -0.203 176.597 176.600 0.333 0.000 0.933 994 K CA -0.792 55.665 56.287 0.282 0.000 0.798 994 K CB 2.199 34.900 32.500 0.336 0.000 1.238 994 K HN -0.415 nan 8.250 nan 0.000 0.428 995 K N 1.973 122.556 120.400 0.305 0.000 2.480 995 K HA 0.527 4.333 4.320 -0.856 0.000 0.258 995 K C -0.779 175.894 176.600 0.122 0.000 0.990 995 K CA -0.896 55.566 56.287 0.291 0.000 0.857 995 K CB 2.285 34.867 32.500 0.137 0.000 1.384 995 K HN 0.515 nan 8.250 nan 0.000 0.446 996 R N -0.522 120.007 120.500 0.048 0.000 2.803 996 R HA 0.695 4.521 4.340 -0.856 0.000 0.276 996 R C -0.279 175.988 176.300 -0.055 0.000 0.978 996 R CA -0.891 55.132 56.100 -0.128 0.000 0.939 996 R CB 2.146 32.223 30.300 -0.372 0.000 1.179 996 R HN 0.782 nan 8.270 nan 0.000 0.472 997 G N 1.026 109.784 108.800 -0.070 0.000 2.574 997 G HA2 0.655 4.101 3.960 -0.856 0.000 0.299 997 G HA3 0.655 4.101 3.960 -0.856 0.000 0.299 997 G C -2.002 172.870 174.900 -0.047 0.000 1.298 997 G CA -0.434 44.644 45.100 -0.037 0.000 0.952 997 G HN 0.365 nan 8.290 nan 0.000 0.477 998 L N 0.438 121.645 121.223 -0.027 0.000 2.505 998 L HA 0.754 4.581 4.340 -0.856 0.000 0.266 998 L C -1.103 175.805 176.870 0.063 0.000 0.954 998 L CA -0.501 54.324 54.840 -0.025 0.000 0.852 998 L CB 1.676 43.651 42.059 -0.140 0.000 1.282 998 L HN 0.756 nan 8.230 nan 0.000 0.403 999 C N 5.438 124.805 119.300 0.111 0.000 2.888 999 C HA 0.694 4.641 4.460 -0.856 0.000 0.308 999 C C -1.011 174.048 174.990 0.115 0.000 1.213 999 C CA -0.767 58.341 59.018 0.150 0.000 1.461 999 C CB 1.361 29.196 27.740 0.158 0.000 1.934 999 C HN 0.876 nan 8.230 nan 0.000 0.474 1000 I N 5.501 126.091 120.570 0.032 0.000 2.418 1000 I HA 0.656 4.312 4.170 -0.856 0.000 0.287 1000 I C -1.304 174.813 176.117 -0.000 0.000 1.008 1000 I CA -0.557 60.658 61.300 -0.141 0.000 1.104 1000 I CB 1.018 38.647 38.000 -0.620 0.000 1.264 1000 I HN 0.647 nan 8.210 nan 0.000 0.438 1001 I N 9.647 130.264 120.570 0.080 0.000 2.545 1001 I HA 0.526 4.182 4.170 -0.856 0.000 0.292 1001 I C -2.379 173.914 176.117 0.293 0.000 1.040 1001 I CA -1.850 59.569 61.300 0.199 0.000 1.068 1001 I CB 2.754 40.793 38.000 0.064 0.000 1.251 1001 I HN 0.389 nan 8.210 nan 0.000 0.424 1002 P HA 0.390 nan 4.420 nan 0.000 0.283 1002 P C -0.946 176.535 177.300 0.302 0.000 1.278 1002 P CA -0.470 62.821 63.100 0.318 0.000 0.834 1002 P CB 2.014 33.844 31.700 0.218 0.000 1.150 1003 T N -1.367 113.356 114.554 0.282 0.000 2.889 1003 T HA 0.521 4.358 4.350 -0.856 0.000 0.315 1003 T C -1.489 173.380 174.700 0.282 0.000 1.291 1003 T CA -0.719 61.565 62.100 0.307 0.000 1.028 1003 T CB 1.107 70.250 68.868 0.459 0.000 1.235 1003 T HN 0.654 nan 8.240 nan 0.000 0.491 1004 K N 1.987 122.550 120.400 0.271 0.000 2.395 1004 K HA 0.795 4.601 4.320 -0.856 0.000 0.247 1004 K C -1.915 174.875 176.600 0.316 0.000 0.973 1004 K CA -0.890 55.555 56.287 0.264 0.000 0.828 1004 K CB 2.166 34.849 32.500 0.304 0.000 1.272 1004 K HN 0.461 nan 8.250 nan 0.000 0.439 1005 F N 0.733 120.727 119.950 0.074 0.000 2.585 1005 F HA 0.399 4.413 4.527 -0.854 0.000 0.319 1005 F C -0.224 175.496 175.800 -0.133 0.000 1.165 1005 F CA -0.302 57.718 58.000 0.034 0.000 0.949 1005 F CB 2.070 41.002 39.000 -0.113 0.000 1.218 1005 F HN 0.825 nan 8.300 nan 0.000 0.453 1006 G N 6.397 114.854 108.800 -0.573 0.000 2.365 1006 G HA2 0.388 3.835 3.960 -0.856 0.000 0.249 1006 G HA3 0.388 3.835 3.960 -0.856 0.000 0.249 1006 G C -0.644 173.623 174.900 -1.055 0.000 1.288 1006 G CA -0.404 43.664 45.100 -1.720 0.000 0.887 1006 G HN 0.485 nan 8.290 nan 0.000 0.524 1007 I N 1.495 121.573 120.570 -0.819 0.000 2.312 1007 I HA 0.527 4.183 4.170 -0.856 0.000 0.290 1007 I C 0.304 176.288 176.117 -0.222 0.000 1.008 1007 I CA -0.150 60.851 61.300 -0.498 0.000 1.226 1007 I CB 0.184 37.653 38.000 -0.885 0.000 1.371 1007 I HN 0.460 nan 8.210 nan 0.000 0.468 1008 S N 4.609 120.253 115.700 -0.093 0.000 2.884 1008 S HA 0.155 4.111 4.470 -0.856 0.000 0.258 1008 S C -0.755 173.831 174.600 -0.024 0.000 0.705 1008 S CA -0.908 57.277 58.200 -0.024 0.000 0.984 1008 S CB 0.089 63.295 63.200 0.011 0.000 1.233 1008 S HN 0.299 nan 8.310 nan 0.000 0.542 1009 F N 2.461 122.370 119.950 -0.068 0.000 2.529 1009 F HA 0.171 4.184 4.527 -0.855 0.000 0.365 1009 F C 2.374 178.124 175.800 -0.083 0.000 1.102 1009 F CA 0.754 58.703 58.000 -0.085 0.000 1.271 1009 F CB 0.610 39.531 39.000 -0.132 0.000 1.120 1009 F HN 0.835 nan 8.300 nan 0.000 0.579 1010 T N -0.871 113.787 114.554 0.173 0.000 2.759 1010 T HA -0.106 3.730 4.350 -0.856 0.000 0.269 1010 T C 0.704 175.451 174.700 0.077 0.000 1.042 1010 T CA 0.742 62.910 62.100 0.113 0.000 1.140 1010 T CB -0.597 68.469 68.868 0.329 0.000 0.864 1010 T HN 0.195 nan 8.240 nan 0.000 0.455 1011 V N 4.563 124.504 119.914 0.045 0.000 2.405 1011 V HA 0.188 3.795 4.120 -0.856 0.000 0.264 1011 V C -1.134 174.816 176.094 -0.241 0.000 1.048 1011 V CA -1.464 60.747 62.300 -0.149 0.000 0.966 1011 V CB 1.067 32.670 31.823 -0.367 0.000 1.015 1011 V HN 0.293 nan 8.190 nan 0.000 0.477 1012 P HA -0.167 nan 4.420 nan 0.000 0.218 1012 P C 1.525 178.777 177.300 -0.081 0.000 1.148 1012 P CA 1.222 64.268 63.100 -0.090 0.000 0.822 1012 P CB -0.017 31.670 31.700 -0.021 0.000 0.784 1013 F N -0.944 118.973 119.950 -0.054 0.000 2.365 1013 F HA -0.010 4.003 4.527 -0.856 0.000 0.300 1013 F C 1.612 177.320 175.800 -0.153 0.000 1.090 1013 F CA 0.790 58.741 58.000 -0.082 0.000 1.408 1013 F CB -1.913 37.051 39.000 -0.061 0.000 1.060 1013 F HN -0.210 nan 8.300 nan 0.000 0.534 1014 L N 0.830 121.881 121.223 -0.288 0.000 2.465 1014 L HA -0.039 3.787 4.340 -0.856 0.000 0.224 1014 L C 0.670 177.291 176.870 -0.414 0.000 1.145 1014 L CA 0.424 54.980 54.840 -0.474 0.000 0.834 1014 L CB -0.823 40.528 42.059 -1.181 0.000 0.944 1014 L HN 0.167 nan 8.230 nan 0.000 0.451 1015 N N 2.700 121.299 118.700 -0.168 0.000 3.178 1015 N HA 0.044 4.271 4.740 -0.856 0.000 0.300 1015 N C -0.321 175.109 175.510 -0.132 0.000 1.242 1015 N CA 0.163 53.185 53.050 -0.047 0.000 1.192 1015 N CB 0.200 38.680 38.487 -0.011 0.000 1.463 1015 N HN 0.539 nan 8.380 nan 0.000 0.539 1016 Q N -0.918 118.784 119.800 -0.163 0.000 2.462 1016 Q HA 0.805 4.632 4.340 -0.856 0.000 0.285 1016 Q C -1.966 173.845 176.000 -0.315 0.000 1.035 1016 Q CA -1.292 54.352 55.803 -0.266 0.000 0.799 1016 Q CB 2.194 30.899 28.738 -0.056 0.000 1.452 1016 Q HN 0.089 nan 8.270 nan 0.000 0.404 1017 A N 0.516 123.001 122.820 -0.559 0.000 2.530 1017 A HA 0.735 4.541 4.320 -0.856 0.000 0.297 1017 A C -0.813 176.599 177.584 -0.287 0.000 1.059 1017 A CA -0.080 51.763 52.037 -0.324 0.000 0.782 1017 A CB 1.400 20.064 19.000 -0.560 0.000 1.301 1017 A HN 0.976 nan 8.150 nan 0.000 0.394 1018 G N 0.261 109.165 108.800 0.174 0.000 2.417 1018 G HA2 0.863 4.309 3.960 -0.856 0.000 0.334 1018 G HA3 0.863 4.309 3.960 -0.856 0.000 0.334 1018 G C -0.176 174.897 174.900 0.289 0.000 1.150 1018 G CA 0.112 45.394 45.100 0.304 0.000 0.923 1018 G HN 1.905 nan 8.290 nan 0.000 0.485 1019 A N 0.111 123.067 122.820 0.225 0.000 2.479 1019 A HA 0.856 4.663 4.320 -0.856 0.000 0.296 1019 A C -1.584 176.054 177.584 0.089 0.000 1.121 1019 A CA -0.683 51.457 52.037 0.171 0.000 0.743 1019 A CB 2.121 21.214 19.000 0.155 0.000 1.323 1019 A HN 1.394 nan 8.150 nan 0.000 0.415 1020 L N 1.335 122.567 121.223 0.015 0.000 2.516 1020 L HA 0.630 4.456 4.340 -0.856 0.000 0.267 1020 L C -1.802 174.934 176.870 -0.223 0.000 0.957 1020 L CA -0.186 54.597 54.840 -0.094 0.000 0.860 1020 L CB 1.579 43.577 42.059 -0.101 0.000 1.265 1020 L HN 0.563 nan 8.230 nan 0.000 0.403 1021 I N 4.497 124.916 120.570 -0.251 0.000 2.433 1021 I HA 0.454 4.111 4.170 -0.856 0.000 0.292 1021 I C -0.488 175.398 176.117 -0.384 0.000 1.001 1021 I CA -0.523 60.629 61.300 -0.247 0.000 1.119 1021 I CB 1.569 39.529 38.000 -0.067 0.000 1.289 1021 I HN 0.586 nan 8.210 nan 0.000 0.438 1022 H N 4.934 123.951 119.070 -0.087 0.000 2.492 1022 H HA 0.579 4.621 4.556 -0.856 0.000 0.345 1022 H C -0.673 174.493 175.328 -0.271 0.000 1.136 1022 H CA -0.785 55.106 56.048 -0.260 0.000 1.202 1022 H CB 2.707 32.173 29.762 -0.493 0.000 1.524 1022 H HN 0.184 nan 8.280 nan 0.000 0.506 1023 V N 4.147 123.976 119.914 -0.141 0.000 2.409 1023 V HA 0.190 3.797 4.120 -0.856 0.000 0.291 1023 V C -0.433 175.538 176.094 -0.205 0.000 1.020 1023 V CA -0.755 61.510 62.300 -0.058 0.000 0.848 1023 V CB 0.382 32.246 31.823 0.068 0.000 0.990 1023 V HN 0.594 nan 8.190 nan 0.000 0.430 1024 Y N 1.888 122.222 120.300 0.058 0.000 2.340 1024 Y HA 0.238 4.274 4.550 -0.857 0.000 0.327 1024 Y C 2.051 177.904 175.900 -0.078 0.000 1.321 1024 Y CA 0.122 58.204 58.100 -0.030 0.000 1.433 1024 Y CB 0.867 39.315 38.460 -0.019 0.000 1.373 1024 Y HN 0.721 nan 8.280 nan 0.000 0.538 1025 T N -3.592 110.977 114.554 0.025 0.000 3.085 1025 T HA -0.122 3.715 4.350 -0.856 0.000 0.263 1025 T C 0.869 175.544 174.700 -0.042 0.000 1.127 1025 T CA 0.869 62.911 62.100 -0.096 0.000 1.103 1025 T CB -0.293 68.421 68.868 -0.257 0.000 0.921 1025 T HN 0.742 nan 8.240 nan 0.000 0.510 1026 D N 1.154 121.560 120.400 0.011 0.000 2.349 1026 D HA 0.157 4.284 4.640 -0.856 0.000 0.224 1026 D C 1.686 178.025 176.300 0.064 0.000 1.029 1026 D CA 0.663 54.674 54.000 0.018 0.000 0.879 1026 D CB -0.698 40.110 40.800 0.014 0.000 0.906 1026 D HN 0.579 nan 8.370 nan 0.000 0.528 1027 G N 0.390 109.241 108.800 0.084 0.000 2.217 1027 G HA2 -0.299 3.148 3.960 -0.856 0.000 0.246 1027 G HA3 -0.299 3.148 3.960 -0.856 0.000 0.246 1027 G C 0.432 175.575 174.900 0.405 0.000 0.990 1027 G CA 0.456 45.675 45.100 0.197 0.000 0.627 1027 G HN 0.828 nan 8.290 nan 0.000 0.522 1028 S N -0.682 115.187 115.700 0.282 0.000 2.603 1028 S HA 0.721 4.677 4.470 -0.856 0.000 0.268 1028 S C -0.031 174.782 174.600 0.355 0.000 1.317 1028 S CA 0.029 58.397 58.200 0.280 0.000 1.012 1028 S CB 2.422 65.725 63.200 0.172 0.000 0.926 1028 S HN 1.138 nan 8.310 nan 0.000 0.539 1029 V N 2.190 122.284 119.914 0.299 0.000 2.588 1029 V HA 0.531 4.137 4.120 -0.856 0.000 0.304 1029 V C -0.913 175.339 176.094 0.262 0.000 1.042 1029 V CA -0.768 61.690 62.300 0.264 0.000 0.877 1029 V CB 1.472 33.419 31.823 0.207 0.000 0.996 1029 V HN 0.881 nan 8.190 nan 0.000 0.425 1030 L N 6.284 127.657 121.223 0.250 0.000 2.298 1030 L HA 0.691 4.518 4.340 -0.856 0.000 0.284 1030 L C -0.474 176.442 176.870 0.077 0.000 1.013 1030 L CA 0.054 55.038 54.840 0.240 0.000 0.824 1030 L CB 1.618 43.924 42.059 0.412 0.000 1.221 1030 L HN 0.462 nan 8.230 nan 0.000 0.418 1031 V N 3.677 123.617 119.914 0.044 0.000 2.532 1031 V HA 0.740 4.346 4.120 -0.856 0.000 0.295 1031 V C 0.072 176.143 176.094 -0.038 0.000 1.041 1031 V CA -0.401 61.896 62.300 -0.005 0.000 0.926 1031 V CB 1.585 33.419 31.823 0.018 0.000 0.992 1031 V HN 0.829 nan 8.190 nan 0.000 0.457 1032 S N 2.879 118.556 115.700 -0.038 0.000 2.540 1032 S HA 0.719 4.675 4.470 -0.856 0.000 0.275 1032 S C -1.115 173.484 174.600 -0.003 0.000 1.123 1032 S CA -0.637 57.514 58.200 -0.081 0.000 0.907 1032 S CB 1.079 64.228 63.200 -0.084 0.000 1.081 1032 S HN 1.105 nan 8.310 nan 0.000 0.476 1033 H N 0.604 119.612 119.070 -0.103 0.000 2.960 1033 H HA 0.453 4.495 4.556 -0.857 0.000 0.323 1033 H C 0.842 176.018 175.328 -0.254 0.000 1.326 1033 H CA -0.343 55.633 56.048 -0.120 0.000 1.124 1033 H CB 0.983 30.675 29.762 -0.117 0.000 1.853 1033 H HN 0.699 nan 8.280 nan 0.000 0.536 1034 G N -0.183 108.469 108.800 -0.248 0.000 2.471 1034 G HA2 0.042 3.488 3.960 -0.856 0.000 0.219 1034 G HA3 0.042 3.488 3.960 -0.856 0.000 0.219 1034 G C 0.776 175.334 174.900 -0.570 0.000 1.125 1034 G CA 0.405 45.341 45.100 -0.273 0.000 0.775 1034 G HN 0.806 nan 8.290 nan 0.000 0.548 1035 G N 0.294 108.431 108.800 -1.104 0.000 2.442 1035 G HA2 0.429 3.875 3.960 -0.856 0.000 0.249 1035 G HA3 0.429 3.875 3.960 -0.856 0.000 0.249 1035 G C 0.237 174.952 174.900 -0.307 0.000 1.263 1035 G CA 0.430 45.188 45.100 -0.570 0.000 0.846 1035 G HN 0.379 nan 8.290 nan 0.000 0.555 1036 T N -0.842 113.609 114.554 -0.172 0.000 2.902 1036 T HA 0.529 4.365 4.350 -0.856 0.000 0.283 1036 T C -0.248 174.303 174.700 -0.249 0.000 1.009 1036 T CA -0.805 61.189 62.100 -0.177 0.000 1.051 1036 T CB 2.191 70.992 68.868 -0.111 0.000 0.999 1036 T HN 0.455 nan 8.240 nan 0.000 0.474 1037 E N 2.571 122.566 120.200 -0.343 0.000 2.115 1037 E HA 0.388 4.224 4.350 -0.856 0.000 0.282 1037 E C 0.311 176.824 176.600 -0.145 0.000 0.987 1037 E CA -0.683 55.511 56.400 -0.344 0.000 0.797 1037 E CB 0.651 30.077 29.700 -0.457 0.000 1.086 1037 E HN 0.777 nan 8.360 nan 0.000 0.397 1038 M N 2.577 122.108 119.600 -0.116 0.000 2.603 1038 M HA 0.497 4.463 4.480 -0.856 0.000 0.380 1038 M C 0.767 177.022 176.300 -0.075 0.000 1.158 1038 M CA 0.083 55.315 55.300 -0.114 0.000 0.921 1038 M CB 0.712 33.186 32.600 -0.210 0.000 1.417 1038 M HN 0.583 nan 8.290 nan 0.000 0.523 1039 G N 1.609 110.427 108.800 0.031 0.000 2.253 1039 G HA2 -0.269 3.177 3.960 -0.856 0.000 0.209 1039 G HA3 -0.269 3.177 3.960 -0.856 0.000 0.209 1039 G C 0.886 175.872 174.900 0.142 0.000 0.997 1039 G CA 0.383 45.541 45.100 0.097 0.000 0.640 1039 G HN 0.611 nan 8.290 nan 0.000 0.496 1040 Q N 1.586 121.420 119.800 0.056 0.000 2.435 1040 Q HA 0.296 4.123 4.340 -0.856 0.000 0.207 1040 Q C 1.671 177.689 176.000 0.031 0.000 0.956 1040 Q CA 1.603 57.433 55.803 0.045 0.000 0.917 1040 Q CB -0.408 28.331 28.738 0.001 0.000 0.997 1040 Q HN 2.007 nan 8.270 nan 0.000 0.497 1041 G N 1.667 110.463 108.800 -0.006 0.000 2.149 1041 G HA2 -0.289 3.157 3.960 -0.856 0.000 0.235 1041 G HA3 -0.289 3.157 3.960 -0.856 0.000 0.235 1041 G C 0.362 175.165 174.900 -0.163 0.000 1.018 1041 G CA 0.356 45.339 45.100 -0.194 0.000 0.728 1041 G HN 0.374 nan 8.290 nan 0.000 0.508 1042 L N 0.413 121.552 121.223 -0.139 0.000 1.971 1042 L HA -0.062 3.764 4.340 -0.856 0.000 0.215 1042 L C 2.623 179.467 176.870 -0.043 0.000 1.072 1042 L CA 3.096 57.877 54.840 -0.098 0.000 0.758 1042 L CB -0.635 41.362 42.059 -0.104 0.000 0.889 1042 L HN 0.434 nan 8.230 nan 0.000 0.433 1043 H N -0.863 118.173 119.070 -0.056 0.000 2.352 1043 H HA -0.125 3.919 4.556 -0.854 0.000 0.299 1043 H C 2.177 177.438 175.328 -0.112 0.000 1.097 1043 H CA 1.868 57.884 56.048 -0.054 0.000 1.311 1043 H CB -1.037 28.669 29.762 -0.095 0.000 1.377 1043 H HN 0.390 nan 8.280 nan 0.000 0.504 1044 T N 1.230 115.739 114.554 -0.075 0.000 2.622 1044 T HA -0.140 3.697 4.350 -0.856 0.000 0.266 1044 T C 2.070 176.743 174.700 -0.044 0.000 1.047 1044 T CA 1.604 63.643 62.100 -0.102 0.000 1.159 1044 T CB -0.040 68.708 68.868 -0.199 0.000 0.863 1044 T HN 0.359 nan 8.240 nan 0.000 0.422 1045 K N 0.358 120.732 120.400 -0.043 0.000 2.063 1045 K HA -0.062 3.744 4.320 -0.856 0.000 0.208 1045 K C 2.377 178.975 176.600 -0.003 0.000 1.048 1045 K CA 1.224 57.502 56.287 -0.016 0.000 0.928 1045 K CB -0.210 32.280 32.500 -0.016 0.000 0.713 1045 K HN 0.203 nan 8.250 nan 0.000 0.442 1046 M N 0.413 120.003 119.600 -0.016 0.000 2.149 1046 M HA -0.134 3.832 4.480 -0.856 0.000 0.261 1046 M C 2.239 178.541 176.300 0.003 0.000 1.064 1046 M CA 1.360 56.641 55.300 -0.032 0.000 1.102 1046 M CB -0.838 31.710 32.600 -0.086 0.000 1.369 1046 M HN -0.057 nan 8.290 nan 0.000 0.408 1047 V N 0.183 120.101 119.914 0.006 0.000 2.548 1047 V HA -0.231 3.376 4.120 -0.856 0.000 0.249 1047 V C 2.393 178.492 176.094 0.009 0.000 1.055 1047 V CA 1.311 63.612 62.300 0.003 0.000 1.065 1047 V CB -0.588 31.229 31.823 -0.009 0.000 0.681 1047 V HN 0.530 nan 8.190 nan 0.000 0.462 1048 Q N -0.688 119.119 119.800 0.012 0.000 2.079 1048 Q HA -0.142 3.684 4.340 -0.856 0.000 0.200 1048 Q C 2.353 178.386 176.000 0.055 0.000 0.974 1048 Q CA 1.621 57.434 55.803 0.017 0.000 0.840 1048 Q CB -0.303 28.442 28.738 0.012 0.000 0.898 1048 Q HN 0.533 nan 8.270 nan 0.000 0.430 1049 V N 1.307 121.282 119.914 0.102 0.000 2.307 1049 V HA -0.267 3.339 4.120 -0.856 0.000 0.245 1049 V C 2.388 178.584 176.094 0.170 0.000 1.045 1049 V CA 1.787 64.218 62.300 0.218 0.000 1.024 1049 V CB -1.076 30.854 31.823 0.178 0.000 0.651 1049 V HN 0.389 nan 8.190 nan 0.000 0.449 1050 A N -0.128 122.742 122.820 0.083 0.000 1.892 1050 A HA -0.307 3.500 4.320 -0.856 0.000 0.218 1050 A C 2.598 180.189 177.584 0.011 0.000 1.188 1050 A CA 2.688 54.752 52.037 0.044 0.000 0.631 1050 A CB -0.970 18.042 19.000 0.021 0.000 0.822 1050 A HN 0.551 nan 8.150 nan 0.000 0.447 1051 S N -0.847 114.850 115.700 -0.006 0.000 2.383 1051 S HA -0.178 3.778 4.470 -0.856 0.000 0.227 1051 S C 2.088 176.658 174.600 -0.049 0.000 1.026 1051 S CA 1.836 60.002 58.200 -0.057 0.000 0.981 1051 S CB -0.287 62.884 63.200 -0.048 0.000 0.818 1051 S HN 0.607 nan 8.310 nan 0.000 0.472 1052 K N 0.432 120.831 120.400 -0.002 0.000 2.031 1052 K HA 0.093 3.899 4.320 -0.856 0.000 0.205 1052 K C 2.347 178.984 176.600 0.060 0.000 1.049 1052 K CA 0.954 57.236 56.287 -0.009 0.000 0.939 1052 K CB -0.589 31.861 32.500 -0.083 0.000 0.717 1052 K HN 0.389 nan 8.250 nan 0.000 0.438 1053 A N 1.510 124.423 122.820 0.155 0.000 1.892 1053 A HA -0.178 3.628 4.320 -0.856 0.000 0.218 1053 A C 2.066 179.667 177.584 0.028 0.000 1.188 1053 A CA 1.539 53.661 52.037 0.142 0.000 0.631 1053 A CB -0.698 18.361 19.000 0.098 0.000 0.822 1053 A HN 0.354 nan 8.150 nan 0.000 0.447 1054 L N -1.799 119.411 121.223 -0.021 0.000 2.418 1054 L HA 0.012 3.838 4.340 -0.856 0.000 0.218 1054 L C 0.137 176.937 176.870 -0.117 0.000 1.125 1054 L CA 0.460 55.253 54.840 -0.078 0.000 0.835 1054 L CB -0.174 41.770 42.059 -0.193 0.000 0.953 1054 L HN 0.382 nan 8.230 nan 0.000 0.454 1055 K N 1.469 121.817 120.400 -0.087 0.000 3.372 1055 K HA -0.175 3.631 4.320 -0.856 0.000 0.272 1055 K C -0.589 175.920 176.600 -0.152 0.000 1.037 1055 K CA 0.601 56.850 56.287 -0.064 0.000 0.777 1055 K CB -1.883 30.635 32.500 0.030 0.000 1.347 1055 K HN 0.502 nan 8.250 nan 0.000 0.460 1056 I N -4.680 115.742 120.570 -0.246 0.000 3.006 1056 I HA 0.603 4.259 4.170 -0.856 0.000 0.306 1056 I C -2.836 173.155 176.117 -0.210 0.000 1.250 1056 I CA -3.162 57.940 61.300 -0.330 0.000 0.996 1056 I CB 2.368 39.929 38.000 -0.733 0.000 1.261 1056 I HN -0.275 nan 8.210 nan 0.000 0.442 1057 P HA 0.237 nan 4.420 nan 0.000 0.269 1057 P C 1.081 178.332 177.300 -0.082 0.000 1.209 1057 P CA -0.320 62.722 63.100 -0.096 0.000 0.776 1057 P CB 0.605 32.263 31.700 -0.071 0.000 0.876 1058 I N 0.246 120.788 120.570 -0.046 0.000 2.361 1058 I HA -0.248 3.408 4.170 -0.856 0.000 0.251 1058 I C 1.708 177.827 176.117 0.003 0.000 1.133 1058 I CA 2.009 63.296 61.300 -0.021 0.000 1.413 1058 I CB -1.157 36.839 38.000 -0.006 0.000 1.073 1058 I HN 0.258 nan 8.210 nan 0.000 0.424 1059 S N 1.305 117.006 115.700 0.001 0.000 2.419 1059 S HA -0.189 3.767 4.470 -0.856 0.000 0.235 1059 S C 1.867 176.483 174.600 0.026 0.000 1.019 1059 S CA 1.242 59.453 58.200 0.018 0.000 0.982 1059 S CB -0.632 62.571 63.200 0.005 0.000 0.789 1059 S HN 0.598 nan 8.310 nan 0.000 0.490 1060 K N 0.197 120.600 120.400 0.005 0.000 2.459 1060 K HA 0.329 4.136 4.320 -0.856 0.000 0.193 1060 K C -0.036 176.608 176.600 0.074 0.000 1.030 1060 K CA 0.237 56.540 56.287 0.027 0.000 1.026 1060 K CB -0.031 32.456 32.500 -0.021 0.000 0.809 1060 K HN 0.459 nan 8.250 nan 0.000 0.504 1061 I N -0.388 120.229 120.570 0.078 0.000 2.648 1061 I HA 0.281 3.937 4.170 -0.856 0.000 0.304 1061 I C -0.974 175.269 176.117 0.210 0.000 1.009 1061 I CA -1.191 60.179 61.300 0.116 0.000 1.114 1061 I CB 1.422 39.452 38.000 0.051 0.000 1.293 1061 I HN -0.162 nan 8.210 nan 0.000 0.449 1062 Y N 4.551 124.867 120.300 0.027 0.000 2.552 1062 Y HA 0.634 4.671 4.550 -0.855 0.000 0.337 1062 Y C -1.552 174.336 175.900 -0.020 0.000 1.094 1062 Y CA -0.838 57.266 58.100 0.005 0.000 1.028 1062 Y CB 1.558 40.028 38.460 0.016 0.000 1.321 1062 Y HN 0.316 nan 8.280 nan 0.000 0.456 1063 I N 3.626 123.840 120.570 -0.593 0.000 2.465 1063 I HA 0.311 3.968 4.170 -0.856 0.000 0.291 1063 I C 0.316 175.951 176.117 -0.803 0.000 1.014 1063 I CA -0.345 60.619 61.300 -0.560 0.000 1.093 1063 I CB 2.189 39.806 38.000 -0.637 0.000 1.267 1063 I HN 0.699 nan 8.210 nan 0.000 0.431 1064 S N 4.541 120.011 115.700 -0.384 0.000 2.444 1064 S HA 0.184 4.141 4.470 -0.856 0.000 0.223 1064 S C 0.200 174.702 174.600 -0.163 0.000 1.054 1064 S CA 0.551 58.652 58.200 -0.164 0.000 0.947 1064 S CB 0.263 63.498 63.200 0.059 0.000 0.850 1064 S HN 0.819 nan 8.310 nan 0.000 0.527 1065 E N -1.174 118.919 120.200 -0.179 0.000 2.427 1065 E HA 0.324 4.160 4.350 -0.856 0.000 0.279 1065 E C -1.638 174.876 176.600 -0.143 0.000 1.120 1065 E CA -0.982 55.356 56.400 -0.103 0.000 0.869 1065 E CB 0.549 30.238 29.700 -0.018 0.000 1.393 1065 E HN -0.026 nan 8.360 nan 0.000 0.443 1066 T N 1.155 115.650 114.554 -0.098 0.000 2.875 1066 T HA 0.649 4.485 4.350 -0.856 0.000 0.284 1066 T C -0.660 173.982 174.700 -0.097 0.000 0.995 1066 T CA -0.281 61.731 62.100 -0.146 0.000 1.060 1066 T CB 1.097 69.876 68.868 -0.149 0.000 0.967 1066 T HN 0.602 nan 8.240 nan 0.000 0.476 1067 S N 0.125 115.769 115.700 -0.094 0.000 2.537 1067 S HA 0.370 4.326 4.470 -0.856 0.000 0.270 1067 S C 0.911 175.474 174.600 -0.061 0.000 1.142 1067 S CA -0.508 57.648 58.200 -0.074 0.000 0.870 1067 S CB 1.278 64.443 63.200 -0.058 0.000 1.112 1067 S HN 0.714 nan 8.310 nan 0.000 0.466 1068 T N -0.359 114.157 114.554 -0.063 0.000 3.072 1068 T HA -0.062 3.774 4.350 -0.856 0.000 0.266 1068 T C 1.242 175.924 174.700 -0.030 0.000 1.127 1068 T CA 1.276 63.349 62.100 -0.046 0.000 1.107 1068 T CB -0.784 68.051 68.868 -0.055 0.000 0.910 1068 T HN 0.753 nan 8.240 nan 0.000 0.513 1069 N N 1.636 120.319 118.700 -0.029 0.000 2.373 1069 N HA -0.044 4.183 4.740 -0.856 0.000 0.181 1069 N C 1.590 177.108 175.510 0.012 0.000 1.082 1069 N CA 1.128 54.172 53.050 -0.010 0.000 0.885 1069 N CB -0.626 37.853 38.487 -0.013 0.000 0.977 1069 N HN 0.621 nan 8.380 nan 0.000 0.462 1070 T N -2.509 112.051 114.554 0.010 0.000 2.953 1070 T HA 0.222 4.058 4.350 -0.856 0.000 0.247 1070 T C 0.560 175.275 174.700 0.026 0.000 1.029 1070 T CA 0.204 62.322 62.100 0.029 0.000 1.144 1070 T CB -0.315 68.567 68.868 0.023 0.000 0.870 1070 T HN -0.092 nan 8.240 nan 0.000 0.446 1071 V N 4.566 124.488 119.914 0.014 0.000 2.380 1071 V HA 0.479 4.085 4.120 -0.856 0.000 0.286 1071 V C -2.461 173.655 176.094 0.037 0.000 1.015 1071 V CA -1.966 60.359 62.300 0.042 0.000 0.834 1071 V CB 1.700 33.555 31.823 0.053 0.000 1.009 1071 V HN 0.364 nan 8.190 nan 0.000 0.428 1072 P HA 0.347 nan 4.420 nan 0.000 0.279 1072 P C -0.073 177.256 177.300 0.049 0.000 1.276 1072 P CA -0.401 62.715 63.100 0.027 0.000 0.801 1072 P CB 0.505 32.214 31.700 0.015 0.000 1.127 1073 N N -2.204 116.509 118.700 0.022 0.000 2.686 1073 N HA -0.151 4.076 4.740 -0.856 0.000 0.249 1073 N C -0.144 175.402 175.510 0.059 0.000 1.082 1073 N CA 1.038 54.102 53.050 0.024 0.000 0.725 1073 N CB -2.238 36.259 38.487 0.016 0.000 1.009 1073 N HN 0.596 nan 8.380 nan 0.000 0.545 1074 S N -1.617 114.123 115.700 0.066 0.000 2.564 1074 S HA 0.426 4.382 4.470 -0.856 0.000 0.278 1074 S C 0.652 175.295 174.600 0.071 0.000 1.333 1074 S CA -0.699 57.570 58.200 0.114 0.000 1.048 1074 S CB 1.633 64.909 63.200 0.126 0.000 0.900 1074 S HN 0.191 nan 8.310 nan 0.000 0.505 1075 S N 4.091 119.834 115.700 0.072 0.000 2.579 1075 S HA 0.332 4.288 4.470 -0.856 0.000 0.275 1075 S C -2.064 172.585 174.600 0.082 0.000 1.345 1075 S CA -0.820 57.363 58.200 -0.029 0.000 1.031 1075 S CB -0.241 62.817 63.200 -0.237 0.000 0.892 1075 S HN 0.717 nan 8.310 nan 0.000 0.529 1076 P HA 0.061 nan 4.420 nan 0.000 0.268 1076 P C -0.653 176.795 177.300 0.247 0.000 1.208 1076 P CA -0.161 63.016 63.100 0.129 0.000 0.777 1076 P CB -0.031 31.740 31.700 0.119 0.000 0.875 1077 T N 1.452 116.108 114.554 0.169 0.000 2.775 1077 T HA 0.519 4.356 4.350 -0.856 0.000 0.287 1077 T C 0.233 175.003 174.700 0.116 0.000 0.909 1077 T CA 0.254 62.461 62.100 0.177 0.000 1.081 1077 T CB -0.466 68.448 68.868 0.077 0.000 0.891 1077 T HN 0.641 nan 8.240 nan 0.000 0.544 1078 A N 2.281 125.170 122.820 0.116 0.000 2.511 1078 A HA 0.816 4.623 4.320 -0.856 0.000 0.293 1078 A C 0.556 177.922 177.584 -0.363 0.000 1.098 1078 A CA -0.276 51.732 52.037 -0.048 0.000 0.643 1078 A CB 0.003 19.028 19.000 0.042 0.000 1.302 1078 A HN 1.599 nan 8.150 nan 0.000 0.446 1079 A N -0.847 121.679 122.820 -0.489 0.000 3.153 1079 A HA 0.046 3.853 4.320 -0.856 0.000 0.265 1079 A C 1.294 178.662 177.584 -0.359 0.000 1.212 1079 A CA 1.865 53.520 52.037 -0.637 0.000 1.018 1079 A CB -2.441 15.668 19.000 -1.485 0.000 1.130 1079 A HN 2.554 nan 8.150 nan 0.000 0.873 1080 S N -4.295 111.270 115.700 -0.225 0.000 3.261 1080 S HA -0.312 3.645 4.470 -0.856 0.000 0.287 1080 S C 0.983 175.514 174.600 -0.115 0.000 1.281 1080 S CA 1.865 59.982 58.200 -0.137 0.000 1.053 1080 S CB -2.298 60.817 63.200 -0.141 0.000 1.251 1080 S HN 2.340 nan 8.310 nan 0.000 0.659 1081 V N -2.228 117.594 119.914 -0.153 0.000 3.444 1081 V HA 0.388 3.994 4.120 -0.856 0.000 0.308 1081 V C 1.452 177.519 176.094 -0.045 0.000 1.371 1081 V CA 0.740 62.987 62.300 -0.088 0.000 1.141 1081 V CB 0.604 32.364 31.823 -0.104 0.000 1.037 1081 V HN 0.322 nan 8.190 nan 0.000 0.433 1082 S N 1.677 117.386 115.700 0.014 0.000 2.368 1082 S HA -0.148 3.808 4.470 -0.856 0.000 0.224 1082 S C 1.991 176.658 174.600 0.112 0.000 1.029 1082 S CA 2.146 60.433 58.200 0.145 0.000 0.988 1082 S CB -0.396 62.975 63.200 0.285 0.000 0.838 1082 S HN 0.772 nan 8.310 nan 0.000 0.462 1083 T N 2.469 117.048 114.554 0.042 0.000 2.746 1083 T HA -0.113 3.723 4.350 -0.856 0.000 0.267 1083 T C 1.335 175.999 174.700 -0.061 0.000 1.039 1083 T CA 1.414 63.512 62.100 -0.003 0.000 1.142 1083 T CB -0.466 68.400 68.868 -0.003 0.000 0.866 1083 T HN 0.328 nan 8.240 nan 0.000 0.444 1084 D N 1.410 121.773 120.400 -0.061 0.000 2.084 1084 D HA -0.042 4.084 4.640 -0.856 0.000 0.196 1084 D C 2.251 178.395 176.300 -0.260 0.000 0.985 1084 D CA 1.160 55.093 54.000 -0.112 0.000 0.826 1084 D CB -0.352 40.458 40.800 0.016 0.000 0.978 1084 D HN 0.542 nan 8.370 nan 0.000 0.456 1085 I N -2.501 117.926 120.570 -0.240 0.000 2.400 1085 I HA -0.113 3.543 4.170 -0.856 0.000 0.248 1085 I C 2.117 178.004 176.117 -0.383 0.000 1.109 1085 I CA 0.804 61.913 61.300 -0.317 0.000 1.425 1085 I CB -0.712 37.138 38.000 -0.250 0.000 1.094 1085 I HN -0.105 nan 8.210 nan 0.000 0.425 1086 Y N 2.318 122.548 120.300 -0.117 0.000 2.263 1086 Y HA 0.073 4.109 4.550 -0.857 0.000 0.292 1086 Y C 2.879 178.649 175.900 -0.217 0.000 1.130 1086 Y CA 0.991 58.993 58.100 -0.162 0.000 1.179 1086 Y CB -0.693 37.625 38.460 -0.236 0.000 0.998 1086 Y HN 0.202 nan 8.280 nan 0.000 0.532 1087 G N -0.159 108.581 108.800 -0.101 0.000 2.476 1087 G HA2 -0.368 3.079 3.960 -0.856 0.000 0.218 1087 G HA3 -0.368 3.079 3.960 -0.856 0.000 0.218 1087 G C 1.477 176.277 174.900 -0.166 0.000 1.164 1087 G CA 1.346 46.364 45.100 -0.136 0.000 0.768 1087 G HN 0.273 nan 8.290 nan 0.000 0.560 1088 Q N 0.523 120.137 119.800 -0.311 0.000 2.050 1088 Q HA 0.107 3.933 4.340 -0.856 0.000 0.202 1088 Q C 2.795 178.731 176.000 -0.106 0.000 0.980 1088 Q CA 1.950 57.521 55.803 -0.386 0.000 0.840 1088 Q CB -0.691 27.440 28.738 -1.011 0.000 0.898 1088 Q HN 0.399 nan 8.270 nan 0.000 0.424 1089 A N -0.765 122.016 122.820 -0.065 0.000 1.902 1089 A HA -0.143 3.664 4.320 -0.856 0.000 0.217 1089 A C 2.282 179.917 177.584 0.085 0.000 1.181 1089 A CA 1.677 53.749 52.037 0.058 0.000 0.623 1089 A CB -0.877 18.177 19.000 0.090 0.000 0.818 1089 A HN 0.270 nan 8.150 nan 0.000 0.443 1090 V N -1.428 118.522 119.914 0.061 0.000 2.407 1090 V HA -0.273 3.333 4.120 -0.856 0.000 0.248 1090 V C 2.314 178.444 176.094 0.059 0.000 1.055 1090 V CA 2.082 64.413 62.300 0.052 0.000 1.049 1090 V CB -0.965 30.871 31.823 0.022 0.000 0.662 1090 V HN 0.726 nan 8.190 nan 0.000 0.455 1091 Y N 1.228 121.493 120.300 -0.057 0.000 2.114 1091 Y HA -0.230 3.806 4.550 -0.856 0.000 0.284 1091 Y C 2.629 178.521 175.900 -0.013 0.000 1.143 1091 Y CA 2.034 60.099 58.100 -0.059 0.000 1.135 1091 Y CB -0.097 38.266 38.460 -0.163 0.000 0.980 1091 Y HN 0.203 nan 8.280 nan 0.000 0.499 1092 E N 0.586 120.845 120.200 0.097 0.000 2.070 1092 E HA -0.251 3.586 4.350 -0.856 0.000 0.197 1092 E C 2.395 178.987 176.600 -0.013 0.000 1.004 1092 E CA 1.260 57.688 56.400 0.046 0.000 0.805 1092 E CB -0.951 28.835 29.700 0.143 0.000 0.744 1092 E HN 0.601 nan 8.360 nan 0.000 0.451 1093 A N 0.845 123.675 122.820 0.016 0.000 1.865 1093 A HA -0.231 3.575 4.320 -0.856 0.000 0.217 1093 A C 2.711 180.285 177.584 -0.016 0.000 1.191 1093 A CA 1.744 53.790 52.037 0.015 0.000 0.623 1093 A CB -1.155 17.861 19.000 0.027 0.000 0.826 1093 A HN 0.392 nan 8.150 nan 0.000 0.444 1094 C N -0.962 118.309 119.300 -0.047 0.000 2.385 1094 C HA -0.171 3.775 4.460 -0.856 0.000 0.275 1094 C C 2.909 177.845 174.990 -0.090 0.000 1.207 1094 C CA 1.343 60.326 59.018 -0.057 0.000 1.760 1094 C CB -1.302 26.378 27.740 -0.100 0.000 2.051 1094 C HN 0.612 nan 8.230 nan 0.000 0.467 1095 Q N 0.315 119.990 119.800 -0.208 0.000 2.096 1095 Q HA -0.150 3.676 4.340 -0.856 0.000 0.204 1095 Q C 2.261 178.228 176.000 -0.056 0.000 0.982 1095 Q CA 2.199 57.894 55.803 -0.180 0.000 0.850 1095 Q CB -1.210 27.389 28.738 -0.232 0.000 0.901 1095 Q HN 0.685 nan 8.270 nan 0.000 0.422 1096 T N 1.096 115.634 114.554 -0.026 0.000 2.788 1096 T HA -0.045 3.792 4.350 -0.856 0.000 0.268 1096 T C 1.968 176.684 174.700 0.028 0.000 1.044 1096 T CA 0.809 62.915 62.100 0.009 0.000 1.139 1096 T CB -0.142 68.738 68.868 0.020 0.000 0.867 1096 T HN 0.188 nan 8.240 nan 0.000 0.454 1097 I N 0.493 121.088 120.570 0.041 0.000 2.353 1097 I HA -0.076 3.581 4.170 -0.856 0.000 0.248 1097 I C 2.114 178.288 176.117 0.095 0.000 1.119 1097 I CA 0.912 62.259 61.300 0.078 0.000 1.417 1097 I CB -0.201 37.870 38.000 0.119 0.000 1.078 1097 I HN 0.211 nan 8.210 nan 0.000 0.421 1098 L N 0.214 121.484 121.223 0.079 0.000 2.027 1098 L HA -0.200 3.626 4.340 -0.856 0.000 0.206 1098 L C 2.635 179.524 176.870 0.031 0.000 1.074 1098 L CA 1.107 55.990 54.840 0.072 0.000 0.745 1098 L CB -0.684 41.400 42.059 0.042 0.000 0.898 1098 L HN 0.165 nan 8.230 nan 0.000 0.433 1099 K N 0.569 120.978 120.400 0.015 0.000 2.020 1099 K HA -0.201 3.605 4.320 -0.856 0.000 0.212 1099 K C 2.104 178.714 176.600 0.017 0.000 1.050 1099 K CA 1.568 57.858 56.287 0.004 0.000 0.929 1099 K CB -0.541 31.962 32.500 0.005 0.000 0.714 1099 K HN 0.324 nan 8.250 nan 0.000 0.443 1100 R N 0.564 121.092 120.500 0.048 0.000 2.152 1100 R HA 0.007 3.833 4.340 -0.856 0.000 0.232 1100 R C 2.307 178.708 176.300 0.168 0.000 1.117 1100 R CA 0.755 56.909 56.100 0.090 0.000 0.981 1100 R CB -0.180 30.172 30.300 0.087 0.000 0.870 1100 R HN 0.154 nan 8.270 nan 0.000 0.451 1101 L N -0.230 121.068 121.223 0.126 0.000 2.529 1101 L HA 0.011 3.837 4.340 -0.856 0.000 0.223 1101 L C 2.089 178.986 176.870 0.046 0.000 1.113 1101 L CA 0.085 55.033 54.840 0.180 0.000 0.861 1101 L CB -0.060 42.041 42.059 0.068 0.000 1.012 1101 L HN 0.053 nan 8.230 nan 0.000 0.461 1102 E N 1.530 121.700 120.200 -0.049 0.000 2.065 1102 E HA -0.221 3.616 4.350 -0.856 0.000 0.201 1102 E C -0.644 175.817 176.600 -0.231 0.000 1.016 1102 E CA 2.096 58.406 56.400 -0.149 0.000 0.818 1102 E CB -1.126 28.508 29.700 -0.109 0.000 0.749 1102 E HN 0.226 nan 8.360 nan 0.000 0.453 1103 P HA -0.134 nan 4.420 nan 0.000 0.216 1103 P C 0.984 177.996 177.300 -0.480 0.000 1.150 1103 P CA 1.475 64.291 63.100 -0.473 0.000 0.843 1103 P CB -0.184 31.073 31.700 -0.738 0.000 0.787 1104 F N -0.517 119.348 119.950 -0.141 0.000 2.367 1104 F HA 0.041 4.054 4.527 -0.856 0.000 0.298 1104 F C 2.362 178.009 175.800 -0.256 0.000 1.094 1104 F CA 0.881 58.819 58.000 -0.104 0.000 1.409 1104 F CB -0.662 38.324 39.000 -0.024 0.000 1.064 1104 F HN -0.205 nan 8.300 nan 0.000 0.528 1105 K N 0.914 121.039 120.400 -0.457 0.000 2.026 1105 K HA -0.177 3.629 4.320 -0.856 0.000 0.208 1105 K C 2.035 178.427 176.600 -0.348 0.000 1.048 1105 K CA 1.350 57.090 56.287 -0.912 0.000 0.929 1105 K CB -0.079 31.829 32.500 -0.985 0.000 0.713 1105 K HN 0.192 nan 8.250 nan 0.000 0.439 1106 K N 0.661 120.919 120.400 -0.236 0.000 2.026 1106 K HA -0.141 3.665 4.320 -0.856 0.000 0.208 1106 K C 2.009 178.574 176.600 -0.058 0.000 1.048 1106 K CA 1.513 57.725 56.287 -0.126 0.000 0.929 1106 K CB 0.002 32.421 32.500 -0.134 0.000 0.713 1106 K HN 0.054 nan 8.250 nan 0.000 0.439 1107 K N 0.233 120.600 120.400 -0.056 0.000 2.211 1107 K HA -0.130 3.676 4.320 -0.856 0.000 0.204 1107 K C 0.704 177.354 176.600 0.084 0.000 1.047 1107 K CA 0.892 57.185 56.287 0.010 0.000 0.935 1107 K CB -0.035 32.478 32.500 0.022 0.000 0.728 1107 K HN 0.012 nan 8.250 nan 0.000 0.452 1108 N N -0.465 118.321 118.700 0.143 0.000 2.703 1108 N HA 0.154 4.381 4.740 -0.856 0.000 0.283 1108 N C -2.534 173.191 175.510 0.358 0.000 1.851 1108 N CA -1.760 51.442 53.050 0.254 0.000 0.826 1108 N CB 1.013 39.708 38.487 0.346 0.000 1.239 1108 N HN -0.224 nan 8.380 nan 0.000 0.495 1109 P HA -0.030 nan 4.420 nan 0.000 0.220 1109 P C 0.394 177.886 177.300 0.321 0.000 1.148 1109 P CA 1.090 64.329 63.100 0.231 0.000 0.803 1109 P CB 0.404 32.174 31.700 0.117 0.000 0.782 1110 D N -1.125 119.419 120.400 0.240 0.000 2.350 1110 D HA 0.067 4.193 4.640 -0.856 0.000 0.213 1110 D C 1.335 177.713 176.300 0.129 0.000 1.031 1110 D CA 0.275 54.378 54.000 0.173 0.000 0.861 1110 D CB 0.081 40.943 40.800 0.104 0.000 0.926 1110 D HN 0.095 nan 8.370 nan 0.000 0.520 1111 G N 0.822 109.725 108.800 0.173 0.000 2.716 1111 G HA2 0.212 3.659 3.960 -0.856 0.000 0.251 1111 G HA3 0.212 3.659 3.960 -0.856 0.000 0.251 1111 G C 0.390 175.044 174.900 -0.410 0.000 1.224 1111 G CA -0.220 44.845 45.100 -0.059 0.000 0.891 1111 G HN 0.163 nan 8.290 nan 0.000 0.561 1112 S N -0.770 114.605 115.700 -0.541 0.000 2.693 1112 S HA 0.176 4.132 4.470 -0.856 0.000 0.276 1112 S C 1.100 175.079 174.600 -1.035 0.000 1.192 1112 S CA -0.476 57.352 58.200 -0.621 0.000 0.994 1112 S CB 1.168 64.207 63.200 -0.267 0.000 1.012 1112 S HN 0.812 nan 8.310 nan 0.000 0.550 1113 W N 1.480 122.278 121.300 -0.836 0.000 2.321 1113 W HA -0.223 3.924 4.660 -0.856 0.000 0.306 1113 W C 1.087 177.453 176.519 -0.255 0.000 1.217 1113 W CA 2.327 59.393 57.345 -0.464 0.000 1.257 1113 W CB -0.500 28.881 29.460 -0.131 0.000 1.145 1113 W HN 0.844 nan 8.180 nan 0.000 0.509 1114 E N 0.774 120.871 120.200 -0.172 0.000 2.110 1114 E HA -0.209 3.627 4.350 -0.856 0.000 0.193 1114 E C 1.709 178.174 176.600 -0.225 0.000 0.988 1114 E CA 2.013 58.303 56.400 -0.185 0.000 0.804 1114 E CB -0.685 28.979 29.700 -0.060 0.000 0.745 1114 E HN 0.262 nan 8.360 nan 0.000 0.458 1115 D N -0.381 119.856 120.400 -0.272 0.000 2.097 1115 D HA -0.161 3.966 4.640 -0.856 0.000 0.195 1115 D C 1.707 177.965 176.300 -0.071 0.000 0.989 1115 D CA 0.833 54.726 54.000 -0.179 0.000 0.827 1115 D CB -0.308 40.379 40.800 -0.187 0.000 0.966 1115 D HN 0.269 nan 8.370 nan 0.000 0.456 1116 W N 1.504 122.736 121.300 -0.115 0.000 2.333 1116 W HA -0.124 4.022 4.660 -0.856 0.000 0.316 1116 W C 2.498 178.821 176.519 -0.326 0.000 1.215 1116 W CA 0.077 57.332 57.345 -0.149 0.000 1.278 1116 W CB -1.500 27.895 29.460 -0.108 0.000 1.154 1116 W HN -0.144 nan 8.180 nan 0.000 0.486 1117 V N 0.913 120.675 119.914 -0.254 0.000 2.231 1117 V HA -0.384 3.223 4.120 -0.856 0.000 0.248 1117 V C 2.365 178.329 176.094 -0.217 0.000 1.054 1117 V CA 2.741 64.822 62.300 -0.364 0.000 1.015 1117 V CB -1.133 30.367 31.823 -0.538 0.000 0.638 1117 V HN 0.080 nan 8.190 nan 0.000 0.444 1118 M N 0.596 120.105 119.600 -0.151 0.000 2.106 1118 M HA -0.151 3.815 4.480 -0.856 0.000 0.259 1118 M C 1.963 178.213 176.300 -0.083 0.000 1.068 1118 M CA 2.276 57.541 55.300 -0.060 0.000 1.100 1118 M CB -0.844 31.734 32.600 -0.037 0.000 1.351 1118 M HN 0.302 nan 8.290 nan 0.000 0.404 1119 A N -0.892 121.838 122.820 -0.150 0.000 2.014 1119 A HA 0.192 3.999 4.320 -0.856 0.000 0.218 1119 A C 2.289 179.521 177.584 -0.587 0.000 1.163 1119 A CA 1.614 53.524 52.037 -0.210 0.000 0.652 1119 A CB -1.126 17.844 19.000 -0.050 0.000 0.808 1119 A HN 0.609 nan 8.150 nan 0.000 0.449 1120 A N -1.204 121.135 122.820 -0.801 0.000 1.872 1120 A HA -0.013 3.793 4.320 -0.856 0.000 0.214 1120 A C 2.108 179.459 177.584 -0.389 0.000 1.187 1120 A CA 1.488 52.919 52.037 -1.010 0.000 0.614 1120 A CB -0.845 17.721 19.000 -0.723 0.000 0.826 1120 A HN 0.667 nan 8.150 nan 0.000 0.442 1121 Y N 1.034 121.152 120.300 -0.303 0.000 2.097 1121 Y HA -0.268 3.769 4.550 -0.856 0.000 0.282 1121 Y C 2.516 178.335 175.900 -0.135 0.000 1.152 1121 Y CA 2.310 60.306 58.100 -0.172 0.000 1.136 1121 Y CB -0.380 38.004 38.460 -0.128 0.000 0.975 1121 Y HN 0.369 nan 8.280 nan 0.000 0.498 1122 Q N -0.471 119.152 119.800 -0.296 0.000 2.181 1122 Q HA -0.229 3.598 4.340 -0.856 0.000 0.205 1122 Q C 1.256 177.106 176.000 -0.249 0.000 0.980 1122 Q CA 1.938 57.553 55.803 -0.313 0.000 0.862 1122 Q CB -0.515 28.141 28.738 -0.136 0.000 0.905 1122 Q HN 0.584 nan 8.270 nan 0.000 0.429 1123 D N -0.312 119.969 120.400 -0.198 0.000 2.340 1123 D HA 0.073 4.199 4.640 -0.856 0.000 0.217 1123 D C -0.496 175.768 176.300 -0.059 0.000 1.081 1123 D CA -0.133 53.829 54.000 -0.062 0.000 0.842 1123 D CB 0.176 41.052 40.800 0.127 0.000 0.934 1123 D HN 0.056 nan 8.370 nan 0.000 0.511 1124 R N -0.701 119.707 120.500 -0.153 0.000 3.267 1124 R HA -0.126 3.700 4.340 -0.856 0.000 0.254 1124 R C -1.039 175.250 176.300 -0.018 0.000 0.993 1124 R CA 0.000 56.038 56.100 -0.103 0.000 0.670 1124 R CB -2.219 28.029 30.300 -0.087 0.000 1.125 1124 R HN 0.041 nan 8.270 nan 0.000 0.434 1125 V N 0.911 120.817 119.914 -0.014 0.000 2.435 1125 V HA 0.211 3.817 4.120 -0.856 0.000 0.290 1125 V C 0.878 176.988 176.094 0.026 0.000 1.030 1125 V CA -0.340 61.981 62.300 0.035 0.000 0.881 1125 V CB 1.882 33.762 31.823 0.095 0.000 0.983 1125 V HN 0.413 nan 8.190 nan 0.000 0.445 1126 S N 4.763 120.485 115.700 0.038 0.000 2.546 1126 S HA 0.177 4.133 4.470 -0.856 0.000 0.290 1126 S C 0.262 174.878 174.600 0.027 0.000 1.290 1126 S CA -0.065 58.157 58.200 0.037 0.000 1.069 1126 S CB -0.027 63.195 63.200 0.037 0.000 0.846 1126 S HN 0.572 nan 8.310 nan 0.000 0.495 1127 L N 4.452 125.683 121.223 0.014 0.000 3.094 1127 L HA 0.361 4.188 4.340 -0.856 0.000 0.254 1127 L C 0.318 177.194 176.870 0.010 0.000 1.298 1127 L CA -0.190 54.645 54.840 -0.008 0.000 1.050 1127 L CB 0.449 42.477 42.059 -0.052 0.000 1.420 1127 L HN 0.560 nan 8.230 nan 0.000 0.548 1128 S N -0.589 115.141 115.700 0.050 0.000 2.547 1128 S HA 0.734 4.691 4.470 -0.856 0.000 0.281 1128 S C -0.709 173.932 174.600 0.069 0.000 1.118 1128 S CA -0.317 57.952 58.200 0.115 0.000 0.947 1128 S CB 1.993 65.335 63.200 0.237 0.000 1.053 1128 S HN 0.099 nan 8.310 nan 0.000 0.482 1129 T N 1.954 116.527 114.554 0.032 0.000 2.889 1129 T HA 0.622 4.458 4.350 -0.856 0.000 0.315 1129 T C -0.335 174.373 174.700 0.013 0.000 1.291 1129 T CA -0.232 61.885 62.100 0.029 0.000 1.028 1129 T CB 1.367 70.254 68.868 0.031 0.000 1.235 1129 T HN 0.903 nan 8.240 nan 0.000 0.491 1130 T N 0.756 115.332 114.554 0.038 0.000 2.816 1130 T HA 0.761 4.597 4.350 -0.856 0.000 0.282 1130 T C 0.527 175.280 174.700 0.087 0.000 0.993 1130 T CA -0.272 61.865 62.100 0.061 0.000 0.994 1130 T CB 1.100 70.014 68.868 0.076 0.000 1.025 1130 T HN 0.992 nan 8.240 nan 0.000 0.529 1131 G N -0.303 108.579 108.800 0.137 0.000 2.659 1131 G HA2 0.630 4.077 3.960 -0.856 0.000 0.296 1131 G HA3 0.630 4.077 3.960 -0.856 0.000 0.296 1131 G C -2.145 172.931 174.900 0.293 0.000 1.369 1131 G CA -0.813 44.391 45.100 0.173 0.000 0.937 1131 G HN 0.702 nan 8.290 nan 0.000 0.485 1132 F N 0.489 120.503 119.950 0.106 0.000 2.631 1132 F HA 0.746 4.760 4.527 -0.855 0.000 0.308 1132 F C -1.847 174.064 175.800 0.186 0.000 1.097 1132 F CA -1.028 57.043 58.000 0.120 0.000 0.952 1132 F CB 2.470 41.513 39.000 0.071 0.000 1.307 1132 F HN 0.577 nan 8.300 nan 0.000 0.450 1133 Y N 4.262 124.165 120.300 -0.661 0.000 2.513 1133 Y HA 0.620 4.656 4.550 -0.857 0.000 0.340 1133 Y C -1.509 174.079 175.900 -0.520 0.000 1.055 1133 Y CA -1.022 56.842 58.100 -0.393 0.000 1.020 1133 Y CB 1.552 39.837 38.460 -0.290 0.000 1.301 1133 Y HN 0.652 nan 8.280 nan 0.000 0.453 1134 R N 3.386 123.308 120.500 -0.963 0.000 2.476 1134 R HA 0.402 4.229 4.340 -0.856 0.000 0.305 1134 R C -1.139 174.506 176.300 -1.092 0.000 0.965 1134 R CA -0.643 55.038 56.100 -0.698 0.000 0.867 1134 R CB 1.634 31.777 30.300 -0.262 0.000 1.176 1134 R HN 0.816 nan 8.270 nan 0.000 0.447 1135 T N 6.705 120.810 114.554 -0.749 0.000 2.784 1135 T HA 0.134 3.971 4.350 -0.856 0.000 0.291 1135 T C -2.031 172.450 174.700 -0.365 0.000 0.942 1135 T CA -0.785 60.975 62.100 -0.568 0.000 1.161 1135 T CB 0.615 69.278 68.868 -0.342 0.000 0.885 1135 T HN 0.378 nan 8.240 nan 0.000 0.534 1136 P HA 0.190 nan 4.420 nan 0.000 0.274 1136 P C -0.081 177.187 177.300 -0.054 0.000 1.231 1136 P CA -0.450 62.572 63.100 -0.129 0.000 0.790 1136 P CB 0.442 32.114 31.700 -0.047 0.000 0.951 1137 N N -0.626 118.061 118.700 -0.021 0.000 2.758 1137 N HA -0.147 4.079 4.740 -0.856 0.000 0.248 1137 N C -0.697 174.818 175.510 0.008 0.000 1.076 1137 N CA 0.768 53.826 53.050 0.013 0.000 0.696 1137 N CB -1.852 36.668 38.487 0.054 0.000 0.979 1137 N HN 0.452 nan 8.380 nan 0.000 0.550 1138 L N -0.457 120.752 121.223 -0.022 0.000 2.334 1138 L HA 0.785 4.611 4.340 -0.856 0.000 0.273 1138 L C 0.983 177.838 176.870 -0.025 0.000 1.013 1138 L CA -0.538 54.281 54.840 -0.036 0.000 0.816 1138 L CB 2.035 44.055 42.059 -0.066 0.000 1.278 1138 L HN 0.248 nan 8.230 nan 0.000 0.431 1139 G N 1.317 110.102 108.800 -0.026 0.000 2.681 1139 G HA2 -0.056 3.390 3.960 -0.856 0.000 0.232 1139 G HA3 -0.056 3.390 3.960 -0.856 0.000 0.232 1139 G C -1.405 173.509 174.900 0.023 0.000 3.566 1139 G CA -0.794 44.307 45.100 0.002 0.000 0.726 1139 G HN 0.381 nan 8.290 nan 0.000 0.465 1140 Y N 1.751 121.995 120.300 -0.094 0.000 2.397 1140 Y HA 0.654 4.691 4.550 -0.855 0.000 0.335 1140 Y C 0.482 176.394 175.900 0.020 0.000 1.213 1140 Y CA 0.464 58.518 58.100 -0.077 0.000 1.391 1140 Y CB 1.672 40.028 38.460 -0.174 0.000 1.293 1140 Y HN 0.449 nan 8.280 nan 0.000 0.557 1141 S N 4.959 120.135 115.700 -0.873 0.000 2.519 1141 S HA 0.352 4.308 4.470 -0.856 0.000 0.309 1141 S C 0.117 174.259 174.600 -0.762 0.000 1.100 1141 S CA -0.684 57.210 58.200 -0.509 0.000 1.059 1141 S CB 0.203 63.229 63.200 -0.291 0.000 1.008 1141 S HN 0.688 nan 8.310 nan 0.000 0.478 1142 F N 2.500 122.310 119.950 -0.233 0.000 2.367 1142 F HA 0.110 4.122 4.527 -0.857 0.000 0.298 1142 F C 1.399 177.177 175.800 -0.037 0.000 1.094 1142 F CA 0.386 58.376 58.000 -0.017 0.000 1.409 1142 F CB 0.062 39.123 39.000 0.102 0.000 1.064 1142 F HN 0.624 nan 8.300 nan 0.000 0.528 1143 E N -0.696 119.556 120.200 0.085 0.000 2.313 1143 E HA 0.350 4.186 4.350 -0.856 0.000 0.272 1143 E C 1.032 177.596 176.600 -0.059 0.000 1.038 1143 E CA 0.447 56.862 56.400 0.025 0.000 0.863 1143 E CB 1.149 30.867 29.700 0.030 0.000 1.060 1143 E HN 0.210 nan 8.360 nan 0.000 0.402 1144 T N 1.019 115.545 114.554 -0.046 0.000 11.666 1144 T HA -0.414 3.422 4.350 -0.856 0.000 0.399 1144 T C 0.770 175.410 174.700 -0.100 0.000 1.591 1144 T CA 1.354 63.410 62.100 -0.073 0.000 2.578 1144 T CB -2.040 66.776 68.868 -0.087 0.000 2.705 1144 T HN 1.202 nan 8.240 nan 0.000 0.852 1145 N N 1.364 119.940 118.700 -0.206 0.000 2.708 1145 N HA -0.134 4.092 4.740 -0.856 0.000 0.255 1145 N C -0.350 175.127 175.510 -0.056 0.000 1.046 1145 N CA 2.355 55.317 53.050 -0.146 0.000 0.715 1145 N CB -1.376 37.155 38.487 0.074 0.000 0.895 1145 N HN 2.088 nan 8.380 nan 0.000 0.545 1146 S N -1.024 114.524 115.700 -0.253 0.000 2.636 1146 S HA 0.850 4.806 4.470 -0.856 0.000 0.268 1146 S C 0.071 174.630 174.600 -0.069 0.000 1.159 1146 S CA 0.289 58.466 58.200 -0.038 0.000 0.815 1146 S CB 1.433 64.615 63.200 -0.030 0.000 1.130 1146 S HN 1.740 nan 8.310 nan 0.000 0.471 1147 G N 1.208 110.031 108.800 0.038 0.000 2.719 1147 G HA2 -0.037 3.409 3.960 -0.856 0.000 0.686 1147 G HA3 -0.037 3.409 3.960 -0.856 0.000 0.686 1147 G C -1.125 173.852 174.900 0.128 0.000 1.201 1147 G CA -0.806 44.322 45.100 0.048 0.000 0.768 1147 G HN 0.975 nan 8.290 nan 0.000 0.629 1148 N N 0.676 119.414 118.700 0.063 0.000 2.468 1148 N HA 0.328 4.554 4.740 -0.856 0.000 0.265 1148 N C 1.280 176.707 175.510 -0.140 0.000 1.199 1148 N CA 0.542 53.603 53.050 0.019 0.000 0.928 1148 N CB 1.585 40.089 38.487 0.028 0.000 1.059 1148 N HN 1.005 nan 8.380 nan 0.000 0.467 1149 A N 3.125 125.688 122.820 -0.429 0.000 1.911 1149 A HA 0.167 3.973 4.320 -0.856 0.000 0.212 1149 A C 0.257 177.129 177.584 -1.187 0.000 1.189 1149 A CA 0.734 52.115 52.037 -1.093 0.000 0.639 1149 A CB 0.088 17.686 19.000 -2.336 0.000 0.839 1149 A HN 0.574 nan 8.150 nan 0.000 0.449 1150 F N -3.680 116.051 119.950 -0.365 0.000 2.594 1150 F HA 0.529 4.543 4.527 -0.856 0.000 0.335 1150 F C 1.117 176.793 175.800 -0.208 0.000 1.058 1150 F CA -0.649 57.111 58.000 -0.400 0.000 0.981 1150 F CB 0.819 39.363 39.000 -0.759 0.000 1.289 1150 F HN 0.109 nan 8.300 nan 0.000 0.490 1151 H N -0.351 118.659 119.070 -0.099 0.000 2.465 1151 H HA 0.158 4.200 4.556 -0.857 0.000 0.289 1151 H C -1.000 174.413 175.328 0.142 0.000 1.022 1151 H CA 0.959 57.030 56.048 0.038 0.000 1.340 1151 H CB 0.265 30.104 29.762 0.129 0.000 1.437 1151 H HN 0.521 nan 8.280 nan 0.000 0.539 1152 Y N -3.866 116.324 120.300 -0.184 0.000 2.814 1152 Y HA 0.417 4.454 4.550 -0.856 0.000 0.348 1152 Y C -2.042 173.572 175.900 -0.477 0.000 1.245 1152 Y CA -2.000 55.969 58.100 -0.218 0.000 1.086 1152 Y CB 0.415 38.787 38.460 -0.146 0.000 1.373 1152 Y HN -0.196 nan 8.280 nan 0.000 0.451 1153 F N 0.405 120.306 119.950 -0.083 0.000 2.546 1153 F HA 0.720 4.733 4.527 -0.857 0.000 0.320 1153 F C 0.033 175.555 175.800 -0.463 0.000 1.076 1153 F CA -0.905 56.838 58.000 -0.428 0.000 0.928 1153 F CB 2.508 41.132 39.000 -0.627 0.000 1.189 1153 F HN 0.518 nan 8.300 nan 0.000 0.465 1154 T N 1.673 116.084 114.554 -0.238 0.000 2.875 1154 T HA 0.519 4.356 4.350 -0.856 0.000 0.284 1154 T C -1.219 173.311 174.700 -0.283 0.000 0.995 1154 T CA -0.374 61.646 62.100 -0.133 0.000 1.060 1154 T CB 0.504 69.375 68.868 0.006 0.000 0.967 1154 T HN 0.321 nan 8.240 nan 0.000 0.476 1155 Y N -0.005 120.375 120.300 0.133 0.000 2.499 1155 Y HA 0.694 4.730 4.550 -0.856 0.000 0.347 1155 Y C 0.610 176.548 175.900 0.064 0.000 0.987 1155 Y CA -0.894 57.248 58.100 0.071 0.000 1.044 1155 Y CB 2.686 41.118 38.460 -0.047 0.000 1.245 1155 Y HN 0.918 nan 8.280 nan 0.000 0.461 1156 G N 0.257 109.209 108.800 0.253 0.000 2.623 1156 G HA2 0.617 4.063 3.960 -0.856 0.000 0.290 1156 G HA3 0.617 4.063 3.960 -0.856 0.000 0.290 1156 G C -2.372 172.643 174.900 0.192 0.000 1.437 1156 G CA -0.747 44.463 45.100 0.184 0.000 0.798 1156 G HN 0.465 nan 8.290 nan 0.000 0.488 1157 V N -0.224 119.783 119.914 0.155 0.000 2.733 1157 V HA 0.821 4.428 4.120 -0.856 0.000 0.306 1157 V C -0.071 176.070 176.094 0.078 0.000 1.084 1157 V CA -0.300 62.094 62.300 0.158 0.000 0.905 1157 V CB 1.515 33.444 31.823 0.176 0.000 1.010 1157 V HN 1.581 nan 8.190 nan 0.000 0.424 1158 A N 2.874 125.739 122.820 0.076 0.000 2.401 1158 A HA 0.876 4.683 4.320 -0.856 0.000 0.310 1158 A C -0.830 176.753 177.584 -0.001 0.000 1.075 1158 A CA -0.512 51.544 52.037 0.033 0.000 0.746 1158 A CB 1.816 20.878 19.000 0.105 0.000 1.277 1158 A HN 1.252 nan 8.150 nan 0.000 0.425 1159 C N 1.316 120.602 119.300 -0.024 0.000 2.441 1159 C HA 0.886 4.832 4.460 -0.856 0.000 0.318 1159 C C -0.283 174.724 174.990 0.029 0.000 1.222 1159 C CA -0.081 58.931 59.018 -0.009 0.000 1.474 1159 C CB 0.494 28.209 27.740 -0.042 0.000 2.125 1159 C HN 0.885 nan 8.230 nan 0.000 0.479 1160 S N 3.001 118.739 115.700 0.062 0.000 2.549 1160 S HA 0.609 4.565 4.470 -0.856 0.000 0.280 1160 S C -1.500 173.120 174.600 0.034 0.000 1.109 1160 S CA -0.453 57.785 58.200 0.063 0.000 0.905 1160 S CB 1.707 64.985 63.200 0.130 0.000 1.081 1160 S HN 0.892 nan 8.310 nan 0.000 0.477 1161 E N 1.846 122.049 120.200 0.005 0.000 2.224 1161 E HA 0.619 4.455 4.350 -0.856 0.000 0.265 1161 E C -1.158 175.425 176.600 -0.029 0.000 0.878 1161 E CA -0.803 55.578 56.400 -0.032 0.000 0.759 1161 E CB 1.296 30.953 29.700 -0.070 0.000 1.164 1161 E HN 0.487 nan 8.360 nan 0.000 0.414 1162 V N 0.986 120.880 119.914 -0.034 0.000 2.960 1162 V HA 0.656 4.262 4.120 -0.856 0.000 0.315 1162 V C -0.713 175.344 176.094 -0.062 0.000 1.087 1162 V CA -0.847 61.447 62.300 -0.009 0.000 0.982 1162 V CB 1.750 33.593 31.823 0.034 0.000 1.039 1162 V HN 0.829 nan 8.190 nan 0.000 0.437 1163 E N 3.133 123.306 120.200 -0.045 0.000 2.199 1163 E HA 0.629 4.465 4.350 -0.856 0.000 0.265 1163 E C -0.773 175.847 176.600 0.033 0.000 0.882 1163 E CA -0.946 55.407 56.400 -0.077 0.000 0.759 1163 E CB 1.934 31.535 29.700 -0.164 0.000 1.148 1163 E HN 0.951 nan 8.360 nan 0.000 0.412 1164 I N 0.795 121.392 120.570 0.045 0.000 2.566 1164 I HA 0.520 4.176 4.170 -0.856 0.000 0.303 1164 I C -0.409 175.771 176.117 0.104 0.000 0.983 1164 I CA -0.841 60.509 61.300 0.083 0.000 1.235 1164 I CB 1.611 39.632 38.000 0.035 0.000 1.386 1164 I HN 0.375 nan 8.210 nan 0.000 0.494 1165 D N 4.551 125.011 120.400 0.099 0.000 2.329 1165 D HA 0.277 4.403 4.640 -0.856 0.000 0.232 1165 D C 0.377 176.742 176.300 0.108 0.000 1.088 1165 D CA -0.554 53.510 54.000 0.106 0.000 0.835 1165 D CB 1.610 42.451 40.800 0.067 0.000 1.078 1165 D HN 0.751 nan 8.370 nan 0.000 0.495 1166 C N 3.436 122.838 119.300 0.170 0.000 2.472 1166 C HA 0.072 4.018 4.460 -0.856 0.000 0.278 1166 C C 2.436 177.524 174.990 0.164 0.000 1.447 1166 C CA -0.108 59.025 59.018 0.193 0.000 1.773 1166 C CB -0.953 26.971 27.740 0.306 0.000 1.793 1166 C HN 0.645 nan 8.230 nan 0.000 0.544 1167 L N 0.801 122.077 121.223 0.088 0.000 2.477 1167 L HA 0.027 3.853 4.340 -0.856 0.000 0.220 1167 L C 2.426 179.238 176.870 -0.096 0.000 1.106 1167 L CA 1.529 56.325 54.840 -0.073 0.000 0.851 1167 L CB -0.155 41.770 42.059 -0.224 0.000 0.994 1167 L HN 0.509 nan 8.230 nan 0.000 0.462 1168 T N -5.922 108.608 114.554 -0.040 0.000 3.016 1168 T HA 0.247 4.083 4.350 -0.856 0.000 0.271 1168 T C 1.388 176.080 174.700 -0.014 0.000 0.968 1168 T CA 0.483 62.556 62.100 -0.045 0.000 0.891 1168 T CB 0.965 69.804 68.868 -0.049 0.000 1.149 1168 T HN 0.250 nan 8.240 nan 0.000 0.524 1169 G N 1.414 110.221 108.800 0.011 0.000 2.189 1169 G HA2 -0.260 3.186 3.960 -0.856 0.000 0.267 1169 G HA3 -0.260 3.186 3.960 -0.856 0.000 0.267 1169 G C -0.138 174.792 174.900 0.049 0.000 0.975 1169 G CA 0.390 45.503 45.100 0.022 0.000 0.644 1169 G HN 0.785 nan 8.290 nan 0.000 0.537 1170 D N 0.703 121.130 120.400 0.046 0.000 2.358 1170 D HA 0.559 4.686 4.640 -0.856 0.000 0.244 1170 D C 0.622 177.000 176.300 0.131 0.000 1.163 1170 D CA 0.366 54.404 54.000 0.063 0.000 0.945 1170 D CB 0.350 41.152 40.800 0.002 0.000 1.152 1170 D HN 0.558 nan 8.370 nan 0.000 0.451 1171 H N -1.368 117.679 119.070 -0.038 0.000 3.064 1171 H HA 0.408 4.448 4.556 -0.859 0.000 0.352 1171 H C -1.346 173.954 175.328 -0.047 0.000 1.260 1171 H CA -0.937 55.087 56.048 -0.041 0.000 1.160 1171 H CB 0.613 30.345 29.762 -0.050 0.000 1.879 1171 H HN 0.264 nan 8.280 nan 0.000 0.544 1172 K N 1.976 122.333 120.400 -0.071 0.000 2.164 1172 K HA 0.315 4.121 4.320 -0.856 0.000 0.258 1172 K C -0.507 176.076 176.600 -0.028 0.000 0.951 1172 K CA -1.051 55.165 56.287 -0.118 0.000 0.844 1172 K CB 1.335 33.795 32.500 -0.067 0.000 1.099 1172 K HN 0.448 nan 8.250 nan 0.000 0.435 1173 N N 3.413 122.076 118.700 -0.060 0.000 2.420 1173 N HA 0.127 4.353 4.740 -0.856 0.000 0.249 1173 N C 0.621 176.109 175.510 -0.037 0.000 1.033 1173 N CA -0.070 52.976 53.050 -0.007 0.000 0.944 1173 N CB 1.058 39.533 38.487 -0.019 0.000 1.113 1173 N HN 0.457 nan 8.380 nan 0.000 0.502 1174 L N 1.117 122.320 121.223 -0.034 0.000 2.127 1174 L HA 0.193 4.020 4.340 -0.856 0.000 0.203 1174 L C 1.052 177.902 176.870 -0.034 0.000 1.080 1174 L CA 0.736 55.548 54.840 -0.046 0.000 0.768 1174 L CB 0.115 42.130 42.059 -0.072 0.000 0.924 1174 L HN 0.371 nan 8.230 nan 0.000 0.444 1175 R N -0.698 119.785 120.500 -0.028 0.000 2.561 1175 R HA 0.382 4.208 4.340 -0.856 0.000 0.266 1175 R C -1.705 174.588 176.300 -0.011 0.000 1.091 1175 R CA -0.259 55.831 56.100 -0.016 0.000 0.927 1175 R CB 2.069 32.357 30.300 -0.021 0.000 1.240 1175 R HN -0.183 nan 8.270 nan 0.000 0.449 1176 T N 2.490 117.039 114.554 -0.007 0.000 2.881 1176 T HA 0.363 4.200 4.350 -0.856 0.000 0.290 1176 T C -1.551 173.145 174.700 -0.008 0.000 1.000 1176 T CA -0.653 61.428 62.100 -0.032 0.000 0.978 1176 T CB 1.707 70.477 68.868 -0.164 0.000 0.997 1176 T HN 0.499 nan 8.240 nan 0.000 0.443 1177 D N 1.809 122.183 120.400 -0.044 0.000 2.505 1177 D HA 0.625 4.752 4.640 -0.856 0.000 0.249 1177 D C -0.624 175.628 176.300 -0.081 0.000 1.082 1177 D CA -0.374 53.595 54.000 -0.051 0.000 0.839 1177 D CB 1.546 42.319 40.800 -0.046 0.000 1.317 1177 D HN 0.370 nan 8.370 nan 0.000 0.497 1178 I N 1.826 122.343 120.570 -0.088 0.000 2.533 1178 I HA 0.427 4.083 4.170 -0.856 0.000 0.290 1178 I C -0.994 175.092 176.117 -0.052 0.000 1.056 1178 I CA -1.092 60.160 61.300 -0.081 0.000 1.057 1178 I CB 2.164 40.089 38.000 -0.125 0.000 1.240 1178 I HN 0.034 nan 8.210 nan 0.000 0.423 1179 V N 6.482 126.384 119.914 -0.019 0.000 2.380 1179 V HA 0.430 4.036 4.120 -0.856 0.000 0.286 1179 V C -0.109 176.006 176.094 0.035 0.000 1.015 1179 V CA -0.446 61.854 62.300 -0.000 0.000 0.834 1179 V CB 1.605 33.428 31.823 -0.001 0.000 1.009 1179 V HN 0.595 nan 8.190 nan 0.000 0.428 1180 M N 3.244 122.864 119.600 0.035 0.000 2.300 1180 M HA 0.408 4.374 4.480 -0.856 0.000 0.348 1180 M C -0.346 175.996 176.300 0.069 0.000 1.151 1180 M CA -0.708 54.630 55.300 0.064 0.000 1.046 1180 M CB 1.361 33.993 32.600 0.052 0.000 1.647 1180 M HN 0.672 nan 8.290 nan 0.000 0.451 1181 D N 2.918 123.382 120.400 0.108 0.000 2.374 1181 D HA 0.266 4.393 4.640 -0.856 0.000 0.240 1181 D C 0.630 176.998 176.300 0.113 0.000 1.229 1181 D CA -0.233 53.838 54.000 0.119 0.000 0.895 1181 D CB 0.563 41.476 40.800 0.188 0.000 1.046 1181 D HN 0.414 nan 8.370 nan 0.000 0.498 1182 V N 1.924 121.884 119.914 0.076 0.000 3.319 1182 V HA 0.535 4.141 4.120 -0.856 0.000 0.317 1182 V C 1.262 177.386 176.094 0.051 0.000 1.411 1182 V CA 0.330 62.670 62.300 0.067 0.000 1.112 1182 V CB -0.462 31.388 31.823 0.044 0.000 1.031 1182 V HN 0.673 nan 8.190 nan 0.000 0.448 1183 G N 1.750 110.580 108.800 0.049 0.000 2.582 1183 G HA2 -0.271 3.176 3.960 -0.856 0.000 0.288 1183 G HA3 -0.271 3.176 3.960 -0.856 0.000 0.288 1183 G C 0.077 174.985 174.900 0.013 0.000 1.247 1183 G CA 0.155 45.266 45.100 0.019 0.000 0.972 1183 G HN 1.132 nan 8.290 nan 0.000 0.557 1184 S N 0.391 116.093 115.700 0.003 0.000 2.409 1184 S HA 0.530 4.486 4.470 -0.856 0.000 0.308 1184 S C 0.439 175.045 174.600 0.010 0.000 1.080 1184 S CA 0.564 58.767 58.200 0.005 0.000 1.081 1184 S CB 1.288 64.490 63.200 0.002 0.000 1.009 1184 S HN 1.221 nan 8.310 nan 0.000 0.502 1185 S N 3.004 118.709 115.700 0.009 0.000 2.546 1185 S HA 0.125 4.081 4.470 -0.856 0.000 0.290 1185 S C 1.260 175.866 174.600 0.011 0.000 1.290 1185 S CA -0.604 57.603 58.200 0.012 0.000 1.069 1185 S CB -0.013 63.192 63.200 0.008 0.000 0.846 1185 S HN 0.643 nan 8.310 nan 0.000 0.495 1186 L N 3.624 124.859 121.223 0.020 0.000 2.275 1186 L HA 0.125 3.951 4.340 -0.856 0.000 0.215 1186 L C 1.232 178.105 176.870 0.006 0.000 1.119 1186 L CA 0.507 55.361 54.840 0.023 0.000 0.790 1186 L CB -0.270 41.816 42.059 0.046 0.000 0.919 1186 L HN 0.599 nan 8.230 nan 0.000 0.443 1187 N N -1.080 117.623 118.700 0.005 0.000 2.827 1187 N HA 0.133 4.359 4.740 -0.856 0.000 0.240 1187 N C -2.258 173.253 175.510 0.002 0.000 1.352 1187 N CA -1.036 52.014 53.050 0.001 0.000 0.760 1187 N CB 1.315 39.802 38.487 0.001 0.000 1.426 1187 N HN -0.283 nan 8.380 nan 0.000 0.561 1188 P HA -0.182 nan 4.420 nan 0.000 0.217 1188 P C 1.173 178.470 177.300 -0.006 0.000 1.158 1188 P CA 1.748 64.845 63.100 -0.005 0.000 0.887 1188 P CB 0.325 32.019 31.700 -0.010 0.000 0.792 1189 A N -0.311 122.508 122.820 -0.001 0.000 1.865 1189 A HA -0.210 3.596 4.320 -0.856 0.000 0.217 1189 A C 2.227 179.819 177.584 0.013 0.000 1.191 1189 A CA 1.845 53.884 52.037 0.004 0.000 0.623 1189 A CB -1.554 17.454 19.000 0.013 0.000 0.826 1189 A HN 0.046 nan 8.150 nan 0.000 0.444 1190 I N 0.430 121.013 120.570 0.021 0.000 2.179 1190 I HA -0.207 3.450 4.170 -0.856 0.000 0.242 1190 I C 1.838 177.970 176.117 0.025 0.000 1.088 1190 I CA 1.763 63.082 61.300 0.032 0.000 1.357 1190 I CB -1.547 36.467 38.000 0.023 0.000 1.051 1190 I HN 0.314 nan 8.210 nan 0.000 0.409 1191 D N 0.751 121.160 120.400 0.014 0.000 2.117 1191 D HA -0.094 4.033 4.640 -0.856 0.000 0.198 1191 D C 2.358 178.660 176.300 0.004 0.000 0.982 1191 D CA 0.936 54.944 54.000 0.013 0.000 0.828 1191 D CB -0.136 40.672 40.800 0.012 0.000 0.967 1191 D HN 0.297 nan 8.370 nan 0.000 0.464 1192 I N 1.190 121.752 120.570 -0.013 0.000 2.208 1192 I HA -0.203 3.453 4.170 -0.856 0.000 0.245 1192 I C 2.472 178.567 176.117 -0.037 0.000 1.097 1192 I CA 1.419 62.694 61.300 -0.042 0.000 1.363 1192 I CB -0.298 37.663 38.000 -0.065 0.000 1.051 1192 I HN 0.028 nan 8.210 nan 0.000 0.413 1193 G N -0.452 108.343 108.800 -0.008 0.000 2.432 1193 G HA2 -0.225 3.221 3.960 -0.856 0.000 0.219 1193 G HA3 -0.225 3.221 3.960 -0.856 0.000 0.219 1193 G C 1.587 176.518 174.900 0.050 0.000 1.135 1193 G CA 0.366 45.477 45.100 0.018 0.000 0.767 1193 G HN 0.284 nan 8.290 nan 0.000 0.550 1194 Q N 0.076 119.906 119.800 0.050 0.000 2.083 1194 Q HA 0.017 3.844 4.340 -0.856 0.000 0.198 1194 Q C 3.015 179.064 176.000 0.082 0.000 0.969 1194 Q CA 0.777 56.623 55.803 0.071 0.000 0.838 1194 Q CB -0.647 28.122 28.738 0.052 0.000 0.900 1194 Q HN 0.400 nan 8.270 nan 0.000 0.436 1195 V N 1.635 121.583 119.914 0.056 0.000 2.261 1195 V HA -0.257 3.350 4.120 -0.856 0.000 0.246 1195 V C 2.181 178.358 176.094 0.138 0.000 1.047 1195 V CA 1.932 64.278 62.300 0.076 0.000 1.015 1195 V CB -0.564 31.270 31.823 0.019 0.000 0.642 1195 V HN 0.389 nan 8.190 nan 0.000 0.446 1196 E N 0.304 120.543 120.200 0.065 0.000 2.070 1196 E HA -0.201 3.636 4.350 -0.856 0.000 0.197 1196 E C 2.301 179.074 176.600 0.288 0.000 1.004 1196 E CA 1.442 57.927 56.400 0.141 0.000 0.805 1196 E CB -0.541 29.120 29.700 -0.066 0.000 0.744 1196 E HN 0.658 nan 8.360 nan 0.000 0.451 1197 G N 1.247 110.157 108.800 0.184 0.000 2.434 1197 G HA2 -0.243 3.203 3.960 -0.856 0.000 0.214 1197 G HA3 -0.243 3.203 3.960 -0.856 0.000 0.214 1197 G C 1.744 176.743 174.900 0.165 0.000 1.202 1197 G CA 1.042 46.244 45.100 0.170 0.000 0.788 1197 G HN 0.359 nan 8.290 nan 0.000 0.539 1198 A N 0.478 123.401 122.820 0.172 0.000 1.903 1198 A HA -0.106 3.700 4.320 -0.856 0.000 0.219 1198 A C 2.228 179.904 177.584 0.154 0.000 1.191 1198 A CA 1.967 54.092 52.037 0.147 0.000 0.638 1198 A CB -0.700 18.375 19.000 0.125 0.000 0.823 1198 A HN 0.493 nan 8.150 nan 0.000 0.451 1199 F N 0.466 120.474 119.950 0.097 0.000 2.134 1199 F HA -0.130 3.888 4.527 -0.849 0.000 0.299 1199 F C 2.177 178.006 175.800 0.047 0.000 1.097 1199 F CA 2.011 60.071 58.000 0.101 0.000 1.264 1199 F CB -0.225 38.890 39.000 0.191 0.000 1.001 1199 F HN 0.019 nan 8.300 nan 0.000 0.479 1200 V N 0.227 120.197 119.914 0.095 0.000 2.667 1200 V HA -0.247 3.360 4.120 -0.856 0.000 0.252 1200 V C 2.228 178.215 176.094 -0.179 0.000 1.065 1200 V CA 1.880 64.133 62.300 -0.078 0.000 1.083 1200 V CB -0.594 31.268 31.823 0.066 0.000 0.692 1200 V HN 0.413 nan 8.190 nan 0.000 0.468 1201 Q N -0.151 119.568 119.800 -0.134 0.000 2.123 1201 Q HA -0.083 3.744 4.340 -0.856 0.000 0.199 1201 Q C 2.383 178.215 176.000 -0.279 0.000 0.966 1201 Q CA 1.462 57.155 55.803 -0.183 0.000 0.845 1201 Q CB -0.411 28.256 28.738 -0.118 0.000 0.907 1201 Q HN 0.710 nan 8.270 nan 0.000 0.439 1202 G N 1.451 110.093 108.800 -0.263 0.000 2.421 1202 G HA2 -0.270 3.176 3.960 -0.856 0.000 0.216 1202 G HA3 -0.270 3.176 3.960 -0.856 0.000 0.216 1202 G C 1.402 176.105 174.900 -0.329 0.000 1.171 1202 G CA 0.928 45.836 45.100 -0.319 0.000 0.775 1202 G HN 0.351 nan 8.290 nan 0.000 0.543 1203 L N 1.824 122.796 121.223 -0.419 0.000 2.127 1203 L HA 0.105 3.931 4.340 -0.856 0.000 0.211 1203 L C 2.481 179.203 176.870 -0.247 0.000 1.089 1203 L CA 2.414 57.044 54.840 -0.351 0.000 0.757 1203 L CB -1.128 40.627 42.059 -0.506 0.000 0.899 1203 L HN 0.125 nan 8.230 nan 0.000 0.434 1204 G N -0.172 108.453 108.800 -0.292 0.000 2.414 1204 G HA2 -0.249 3.198 3.960 -0.856 0.000 0.215 1204 G HA3 -0.249 3.198 3.960 -0.856 0.000 0.215 1204 G C 1.544 176.242 174.900 -0.336 0.000 1.188 1204 G CA 0.804 45.730 45.100 -0.290 0.000 0.783 1204 G HN 0.458 nan 8.290 nan 0.000 0.537 1205 L N -0.174 120.764 121.223 -0.474 0.000 2.013 1205 L HA 0.027 3.853 4.340 -0.856 0.000 0.212 1205 L C 2.448 178.945 176.870 -0.621 0.000 1.073 1205 L CA 1.821 56.263 54.840 -0.663 0.000 0.753 1205 L CB -0.564 40.882 42.059 -1.023 0.000 0.890 1205 L HN 0.274 nan 8.230 nan 0.000 0.432 1206 F N -1.495 118.299 119.950 -0.260 0.000 2.569 1206 F HA 0.019 4.042 4.527 -0.840 0.000 0.295 1206 F C 1.968 177.735 175.800 -0.056 0.000 1.115 1206 F CA 0.769 58.641 58.000 -0.213 0.000 1.450 1206 F CB -0.229 38.638 39.000 -0.222 0.000 1.107 1206 F HN 0.268 nan 8.300 nan 0.000 0.563 1207 T N -4.238 110.341 114.554 0.042 0.000 3.016 1207 T HA 0.237 4.073 4.350 -0.856 0.000 0.271 1207 T C 0.912 175.602 174.700 -0.017 0.000 0.968 1207 T CA 0.139 62.256 62.100 0.028 0.000 0.891 1207 T CB 0.371 69.260 68.868 0.034 0.000 1.149 1207 T HN 0.116 nan 8.240 nan 0.000 0.524 1208 L N 0.190 121.354 121.223 -0.099 0.000 2.885 1208 L HA 0.525 4.351 4.340 -0.856 0.000 0.263 1208 L C -0.354 176.372 176.870 -0.240 0.000 1.033 1208 L CA 0.400 55.151 54.840 -0.149 0.000 1.051 1208 L CB 0.766 42.716 42.059 -0.182 0.000 1.860 1208 L HN 0.164 nan 8.230 nan 0.000 0.544 1209 E N 1.352 121.369 120.200 -0.305 0.000 2.229 1209 E HA 0.340 4.176 4.350 -0.856 0.000 0.283 1209 E C -0.497 176.007 176.600 -0.160 0.000 1.030 1209 E CA -0.031 56.089 56.400 -0.467 0.000 0.836 1209 E CB 1.092 30.448 29.700 -0.573 0.000 1.068 1209 E HN 0.058 nan 8.360 nan 0.000 0.401 1210 E N 4.072 124.240 120.200 -0.053 0.000 2.302 1210 E HA 0.202 4.038 4.350 -0.856 0.000 0.263 1210 E C -1.285 175.489 176.600 0.291 0.000 0.897 1210 E CA -0.456 56.027 56.400 0.138 0.000 0.809 1210 E CB 0.977 30.716 29.700 0.065 0.000 1.270 1210 E HN 0.428 nan 8.360 nan 0.000 0.410 1211 L N 3.967 125.348 121.223 0.264 0.000 2.305 1211 L HA 0.375 4.201 4.340 -0.856 0.000 0.281 1211 L C -0.197 176.675 176.870 0.002 0.000 1.085 1211 L CA -0.460 54.415 54.840 0.057 0.000 0.813 1211 L CB 0.615 42.658 42.059 -0.026 0.000 1.157 1211 L HN 0.497 nan 8.230 nan 0.000 0.436 1212 H N 2.693 121.599 119.070 -0.272 0.000 2.589 1212 H HA 0.511 4.551 4.556 -0.860 0.000 0.351 1212 H C -1.528 173.579 175.328 -0.369 0.000 1.074 1212 H CA -0.543 55.412 56.048 -0.155 0.000 1.203 1212 H CB 1.064 30.856 29.762 0.050 0.000 1.558 1212 H HN 0.308 nan 8.280 nan 0.000 0.522 1213 Y N 1.530 121.499 120.300 -0.552 0.000 2.549 1213 Y HA 0.352 4.392 4.550 -0.851 0.000 0.339 1213 Y C 0.701 176.198 175.900 -0.672 0.000 1.053 1213 Y CA -0.731 57.054 58.100 -0.524 0.000 1.105 1213 Y CB 1.713 40.022 38.460 -0.253 0.000 1.258 1213 Y HN 0.734 nan 8.280 nan 0.000 0.478 1214 S N 1.245 116.676 115.700 -0.448 0.000 2.600 1214 S HA 0.166 4.122 4.470 -0.856 0.000 0.265 1214 S C -1.896 172.673 174.600 -0.051 0.000 1.325 1214 S CA -0.997 57.099 58.200 -0.172 0.000 1.002 1214 S CB 0.831 63.959 63.200 -0.121 0.000 0.921 1214 S HN 0.499 nan 8.310 nan 0.000 0.554 1215 P HA -0.069 nan 4.420 nan 0.000 0.220 1215 P C 0.448 177.740 177.300 -0.013 0.000 1.144 1215 P CA 1.220 64.325 63.100 0.008 0.000 0.800 1215 P CB -0.116 31.600 31.700 0.027 0.000 0.772 1216 E N -1.663 118.527 120.200 -0.018 0.000 2.479 1216 E HA 0.296 4.133 4.350 -0.856 0.000 0.193 1216 E C 1.326 177.901 176.600 -0.042 0.000 1.049 1216 E CA 0.609 56.993 56.400 -0.026 0.000 0.870 1216 E CB -0.586 29.102 29.700 -0.018 0.000 0.944 1216 E HN 0.206 nan 8.360 nan 0.000 0.492 1217 G N 0.528 109.297 108.800 -0.052 0.000 2.134 1217 G HA2 -0.253 3.193 3.960 -0.856 0.000 0.209 1217 G HA3 -0.253 3.193 3.960 -0.856 0.000 0.209 1217 G C 0.202 175.100 174.900 -0.003 0.000 0.993 1217 G CA 0.245 45.304 45.100 -0.069 0.000 0.669 1217 G HN 0.241 nan 8.290 nan 0.000 0.519 1218 S N -0.100 115.587 115.700 -0.023 0.000 2.429 1218 S HA 0.630 4.586 4.470 -0.856 0.000 0.302 1218 S C 0.344 174.875 174.600 -0.115 0.000 1.115 1218 S CA -0.637 57.542 58.200 -0.035 0.000 1.095 1218 S CB 0.867 64.028 63.200 -0.065 0.000 0.987 1218 S HN 1.210 nan 8.310 nan 0.000 0.474 1219 L N 6.767 127.994 121.223 0.007 0.000 2.462 1219 L HA 0.262 4.089 4.340 -0.856 0.000 0.272 1219 L C 1.010 177.747 176.870 -0.222 0.000 1.166 1219 L CA 0.742 55.462 54.840 -0.200 0.000 0.880 1219 L CB 0.259 42.262 42.059 -0.093 0.000 1.142 1219 L HN 0.787 nan 8.230 nan 0.000 0.473 1220 H N 1.812 120.797 119.070 -0.141 0.000 2.465 1220 H HA 0.087 4.127 4.556 -0.860 0.000 0.289 1220 H C 0.304 175.620 175.328 -0.020 0.000 1.022 1220 H CA 1.000 57.024 56.048 -0.039 0.000 1.340 1220 H CB -0.170 29.606 29.762 0.023 0.000 1.437 1220 H HN 0.679 nan 8.280 nan 0.000 0.539 1221 T N 0.036 114.619 114.554 0.049 0.000 2.794 1221 T HA 0.459 4.296 4.350 -0.856 0.000 0.304 1221 T C 0.743 175.455 174.700 0.019 0.000 0.973 1221 T CA -0.639 61.504 62.100 0.070 0.000 0.972 1221 T CB 0.886 69.819 68.868 0.108 0.000 0.952 1221 T HN 0.200 nan 8.240 nan 0.000 0.509 1222 R N 1.839 122.381 120.500 0.070 0.000 2.592 1222 R HA 0.431 4.257 4.340 -0.856 0.000 0.439 1222 R C 0.514 176.873 176.300 0.098 0.000 0.995 1222 R CA -0.533 55.601 56.100 0.057 0.000 1.141 1222 R CB 1.291 31.625 30.300 0.055 0.000 1.495 1222 R HN 0.850 nan 8.270 nan 0.000 0.579 1223 G N 0.169 109.070 108.800 0.169 0.000 2.506 1223 G HA2 0.178 3.624 3.960 -0.856 0.000 0.292 1223 G HA3 0.178 3.624 3.960 -0.856 0.000 0.292 1223 G C -2.574 172.515 174.900 0.315 0.000 1.425 1223 G CA -0.811 44.428 45.100 0.233 0.000 0.788 1223 G HN -0.311 nan 8.290 nan 0.000 0.490 1224 P HA -0.167 nan 4.420 nan 0.000 0.217 1224 P C 2.026 179.378 177.300 0.086 0.000 1.148 1224 P CA 2.291 65.502 63.100 0.185 0.000 0.828 1224 P CB 0.044 31.860 31.700 0.193 0.000 0.783 1225 S N -0.854 114.904 115.700 0.097 0.000 2.423 1225 S HA -0.085 3.872 4.470 -0.856 0.000 0.231 1225 S C 1.784 176.415 174.600 0.052 0.000 1.014 1225 S CA 1.748 59.981 58.200 0.056 0.000 0.965 1225 S CB -1.629 61.603 63.200 0.054 0.000 0.785 1225 S HN 0.369 nan 8.310 nan 0.000 0.495 1226 T N -3.523 111.086 114.554 0.090 0.000 3.003 1226 T HA 0.295 4.131 4.350 -0.856 0.000 0.261 1226 T C -0.195 174.590 174.700 0.141 0.000 1.003 1226 T CA -0.505 61.650 62.100 0.091 0.000 0.917 1226 T CB -0.311 68.617 68.868 0.101 0.000 1.084 1226 T HN 0.375 nan 8.240 nan 0.000 0.522 1227 Y N 2.585 122.886 120.300 0.001 0.000 2.328 1227 Y HA 0.570 4.545 4.550 -0.960 0.000 0.333 1227 Y C -1.030 174.785 175.900 -0.142 0.000 0.958 1227 Y CA -1.425 56.652 58.100 -0.039 0.000 1.167 1227 Y CB 1.090 39.565 38.460 0.024 0.000 1.151 1227 Y HN -0.168 nan 8.280 nan 0.000 0.470 1228 K N 8.708 128.830 120.400 -0.463 0.000 2.334 1228 K HA 0.314 4.121 4.320 -0.856 0.000 0.265 1228 K C -0.389 175.863 176.600 -0.580 0.000 1.039 1228 K CA -0.426 55.617 56.287 -0.406 0.000 0.920 1228 K CB 0.748 33.093 32.500 -0.257 0.000 1.160 1228 K HN 0.837 nan 8.250 nan 0.000 0.451 1229 I N -0.506 119.716 120.570 -0.581 0.000 2.713 1229 I HA 0.434 4.090 4.170 -0.856 0.000 0.300 1229 I C -2.088 173.827 176.117 -0.337 0.000 1.009 1229 I CA -2.450 58.553 61.300 -0.495 0.000 1.305 1229 I CB 0.292 37.974 38.000 -0.531 0.000 1.430 1229 I HN 0.195 nan 8.210 nan 0.000 0.546 1230 P HA 0.148 nan 4.420 nan 0.000 0.264 1230 P C -0.877 176.313 177.300 -0.184 0.000 1.183 1230 P CA 0.054 63.028 63.100 -0.209 0.000 0.763 1230 P CB 0.553 32.139 31.700 -0.190 0.000 0.807 1231 A N 2.445 125.182 122.820 -0.139 0.000 2.311 1231 A HA 0.494 4.300 4.320 -0.856 0.000 0.334 1231 A C 0.819 178.377 177.584 -0.043 0.000 1.139 1231 A CA -0.607 51.383 52.037 -0.078 0.000 0.830 1231 A CB 0.053 19.037 19.000 -0.025 0.000 1.234 1231 A HN 0.450 nan 8.150 nan 0.000 0.483 1232 F N 1.484 121.417 119.950 -0.028 0.000 2.064 1232 F HA -0.338 3.686 4.527 -0.839 0.000 0.292 1232 F C 2.513 178.300 175.800 -0.022 0.000 1.107 1232 F CA 2.862 60.856 58.000 -0.010 0.000 1.243 1232 F CB -0.535 38.464 39.000 -0.002 0.000 0.949 1232 F HN 0.664 nan 8.300 nan 0.000 0.506 1233 G N -1.827 107.071 108.800 0.163 0.000 2.776 1233 G HA2 -0.037 3.409 3.960 -0.856 0.000 0.209 1233 G HA3 -0.037 3.409 3.960 -0.856 0.000 0.209 1233 G C 1.409 176.296 174.900 -0.022 0.000 1.145 1233 G CA 0.778 45.911 45.100 0.056 0.000 0.791 1233 G HN 0.388 nan 8.290 nan 0.000 0.530 1234 S N 0.167 115.839 115.700 -0.047 0.000 2.425 1234 S HA 0.098 4.054 4.470 -0.856 0.000 0.225 1234 S C 1.307 175.838 174.600 -0.114 0.000 1.024 1234 S CA -0.073 58.063 58.200 -0.107 0.000 0.951 1234 S CB -0.119 63.006 63.200 -0.126 0.000 0.796 1234 S HN 0.635 nan 8.310 nan 0.000 0.498 1235 I N 0.827 121.340 120.570 -0.094 0.000 2.836 1235 I HA 0.292 3.948 4.170 -0.856 0.000 0.285 1235 I C -2.926 173.094 176.117 -0.162 0.000 1.174 1235 I CA -2.263 58.943 61.300 -0.157 0.000 1.405 1235 I CB -0.166 37.778 38.000 -0.093 0.000 1.385 1235 I HN -0.155 nan 8.210 nan 0.000 0.594 1236 P HA 0.070 nan 4.420 nan 0.000 0.265 1236 P C 0.474 177.738 177.300 -0.060 0.000 1.193 1236 P CA -0.029 62.973 63.100 -0.164 0.000 0.765 1236 P CB 0.633 32.203 31.700 -0.217 0.000 0.823 1237 T N 0.318 114.858 114.554 -0.024 0.000 2.699 1237 T HA -0.149 3.687 4.350 -0.856 0.000 0.268 1237 T C 0.731 175.458 174.700 0.045 0.000 1.036 1237 T CA 1.528 63.635 62.100 0.011 0.000 1.147 1237 T CB -0.262 68.603 68.868 -0.004 0.000 0.862 1237 T HN 0.401 nan 8.240 nan 0.000 0.446 1238 E N 0.522 120.747 120.200 0.041 0.000 2.101 1238 E HA 0.389 4.225 4.350 -0.856 0.000 0.260 1238 E C -1.709 174.977 176.600 0.143 0.000 0.897 1238 E CA -0.574 55.869 56.400 0.072 0.000 0.744 1238 E CB 0.345 30.064 29.700 0.032 0.000 1.140 1238 E HN 0.434 nan 8.360 nan 0.000 0.419 1239 F N 4.748 124.674 119.950 -0.040 0.000 2.434 1239 F HA 0.418 4.430 4.527 -0.859 0.000 0.367 1239 F C -0.109 175.641 175.800 -0.083 0.000 1.093 1239 F CA -0.830 57.127 58.000 -0.072 0.000 1.085 1239 F CB 0.564 39.540 39.000 -0.041 0.000 1.322 1239 F HN 0.096 nan 8.300 nan 0.000 0.452 1240 R N 4.645 125.196 120.500 0.086 0.000 2.445 1240 R HA 0.676 4.503 4.340 -0.856 0.000 0.308 1240 R C -1.386 174.831 176.300 -0.138 0.000 0.961 1240 R CA -0.939 55.120 56.100 -0.068 0.000 0.862 1240 R CB 2.735 33.016 30.300 -0.032 0.000 1.144 1240 R HN 0.301 nan 8.270 nan 0.000 0.447 1241 V N 1.780 121.578 119.914 -0.194 0.000 2.638 1241 V HA 0.411 4.018 4.120 -0.856 0.000 0.306 1241 V C -0.541 175.485 176.094 -0.112 0.000 1.052 1241 V CA -0.622 61.571 62.300 -0.178 0.000 0.885 1241 V CB 2.239 33.910 31.823 -0.254 0.000 0.999 1241 V HN 0.780 nan 8.190 nan 0.000 0.424 1242 S N 4.540 120.195 115.700 -0.075 0.000 2.536 1242 S HA 0.735 4.691 4.470 -0.856 0.000 0.287 1242 S C -0.723 173.859 174.600 -0.030 0.000 1.101 1242 S CA -0.612 57.558 58.200 -0.049 0.000 0.950 1242 S CB 1.692 64.870 63.200 -0.037 0.000 1.056 1242 S HN 0.526 nan 8.310 nan 0.000 0.481 1243 L N 2.556 123.767 121.223 -0.021 0.000 2.312 1243 L HA 0.479 4.306 4.340 -0.856 0.000 0.281 1243 L C -0.228 176.644 176.870 0.003 0.000 1.070 1243 L CA -0.829 54.009 54.840 -0.003 0.000 0.805 1243 L CB 0.518 42.575 42.059 -0.002 0.000 1.174 1243 L HN 0.473 nan 8.230 nan 0.000 0.434 1244 L N 4.022 125.255 121.223 0.016 0.000 2.416 1244 L HA 0.235 4.061 4.340 -0.856 0.000 0.272 1244 L C 0.190 177.069 176.870 0.015 0.000 1.161 1244 L CA 0.394 55.244 54.840 0.018 0.000 0.845 1244 L CB 0.248 42.324 42.059 0.030 0.000 1.119 1244 L HN 0.492 nan 8.230 nan 0.000 0.464 1245 R N 4.144 124.650 120.500 0.010 0.000 2.457 1245 R HA 0.266 4.092 4.340 -0.856 0.000 0.284 1245 R C -0.616 175.689 176.300 0.009 0.000 1.024 1245 R CA -0.644 55.460 56.100 0.007 0.000 1.025 1245 R CB 0.530 30.832 30.300 0.003 0.000 1.063 1245 R HN 0.729 nan 8.270 nan 0.000 0.493 1246 D N 0.884 121.288 120.400 0.007 0.000 2.746 1246 D HA -0.126 4.000 4.640 -0.856 0.000 0.241 1246 D C -0.448 175.858 176.300 0.010 0.000 1.140 1246 D CA 0.946 54.950 54.000 0.007 0.000 0.707 1246 D CB -1.120 39.684 40.800 0.006 0.000 1.034 1246 D HN 0.760 nan 8.370 nan 0.000 0.423 1247 C N -1.383 117.924 119.300 0.012 0.000 3.517 1247 C HA 0.391 4.337 4.460 -0.856 0.000 0.202 1247 C C -2.363 172.632 174.990 0.009 0.000 1.370 1247 C CA -1.876 57.151 59.018 0.016 0.000 1.308 1247 C CB 0.357 28.114 27.740 0.028 0.000 1.840 1247 C HN 0.027 nan 8.230 nan 0.000 0.525 1248 P HA 0.084 nan 4.420 nan 0.000 0.265 1248 P C -0.366 176.913 177.300 -0.035 0.000 1.187 1248 P CA 0.795 63.886 63.100 -0.016 0.000 0.766 1248 P CB 0.639 32.332 31.700 -0.013 0.000 0.820 1249 N N 2.127 120.781 118.700 -0.076 0.000 2.501 1249 N HA 0.103 4.329 4.740 -0.856 0.000 0.245 1249 N C 0.687 176.095 175.510 -0.172 0.000 0.974 1249 N CA -0.418 52.541 53.050 -0.153 0.000 0.941 1249 N CB 0.550 38.877 38.487 -0.266 0.000 1.122 1249 N HN 0.080 nan 8.380 nan 0.000 0.507 1250 K N 1.639 121.958 120.400 -0.135 0.000 2.209 1250 K HA -0.031 3.775 4.320 -0.856 0.000 0.204 1250 K C 0.854 177.370 176.600 -0.139 0.000 1.048 1250 K CA 0.944 57.166 56.287 -0.108 0.000 0.940 1250 K CB 0.250 32.710 32.500 -0.067 0.000 0.729 1250 K HN 0.415 nan 8.250 nan 0.000 0.451 1251 K N -0.108 120.142 120.400 -0.250 0.000 2.426 1251 K HA 0.151 3.957 4.320 -0.856 0.000 0.193 1251 K C 0.247 176.788 176.600 -0.097 0.000 1.028 1251 K CA 0.198 56.335 56.287 -0.251 0.000 1.047 1251 K CB 0.766 32.900 32.500 -0.610 0.000 0.821 1251 K HN 0.102 nan 8.250 nan 0.000 0.513 1252 A N 0.639 123.329 122.820 -0.217 0.000 2.566 1252 A HA 0.478 4.285 4.320 -0.856 0.000 0.292 1252 A C -0.809 176.649 177.584 -0.209 0.000 1.112 1252 A CA -0.901 51.039 52.037 -0.161 0.000 0.707 1252 A CB 0.907 19.811 19.000 -0.161 0.000 1.302 1252 A HN 0.120 nan 8.150 nan 0.000 0.409 1253 I N 1.001 121.408 120.570 -0.271 0.000 2.906 1253 I HA 0.040 3.696 4.170 -0.856 0.000 0.301 1253 I C 0.131 176.090 176.117 -0.263 0.000 1.221 1253 I CA 1.299 62.350 61.300 -0.414 0.000 1.435 1253 I CB -0.931 36.797 38.000 -0.455 0.000 1.345 1253 I HN 0.632 nan 8.210 nan 0.000 0.558 1254 Y N 5.905 126.099 120.300 -0.177 0.000 3.152 1254 Y HA -0.274 3.762 4.550 -0.857 0.000 0.212 1254 Y C 1.418 177.258 175.900 -0.099 0.000 1.198 1254 Y CA 0.395 58.423 58.100 -0.120 0.000 1.220 1254 Y CB -1.794 36.614 38.460 -0.086 0.000 1.326 1254 Y HN 1.032 nan 8.280 nan 0.000 0.562 1255 A N -1.082 121.737 122.820 -0.002 0.000 2.847 1255 A HA -0.263 3.543 4.320 -0.856 0.000 0.263 1255 A C 0.978 178.532 177.584 -0.050 0.000 1.391 1255 A CA 1.134 53.147 52.037 -0.041 0.000 0.866 1255 A CB -1.908 17.085 19.000 -0.012 0.000 1.057 1255 A HN 1.286 nan 8.150 nan 0.000 0.673 1256 S N -1.147 114.524 115.700 -0.048 0.000 2.713 1256 S HA 0.817 4.773 4.470 -0.856 0.000 0.277 1256 S C -0.143 174.421 174.600 -0.060 0.000 1.168 1256 S CA -0.291 57.891 58.200 -0.030 0.000 0.994 1256 S CB 1.555 64.759 63.200 0.007 0.000 1.054 1256 S HN 0.536 nan 8.310 nan 0.000 0.555 1257 K N -0.277 120.135 120.400 0.020 0.000 2.469 1257 K HA 0.610 4.416 4.320 -0.856 0.000 0.254 1257 K C -0.841 175.850 176.600 0.151 0.000 0.939 1257 K CA -0.847 55.520 56.287 0.133 0.000 0.812 1257 K CB 2.216 34.819 32.500 0.172 0.000 1.301 1257 K HN 0.860 nan 8.250 nan 0.000 0.433 1258 A N 1.379 124.330 122.820 0.218 0.000 2.546 1258 A HA 0.068 3.875 4.320 -0.856 0.000 0.243 1258 A C 0.683 178.283 177.584 0.026 0.000 1.063 1258 A CA 0.111 52.193 52.037 0.075 0.000 0.757 1258 A CB 0.273 19.275 19.000 0.003 0.000 0.991 1258 A HN 0.539 nan 8.150 nan 0.000 0.503 1259 V N 3.172 123.085 119.914 -0.002 0.000 3.548 1259 V HA 0.222 3.828 4.120 -0.856 0.000 0.279 1259 V C 1.736 177.804 176.094 -0.043 0.000 1.446 1259 V CA 1.570 63.863 62.300 -0.012 0.000 1.023 1259 V CB -0.250 31.582 31.823 0.015 0.000 0.820 1259 V HN 1.067 nan 8.190 nan 0.000 0.438 1260 G N 0.387 109.154 108.800 -0.056 0.000 2.552 1260 G HA2 -0.242 3.205 3.960 -0.856 0.000 0.216 1260 G HA3 -0.242 3.205 3.960 -0.856 0.000 0.216 1260 G C 1.233 176.083 174.900 -0.083 0.000 1.240 1260 G CA 1.379 46.453 45.100 -0.042 0.000 0.796 1260 G HN 0.580 nan 8.290 nan 0.000 0.568 1261 E N 0.681 120.741 120.200 -0.234 0.000 2.122 1261 E HA -0.016 3.820 4.350 -0.856 0.000 0.190 1261 E C -0.065 176.159 176.600 -0.627 0.000 0.977 1261 E CA 0.444 56.603 56.400 -0.402 0.000 0.820 1261 E CB -0.175 29.185 29.700 -0.568 0.000 0.770 1261 E HN 0.334 nan 8.360 nan 0.000 0.462 1262 P HA -0.135 nan 4.420 nan 0.000 0.216 1262 P C -1.693 175.545 177.300 -0.103 0.000 1.150 1262 P CA 1.687 64.477 63.100 -0.516 0.000 0.843 1262 P CB -0.818 30.749 31.700 -0.221 0.000 0.787 1263 P HA -0.035 nan 4.420 nan 0.000 0.225 1263 P C 1.627 179.034 177.300 0.178 0.000 1.156 1263 P CA 0.526 63.697 63.100 0.118 0.000 0.787 1263 P CB -0.408 31.367 31.700 0.125 0.000 0.802 1264 L N -1.109 120.180 121.223 0.110 0.000 2.021 1264 L HA -0.223 3.604 4.340 -0.856 0.000 0.215 1264 L C 2.239 179.227 176.870 0.197 0.000 1.074 1264 L CA 1.823 56.731 54.840 0.114 0.000 0.760 1264 L CB -0.792 41.301 42.059 0.058 0.000 0.889 1264 L HN -0.104 nan 8.230 nan 0.000 0.433 1265 F N -0.177 119.863 119.950 0.151 0.000 2.269 1265 F HA -0.186 3.826 4.527 -0.858 0.000 0.301 1265 F C 1.940 177.890 175.800 0.250 0.000 1.082 1265 F CA 1.292 59.447 58.000 0.258 0.000 1.360 1265 F CB -0.264 38.870 39.000 0.222 0.000 1.041 1265 F HN 0.010 nan 8.300 nan 0.000 0.512 1266 L N -0.111 121.174 121.223 0.104 0.000 2.261 1266 L HA -0.182 3.644 4.340 -0.856 0.000 0.216 1266 L C 2.744 179.695 176.870 0.136 0.000 1.114 1266 L CA 1.009 55.916 54.840 0.111 0.000 0.777 1266 L CB -1.652 40.600 42.059 0.322 0.000 0.910 1266 L HN 0.336 nan 8.230 nan 0.000 0.440 1267 G N 0.171 108.923 108.800 -0.080 0.000 2.475 1267 G HA2 -0.320 3.127 3.960 -0.856 0.000 0.220 1267 G HA3 -0.320 3.127 3.960 -0.856 0.000 0.220 1267 G C 1.740 176.520 174.900 -0.201 0.000 1.125 1267 G CA 0.850 45.645 45.100 -0.509 0.000 0.755 1267 G HN 0.506 nan 8.290 nan 0.000 0.565 1268 A N 1.268 123.869 122.820 -0.365 0.000 2.131 1268 A HA -0.027 3.780 4.320 -0.856 0.000 0.220 1268 A C 2.672 180.199 177.584 -0.094 0.000 1.158 1268 A CA 2.259 53.920 52.037 -0.628 0.000 0.665 1268 A CB -0.645 17.647 19.000 -1.180 0.000 0.795 1268 A HN 0.827 nan 8.150 nan 0.000 0.460 1269 S N -0.462 115.222 115.700 -0.026 0.000 2.402 1269 S HA -0.150 3.806 4.470 -0.856 0.000 0.233 1269 S C 1.654 176.340 174.600 0.144 0.000 1.030 1269 S CA 1.562 59.838 58.200 0.127 0.000 1.003 1269 S CB -0.826 62.474 63.200 0.167 0.000 0.813 1269 S HN 0.278 nan 8.310 nan 0.000 0.477 1270 V N 0.751 120.718 119.914 0.089 0.000 2.488 1270 V HA 0.009 3.615 4.120 -0.856 0.000 0.246 1270 V C 1.999 178.090 176.094 -0.005 0.000 1.046 1270 V CA 1.609 63.937 62.300 0.046 0.000 1.053 1270 V CB -0.941 30.897 31.823 0.025 0.000 0.679 1270 V HN 0.556 nan 8.190 nan 0.000 0.458 1271 F N 0.566 120.406 119.950 -0.184 0.000 2.095 1271 F HA -0.239 3.771 4.527 -0.862 0.000 0.298 1271 F C 1.949 177.536 175.800 -0.356 0.000 1.104 1271 F CA 2.046 59.846 58.000 -0.332 0.000 1.232 1271 F CB -0.248 38.410 39.000 -0.570 0.000 0.987 1271 F HN 0.167 nan 8.300 nan 0.000 0.475 1272 F N -0.247 119.789 119.950 0.143 0.000 2.416 1272 F HA 0.109 4.123 4.527 -0.854 0.000 0.296 1272 F C 2.419 178.211 175.800 -0.014 0.000 1.099 1272 F CA 0.685 58.733 58.000 0.081 0.000 1.427 1272 F CB -0.987 38.069 39.000 0.093 0.000 1.079 1272 F HN 0.028 nan 8.300 nan 0.000 0.536 1273 A N 0.427 123.318 122.820 0.118 0.000 1.933 1273 A HA -0.127 3.679 4.320 -0.856 0.000 0.218 1273 A C 2.183 179.744 177.584 -0.038 0.000 1.175 1273 A CA 1.400 53.463 52.037 0.044 0.000 0.628 1273 A CB -0.947 18.072 19.000 0.032 0.000 0.814 1273 A HN 0.399 nan 8.150 nan 0.000 0.444 1274 I N -0.882 119.604 120.570 -0.140 0.000 2.315 1274 I HA -0.202 3.455 4.170 -0.856 0.000 0.248 1274 I C 2.505 178.520 176.117 -0.170 0.000 1.117 1274 I CA 1.428 62.594 61.300 -0.223 0.000 1.404 1274 I CB -0.184 37.570 38.000 -0.410 0.000 1.071 1274 I HN 0.327 nan 8.210 nan 0.000 0.419 1275 K N 0.721 121.008 120.400 -0.189 0.000 2.148 1275 K HA -0.232 3.575 4.320 -0.856 0.000 0.204 1275 K C 1.629 178.286 176.600 0.095 0.000 1.050 1275 K CA 1.634 57.885 56.287 -0.060 0.000 0.942 1275 K CB -0.012 32.429 32.500 -0.098 0.000 0.724 1275 K HN 0.153 nan 8.250 nan 0.000 0.446 1276 D N -0.023 120.420 120.400 0.072 0.000 2.117 1276 D HA -0.091 4.036 4.640 -0.856 0.000 0.197 1276 D C 1.608 177.945 176.300 0.063 0.000 0.987 1276 D CA 1.289 55.339 54.000 0.083 0.000 0.829 1276 D CB 0.072 40.911 40.800 0.065 0.000 0.961 1276 D HN 0.295 nan 8.370 nan 0.000 0.460 1277 A N -0.202 122.634 122.820 0.027 0.000 1.929 1277 A HA -0.052 3.754 4.320 -0.856 0.000 0.216 1277 A C 2.277 179.878 177.584 0.028 0.000 1.176 1277 A CA 0.809 52.857 52.037 0.019 0.000 0.628 1277 A CB -0.601 18.392 19.000 -0.012 0.000 0.816 1277 A HN 0.301 nan 8.150 nan 0.000 0.444 1278 I N -1.015 119.577 120.570 0.036 0.000 2.315 1278 I HA -0.212 3.445 4.170 -0.856 0.000 0.248 1278 I C 2.698 178.827 176.117 0.020 0.000 1.117 1278 I CA 1.016 62.326 61.300 0.017 0.000 1.404 1278 I CB -0.290 37.732 38.000 0.037 0.000 1.071 1278 I HN 0.248 nan 8.210 nan 0.000 0.419 1279 R N 0.727 121.314 120.500 0.145 0.000 2.083 1279 R HA -0.200 3.626 4.340 -0.856 0.000 0.237 1279 R C 2.475 178.813 176.300 0.063 0.000 1.137 1279 R CA 1.752 57.954 56.100 0.170 0.000 0.951 1279 R CB -0.515 29.909 30.300 0.207 0.000 0.851 1279 R HN 0.396 nan 8.270 nan 0.000 0.434 1280 A N 0.934 123.781 122.820 0.046 0.000 1.883 1280 A HA -0.167 3.639 4.320 -0.856 0.000 0.217 1280 A C 2.345 179.913 177.584 -0.026 0.000 1.186 1280 A CA 1.867 53.913 52.037 0.013 0.000 0.624 1280 A CB -0.751 18.266 19.000 0.027 0.000 0.822 1280 A HN 0.455 nan 8.150 nan 0.000 0.444 1281 A N -0.464 122.345 122.820 -0.018 0.000 1.972 1281 A HA -0.168 3.638 4.320 -0.856 0.000 0.219 1281 A C 2.244 179.799 177.584 -0.049 0.000 1.169 1281 A CA 1.618 53.636 52.037 -0.031 0.000 0.635 1281 A CB -0.420 18.596 19.000 0.026 0.000 0.810 1281 A HN 0.580 nan 8.150 nan 0.000 0.446 1282 R N -0.686 119.777 120.500 -0.062 0.000 2.073 1282 R HA 0.027 3.854 4.340 -0.856 0.000 0.229 1282 R C 2.488 178.760 176.300 -0.046 0.000 1.120 1282 R CA 1.071 57.130 56.100 -0.068 0.000 0.967 1282 R CB -0.440 29.780 30.300 -0.133 0.000 0.862 1282 R HN 0.478 nan 8.270 nan 0.000 0.436 1283 A N 1.004 123.800 122.820 -0.040 0.000 1.978 1283 A HA -0.268 3.539 4.320 -0.856 0.000 0.220 1283 A C 2.101 179.627 177.584 -0.096 0.000 1.170 1283 A CA 1.605 53.616 52.037 -0.042 0.000 0.636 1283 A CB -0.397 18.590 19.000 -0.022 0.000 0.810 1283 A HN 0.299 nan 8.150 nan 0.000 0.448 1284 Q N -1.078 118.623 119.800 -0.165 0.000 1.990 1284 Q HA -0.171 3.655 4.340 -0.856 0.000 0.200 1284 Q C 1.659 177.450 176.000 -0.348 0.000 0.980 1284 Q CA 2.019 57.621 55.803 -0.334 0.000 0.832 1284 Q CB -0.197 28.232 28.738 -0.515 0.000 0.897 1284 Q HN 0.696 nan 8.270 nan 0.000 0.427 1285 H N -1.229 117.770 119.070 -0.118 0.000 2.827 1285 H HA 0.245 4.287 4.556 -0.857 0.000 0.269 1285 H C 0.853 176.147 175.328 -0.055 0.000 1.031 1285 H CA 1.003 56.987 56.048 -0.107 0.000 1.202 1285 H CB 0.670 30.365 29.762 -0.111 0.000 1.511 1285 H HN 0.505 nan 8.280 nan 0.000 0.517 1286 T N -0.887 113.699 114.554 0.053 0.000 1.938 1286 T HA 0.107 3.943 4.350 -0.856 0.000 0.190 1286 T C 1.031 175.738 174.700 0.013 0.000 0.738 1286 T CA -0.460 61.657 62.100 0.028 0.000 1.390 1286 T CB 0.236 69.107 68.868 0.006 0.000 3.294 1286 T HN 0.304 nan 8.240 nan 0.000 0.416 1287 N N 1.033 119.738 118.700 0.009 0.000 2.332 1287 N HA 0.153 4.379 4.740 -0.856 0.000 0.285 1287 N C -0.133 175.381 175.510 0.008 0.000 1.292 1287 N CA -0.615 52.442 53.050 0.012 0.000 0.947 1287 N CB 0.182 38.683 38.487 0.022 0.000 1.084 1287 N HN 0.515 nan 8.380 nan 0.000 0.529 1288 N N -1.028 117.680 118.700 0.014 0.000 2.241 1288 N HA 0.115 4.342 4.740 -0.856 0.000 0.238 1288 N C -0.998 174.527 175.510 0.025 0.000 1.244 1288 N CA -0.221 52.837 53.050 0.012 0.000 0.880 1288 N CB -0.035 38.455 38.487 0.006 0.000 1.179 1288 N HN 0.433 nan 8.380 nan 0.000 0.513 1289 N N 1.364 120.088 118.700 0.039 0.000 2.400 1289 N HA 0.007 4.234 4.740 -0.856 0.000 0.267 1289 N C 0.943 176.489 175.510 0.061 0.000 1.208 1289 N CA 0.400 53.482 53.050 0.053 0.000 0.951 1289 N CB 0.946 39.475 38.487 0.070 0.000 1.227 1289 N HN 0.156 nan 8.380 nan 0.000 0.488 1290 T N 0.751 115.336 114.554 0.053 0.000 2.946 1290 T HA -0.136 3.700 4.350 -0.856 0.000 0.271 1290 T C 1.131 175.877 174.700 0.077 0.000 1.104 1290 T CA 1.196 63.332 62.100 0.059 0.000 1.114 1290 T CB 0.175 69.072 68.868 0.049 0.000 0.867 1290 T HN 0.446 nan 8.240 nan 0.000 0.513 1291 K N 0.740 121.188 120.400 0.081 0.000 2.438 1291 K HA 0.189 3.996 4.320 -0.856 0.000 0.205 1291 K C 0.547 177.211 176.600 0.107 0.000 1.033 1291 K CA -0.202 56.141 56.287 0.093 0.000 1.089 1291 K CB 0.722 33.273 32.500 0.085 0.000 0.857 1291 K HN 0.554 nan 8.250 nan 0.000 0.522 1292 E N 1.770 122.041 120.200 0.118 0.000 2.373 1292 E HA 0.152 3.988 4.350 -0.856 0.000 0.263 1292 E C -0.925 175.778 176.600 0.171 0.000 1.073 1292 E CA -0.277 56.207 56.400 0.141 0.000 0.894 1292 E CB 0.679 30.468 29.700 0.148 0.000 1.008 1292 E HN 0.047 nan 8.360 nan 0.000 0.420 1293 L N 4.212 125.535 121.223 0.166 0.000 2.376 1293 L HA 0.459 4.286 4.340 -0.856 0.000 0.275 1293 L C -0.538 176.438 176.870 0.177 0.000 0.987 1293 L CA -1.054 53.861 54.840 0.125 0.000 0.828 1293 L CB 0.744 42.855 42.059 0.088 0.000 1.249 1293 L HN 0.494 nan 8.230 nan 0.000 0.409 1294 F N -0.104 119.906 119.950 0.099 0.000 2.470 1294 F HA 0.705 4.717 4.527 -0.858 0.000 0.329 1294 F C 0.157 176.031 175.800 0.124 0.000 1.072 1294 F CA -1.198 56.860 58.000 0.097 0.000 0.989 1294 F CB 1.009 40.055 39.000 0.077 0.000 1.193 1294 F HN 0.402 nan 8.300 nan 0.000 0.481 1295 R N 2.688 123.299 120.500 0.185 0.000 2.298 1295 R HA 0.539 4.365 4.340 -0.856 0.000 0.310 1295 R C -1.758 174.668 176.300 0.209 0.000 1.068 1295 R CA -0.632 55.552 56.100 0.141 0.000 0.957 1295 R CB 0.870 31.282 30.300 0.187 0.000 1.003 1295 R HN 0.870 nan 8.270 nan 0.000 0.454 1296 L N 5.003 126.315 121.223 0.148 0.000 2.372 1296 L HA 0.402 4.228 4.340 -0.856 0.000 0.273 1296 L C -1.245 175.880 176.870 0.426 0.000 0.989 1296 L CA -0.450 54.549 54.840 0.264 0.000 0.841 1296 L CB 1.557 43.711 42.059 0.159 0.000 1.225 1296 L HN 0.676 nan 8.230 nan 0.000 0.414 1297 D N 1.639 122.286 120.400 0.413 0.000 2.423 1297 D HA 0.311 4.437 4.640 -0.856 0.000 0.255 1297 D C -0.536 176.084 176.300 0.532 0.000 1.174 1297 D CA -0.093 54.193 54.000 0.476 0.000 1.008 1297 D CB 1.716 42.771 40.800 0.424 0.000 1.101 1297 D HN 0.447 nan 8.370 nan 0.000 0.516 1298 S N 0.083 115.997 115.700 0.358 0.000 2.475 1298 S HA 0.543 4.499 4.470 -0.856 0.000 0.298 1298 S C -2.699 171.984 174.600 0.138 0.000 1.119 1298 S CA -1.500 56.790 58.200 0.150 0.000 1.085 1298 S CB 1.178 64.091 63.200 -0.478 0.000 1.028 1298 S HN 0.123 nan 8.310 nan 0.000 0.489 1299 P HA 0.288 nan 4.420 nan 0.000 0.284 1299 P C -1.201 176.209 177.300 0.184 0.000 1.253 1299 P CA -0.569 62.607 63.100 0.127 0.000 0.800 1299 P CB 0.898 32.611 31.700 0.021 0.000 0.961 1300 A N 2.905 125.854 122.820 0.215 0.000 2.899 1300 A HA 0.339 4.145 4.320 -0.856 0.000 0.287 1300 A C 0.983 178.552 177.584 -0.024 0.000 1.715 1300 A CA -0.012 52.037 52.037 0.020 0.000 1.393 1300 A CB -1.463 17.351 19.000 -0.310 0.000 1.070 1300 A HN 0.609 nan 8.150 nan 0.000 0.587 1301 T N -0.278 114.284 114.554 0.013 0.000 2.788 1301 T HA 0.387 4.223 4.350 -0.856 0.000 0.280 1301 T C -1.565 173.135 174.700 0.001 0.000 0.984 1301 T CA -1.405 60.698 62.100 0.005 0.000 0.972 1301 T CB 0.333 69.204 68.868 0.006 0.000 1.039 1301 T HN 0.177 nan 8.240 nan 0.000 0.530 1302 P HA -0.207 nan 4.420 nan 0.000 0.217 1302 P C 1.545 178.846 177.300 0.000 0.000 1.158 1302 P CA 1.663 64.771 63.100 0.012 0.000 0.887 1302 P CB -0.011 31.692 31.700 0.004 0.000 0.792 1303 E N 0.282 120.480 120.200 -0.003 0.000 2.033 1303 E HA -0.262 3.575 4.350 -0.856 0.000 0.199 1303 E C 1.854 178.461 176.600 0.012 0.000 1.011 1303 E CA 1.640 58.039 56.400 -0.001 0.000 0.815 1303 E CB -0.325 29.372 29.700 -0.005 0.000 0.755 1303 E HN 0.125 nan 8.360 nan 0.000 0.451 1304 K N 0.021 120.434 120.400 0.023 0.000 2.097 1304 K HA -0.100 3.706 4.320 -0.856 0.000 0.206 1304 K C 2.296 178.912 176.600 0.025 0.000 1.049 1304 K CA 1.405 57.717 56.287 0.043 0.000 0.933 1304 K CB -0.138 32.403 32.500 0.069 0.000 0.717 1304 K HN 0.283 nan 8.250 nan 0.000 0.442 1305 I N 0.547 121.113 120.570 -0.007 0.000 2.179 1305 I HA -0.266 3.390 4.170 -0.856 0.000 0.242 1305 I C 2.561 178.671 176.117 -0.011 0.000 1.088 1305 I CA 0.967 62.250 61.300 -0.028 0.000 1.357 1305 I CB -0.138 37.828 38.000 -0.057 0.000 1.051 1305 I HN 0.058 nan 8.210 nan 0.000 0.409 1306 R N 1.567 122.067 120.500 0.000 0.000 2.081 1306 R HA -0.145 3.681 4.340 -0.856 0.000 0.235 1306 R C 1.910 178.217 176.300 0.011 0.000 1.131 1306 R CA 1.692 57.797 56.100 0.009 0.000 0.960 1306 R CB -0.584 29.717 30.300 0.001 0.000 0.856 1306 R HN 0.282 nan 8.270 nan 0.000 0.436 1307 N N 0.023 118.729 118.700 0.010 0.000 2.309 1307 N HA -0.066 4.160 4.740 -0.856 0.000 0.182 1307 N C 1.093 176.600 175.510 -0.004 0.000 1.018 1307 N CA 1.427 54.485 53.050 0.015 0.000 0.876 1307 N CB -0.155 38.347 38.487 0.026 0.000 0.972 1307 N HN 0.373 nan 8.380 nan 0.000 0.434 1308 A N -0.566 122.233 122.820 -0.034 0.000 2.178 1308 A HA 0.069 3.875 4.320 -0.856 0.000 0.211 1308 A C 1.034 178.510 177.584 -0.180 0.000 1.157 1308 A CA -0.028 51.926 52.037 -0.137 0.000 0.780 1308 A CB -0.141 18.755 19.000 -0.174 0.000 0.828 1308 A HN 0.289 nan 8.150 nan 0.000 0.476 1309 C N 1.836 121.094 119.300 -0.069 0.000 3.025 1309 C HA 0.334 4.280 4.460 -0.856 0.000 0.547 1309 C C 0.737 175.752 174.990 0.042 0.000 1.058 1309 C CA -0.872 58.143 59.018 -0.005 0.000 1.164 1309 C CB -2.289 25.491 27.740 0.067 0.000 1.405 1309 C HN 0.312 nan 8.230 nan 0.000 0.610 1310 V N 4.450 124.361 119.914 -0.005 0.000 2.458 1310 V HA 0.139 3.745 4.120 -0.856 0.000 0.287 1310 V C 0.320 176.456 176.094 0.070 0.000 1.009 1310 V CA 1.009 63.324 62.300 0.024 0.000 1.091 1310 V CB -0.044 31.774 31.823 -0.007 0.000 0.960 1310 V HN 0.842 nan 8.190 nan 0.000 0.476 1311 D N 3.421 123.876 120.400 0.091 0.000 2.744 1311 D HA 0.255 4.381 4.640 -0.856 0.000 0.304 1311 D C 0.750 177.052 176.300 0.002 0.000 1.179 1311 D CA -0.737 53.311 54.000 0.079 0.000 1.024 1311 D CB 0.828 41.737 40.800 0.183 0.000 1.453 1311 D HN 0.328 nan 8.370 nan 0.000 0.529 1312 K N -0.539 119.789 120.400 -0.119 0.000 2.362 1312 K HA -0.109 3.698 4.320 -0.856 0.000 0.202 1312 K C 0.961 177.334 176.600 -0.377 0.000 1.045 1312 K CA 1.267 57.386 56.287 -0.281 0.000 0.936 1312 K CB -0.530 31.741 32.500 -0.381 0.000 0.747 1312 K HN 0.314 nan 8.250 nan 0.000 0.467 1313 F N 2.031 121.974 119.950 -0.011 0.000 2.317 1313 F HA -0.031 3.983 4.527 -0.855 0.000 0.290 1313 F C 2.819 178.607 175.800 -0.020 0.000 1.075 1313 F CA 1.167 59.147 58.000 -0.033 0.000 1.380 1313 F CB -0.466 38.491 39.000 -0.071 0.000 1.093 1313 F HN 0.130 nan 8.300 nan 0.000 0.524 1314 T N -2.404 112.248 114.554 0.163 0.000 2.951 1314 T HA -0.052 3.784 4.350 -0.856 0.000 0.268 1314 T C 1.105 175.835 174.700 0.051 0.000 1.073 1314 T CA 0.949 63.105 62.100 0.092 0.000 1.134 1314 T CB -1.209 67.704 68.868 0.075 0.000 0.884 1314 T HN 0.225 nan 8.240 nan 0.000 0.479 1315 T N -0.111 114.461 114.554 0.030 0.000 2.874 1315 T HA 0.534 4.370 4.350 -0.856 0.000 0.281 1315 T C 0.236 174.935 174.700 -0.002 0.000 0.994 1315 T CA -0.971 61.134 62.100 0.008 0.000 1.015 1315 T CB 1.074 69.938 68.868 -0.006 0.000 1.028 1315 T HN 0.036 nan 8.240 nan 0.000 0.523 1316 L N 2.347 123.566 121.223 -0.006 0.000 2.955 1316 L HA 0.273 4.099 4.340 -0.856 0.000 0.238 1316 L C 1.341 178.189 176.870 -0.036 0.000 1.359 1316 L CA 0.509 55.344 54.840 -0.008 0.000 1.214 1316 L CB -1.813 40.248 42.059 0.004 0.000 1.600 1316 L HN 1.139 nan 8.230 nan 0.000 0.442 1317 C N -1.260 117.994 119.300 -0.077 0.000 5.885 1317 C HA -0.250 3.696 4.460 -0.856 0.000 0.328 1317 C C 0.833 175.758 174.990 -0.107 0.000 2.433 1317 C CA 0.359 59.292 59.018 -0.143 0.000 2.197 1317 C CB -1.261 26.382 27.740 -0.162 0.000 3.236 1317 C HN 0.272 nan 8.230 nan 0.000 0.260 1318 V N 1.150 121.023 119.914 -0.068 0.000 4.390 1318 V HA 0.264 3.871 4.120 -0.856 0.000 0.446 1318 V C 0.588 176.661 176.094 -0.034 0.000 1.402 1318 V CA 0.868 63.140 62.300 -0.047 0.000 2.190 1318 V CB 0.434 32.239 31.823 -0.030 0.000 0.650 1318 V HN 0.830 nan 8.190 nan 0.000 0.509 1319 T N 1.716 116.247 114.554 -0.038 0.000 3.048 1319 T HA -0.050 3.786 4.350 -0.856 0.000 0.248 1319 T C 1.714 176.398 174.700 -0.025 0.000 0.765 1319 T CA 1.348 63.427 62.100 -0.036 0.000 3.560 1319 T CB -0.757 68.088 68.868 -0.038 0.000 0.799 1319 T HN 0.876 nan 8.240 nan 0.000 0.281 1320 G N 1.514 110.299 108.800 -0.024 0.000 2.844 1320 G HA2 0.147 3.593 3.960 -0.856 0.000 0.211 1320 G HA3 0.147 3.593 3.960 -0.856 0.000 0.211 1320 G C 0.977 175.868 174.900 -0.016 0.000 1.368 1320 G CA 1.044 46.134 45.100 -0.017 0.000 0.815 1320 G HN 1.153 nan 8.290 nan 0.000 0.649 1321 A N -2.172 120.638 122.820 -0.018 0.000 3.497 1321 A HA 0.270 4.077 4.320 -0.856 0.000 0.196 1321 A C -1.816 175.761 177.584 -0.011 0.000 1.324 1321 A CA 0.620 52.649 52.037 -0.013 0.000 1.267 1321 A CB -1.076 17.919 19.000 -0.008 0.000 0.967 1321 A HN 0.479 nan 8.150 nan 0.000 0.441 1322 P HA 0.289 nan 4.420 nan 0.000 0.274 1322 P C 1.296 178.597 177.300 0.001 0.000 1.224 1322 P CA 1.317 64.417 63.100 -0.000 0.000 0.803 1322 P CB -0.512 31.190 31.700 0.003 0.000 0.876 1323 G N 0.711 109.515 108.800 0.007 0.000 2.557 1323 G HA2 -0.304 3.142 3.960 -0.856 0.000 0.734 1323 G HA3 -0.304 3.142 3.960 -0.856 0.000 0.734 1323 G C 0.264 175.168 174.900 0.007 0.000 1.327 1323 G CA 1.318 46.424 45.100 0.010 0.000 0.910 1323 G HN 0.958 nan 8.290 nan 0.000 0.553 1324 N N 0.000 118.705 118.700 0.009 0.000 1.763 1324 N HA 0.000 4.226 4.740 -0.856 0.000 0.220 1324 N CA 0.000 53.054 53.050 0.008 0.000 0.885 1324 N CB 0.000 38.492 38.487 0.008 0.000 1.341 1324 N HN 0.000 nan 8.380 nan 0.000 0.667