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 3hco_1_B DATA FIRST_RESID 565 DATA SEQUENCE RKPKTGILML NMGGPETLGD VHDFLLRLFL DRDLMTLPIQ NKLAPFIAKR DATA SEQUENCE RTPKIQEQYR RIGGGSPIKI WTSKQGEGMV KLLDELSPNT APHKYYIGFR DATA SEQUENCE YVHPLTEEAI EEMERDGLER AIAFTQYPQY SCSTTGSSLN AIYRYYNQVG DATA SEQUENCE RKPTMKWSTI DRWPTHHLLI QCFADHILKE LDHFPLEKRS EVVILFSAHS DATA SEQUENCE LPMSVVNRGD PYPQEVSATV QKVMERLEYC NPYRLVWQSK VGPMPWLGPQ DATA SEQUENCE TDESIKGLCE RGRKNILLVP IAFTSDHIET LYELDIEYSQ VLAKECGVEN DATA SEQUENCE IRRAESLNGN PLFSKALADL VHSHIQSNEL CSKQLTLSCP LCVNPVCRET DATA SEQUENCE KSFFTSQQL 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 565 R HA 0.000 nan 4.340 nan 0.000 0.208 565 R C 0.000 176.285 176.300 -0.026 0.000 0.893 565 R CA 0.000 56.085 56.100 -0.024 0.000 0.921 565 R CB 0.000 30.282 30.300 -0.031 0.000 0.687 566 K N 2.639 123.026 120.400 -0.023 0.000 2.440 566 K HA 0.124 4.444 4.320 -0.000 0.000 0.270 566 K C -1.969 174.615 176.600 -0.027 0.000 0.980 566 K CA -0.911 55.364 56.287 -0.020 0.000 0.953 566 K CB 0.255 32.747 32.500 -0.014 0.000 0.925 566 K HN 0.341 nan 8.250 nan 0.000 0.497 567 P HA -0.037 nan 4.420 nan 0.000 0.268 567 P C -0.485 176.795 177.300 -0.032 0.000 1.205 567 P CA 0.229 63.315 63.100 -0.023 0.000 0.771 567 P CB 1.115 32.824 31.700 0.014 0.000 0.858 568 K N 1.266 121.624 120.400 -0.071 0.000 2.214 568 K HA 0.088 4.408 4.320 -0.000 0.000 0.201 568 K C 0.036 176.591 176.600 -0.075 0.000 1.049 568 K CA 0.784 57.020 56.287 -0.084 0.000 0.978 568 K CB 0.387 32.811 32.500 -0.125 0.000 0.842 568 K HN 0.382 nan 8.250 nan 0.000 0.474 569 T N 0.638 115.144 114.554 -0.079 0.000 2.815 569 T HA 0.415 4.764 4.350 -0.000 0.000 0.289 569 T C -0.591 174.168 174.700 0.098 0.000 1.000 569 T CA -0.780 61.314 62.100 -0.009 0.000 0.958 569 T CB 1.581 70.457 68.868 0.013 0.000 0.944 569 T HN 0.274 nan 8.240 nan 0.000 0.442 570 G N 2.415 111.263 108.800 0.079 0.000 2.332 570 G HA2 0.610 4.570 3.960 -0.000 0.000 0.310 570 G HA3 0.610 4.570 3.960 -0.000 0.000 0.310 570 G C -0.568 174.434 174.900 0.171 0.000 1.123 570 G CA -0.531 44.694 45.100 0.208 0.000 0.873 570 G HN 0.675 nan 8.290 nan 0.000 0.460 571 I N 2.748 123.506 120.570 0.314 0.000 2.371 571 I HA 0.165 4.334 4.170 -0.000 0.000 0.282 571 I C -0.343 175.985 176.117 0.351 0.000 1.031 571 I CA -0.628 60.844 61.300 0.286 0.000 1.180 571 I CB 1.704 39.865 38.000 0.268 0.000 1.336 571 I HN 0.254 nan 8.210 nan 0.000 0.467 572 L N 7.921 129.324 121.223 0.300 0.000 2.283 572 L HA 0.444 4.784 4.340 -0.000 0.000 0.287 572 L C -0.301 176.725 176.870 0.260 0.000 1.073 572 L CA 0.102 55.117 54.840 0.291 0.000 0.822 572 L CB 0.273 42.528 42.059 0.327 0.000 1.186 572 L HN 0.493 nan 8.230 nan 0.000 0.436 573 M N 6.846 126.553 119.600 0.178 0.000 2.077 573 M HA 0.341 4.821 4.480 -0.000 0.000 0.348 573 M C -0.815 175.506 176.300 0.036 0.000 1.252 573 M CA -0.017 55.311 55.300 0.046 0.000 1.096 573 M CB 0.615 33.206 32.600 -0.015 0.000 1.568 573 M HN 0.447 nan 8.290 nan 0.000 0.456 574 L N 3.851 125.106 121.223 0.054 0.000 2.309 574 L HA 0.604 4.944 4.340 -0.000 0.000 0.282 574 L C 0.053 176.969 176.870 0.078 0.000 1.036 574 L CA -0.482 54.425 54.840 0.111 0.000 0.806 574 L CB 1.140 43.298 42.059 0.165 0.000 1.220 574 L HN 0.699 nan 8.230 nan 0.000 0.429 575 N N 1.413 120.221 118.700 0.180 0.000 3.116 575 N HA 0.302 5.042 4.740 -0.000 0.000 0.244 575 N C 0.132 175.773 175.510 0.218 0.000 1.485 575 N CA -0.580 52.504 53.050 0.056 0.000 0.884 575 N CB 1.597 40.074 38.487 -0.017 0.000 1.415 575 N HN 0.638 nan 8.380 nan 0.000 0.524 576 M N -0.252 119.465 119.600 0.194 0.000 2.419 576 M HA 0.304 4.784 4.480 -0.000 0.000 0.264 576 M C 1.076 177.419 176.300 0.072 0.000 1.082 576 M CA 1.051 56.428 55.300 0.128 0.000 1.119 576 M CB -0.526 32.290 32.600 0.359 0.000 1.398 576 M HN 0.580 nan 8.290 nan 0.000 0.453 577 G N 0.377 109.012 108.800 -0.275 0.000 2.698 577 G HA2 0.145 4.105 3.960 -0.000 0.000 0.233 577 G HA3 0.145 4.105 3.960 -0.000 0.000 0.233 577 G C -0.292 174.395 174.900 -0.355 0.000 1.352 577 G CA -0.546 43.994 45.100 -0.934 0.000 0.879 577 G HN 1.161 nan 8.290 nan 0.000 0.567 578 G N -1.108 107.391 108.800 -0.501 0.000 2.667 578 G HA2 0.790 4.750 3.960 -0.000 0.000 0.294 578 G HA3 0.790 4.750 3.960 -0.000 0.000 0.294 578 G C -3.246 171.244 174.900 -0.683 0.000 1.467 578 G CA 0.142 44.819 45.100 -0.706 0.000 0.852 578 G HN 0.845 nan 8.290 nan 0.000 0.521 579 P HA 0.130 nan 4.420 nan 0.000 0.271 579 P C 0.510 177.541 177.300 -0.447 0.000 1.233 579 P CA 0.124 62.869 63.100 -0.592 0.000 0.764 579 P CB 2.020 33.330 31.700 -0.650 0.000 0.825 580 E N 2.458 122.526 120.200 -0.221 0.000 2.106 580 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 580 E C 0.488 177.014 176.600 -0.122 0.000 0.984 580 E CA 1.096 57.416 56.400 -0.132 0.000 0.806 580 E CB 0.364 30.039 29.700 -0.042 0.000 0.750 580 E HN 0.640 nan 8.360 nan 0.000 0.458 581 T N -4.253 110.229 114.554 -0.119 0.000 2.838 581 T HA 0.301 4.651 4.350 -0.000 0.000 0.292 581 T C 0.986 175.631 174.700 -0.091 0.000 1.113 581 T CA -0.795 61.257 62.100 -0.080 0.000 1.008 581 T CB 0.755 69.604 68.868 -0.032 0.000 1.259 581 T HN 0.004 nan 8.240 nan 0.000 0.520 582 L N 0.567 121.767 121.223 -0.039 0.000 2.275 582 L HA 0.148 4.488 4.340 -0.000 0.000 0.215 582 L C 2.854 179.733 176.870 0.015 0.000 1.119 582 L CA 1.424 56.261 54.840 -0.006 0.000 0.790 582 L CB -0.895 41.185 42.059 0.035 0.000 0.919 582 L HN 0.998 nan 8.230 nan 0.000 0.443 583 G N -0.386 108.422 108.800 0.013 0.000 2.448 583 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 583 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 583 G C 1.098 176.030 174.900 0.053 0.000 1.127 583 G CA 0.572 45.693 45.100 0.034 0.000 0.766 583 G HN 0.347 nan 8.290 nan 0.000 0.552 584 D N 0.228 120.642 120.400 0.023 0.000 2.355 584 D HA 0.020 4.660 4.640 -0.000 0.000 0.218 584 D C 2.502 178.846 176.300 0.073 0.000 1.004 584 D CA 0.037 54.064 54.000 0.044 0.000 0.880 584 D CB 0.475 41.271 40.800 -0.008 0.000 0.911 584 D HN 0.208 nan 8.370 nan 0.000 0.528 585 V N 1.234 121.187 119.914 0.064 0.000 2.261 585 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 585 V C 2.489 178.724 176.094 0.236 0.000 1.047 585 V CA 1.585 63.972 62.300 0.145 0.000 1.015 585 V CB -0.661 31.246 31.823 0.140 0.000 0.642 585 V HN 0.400 nan 8.190 nan 0.000 0.446 586 H N 0.308 119.455 119.070 0.128 0.000 2.319 586 H HA -0.217 4.339 4.556 -0.000 0.000 0.297 586 H C 2.046 177.446 175.328 0.120 0.000 1.097 586 H CA 2.372 58.487 56.048 0.113 0.000 1.285 586 H CB -0.083 29.727 29.762 0.080 0.000 1.368 586 H HN 0.403 nan 8.280 nan 0.000 0.495 587 D N -0.208 120.300 120.400 0.180 0.000 2.194 587 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 587 D C 2.044 178.396 176.300 0.087 0.000 0.964 587 D CA 0.378 54.453 54.000 0.125 0.000 0.846 587 D CB -0.640 40.288 40.800 0.213 0.000 0.962 587 D HN 0.321 nan 8.370 nan 0.000 0.490 588 F N 1.500 121.444 119.950 -0.011 0.000 2.069 588 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 588 F C 1.949 177.678 175.800 -0.118 0.000 1.113 588 F CA 1.363 59.346 58.000 -0.027 0.000 1.214 588 F CB -0.451 38.532 39.000 -0.028 0.000 0.978 588 F HN -0.112 nan 8.300 nan 0.000 0.474 589 L N -0.423 120.669 121.223 -0.219 0.000 2.046 589 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 589 L C 2.491 179.225 176.870 -0.226 0.000 1.077 589 L CA 0.985 55.643 54.840 -0.304 0.000 0.747 589 L CB -0.964 41.099 42.059 0.006 0.000 0.896 589 L HN 0.303 nan 8.230 nan 0.000 0.432 590 L N 0.332 121.419 121.223 -0.227 0.000 1.990 590 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 590 L C 2.743 179.534 176.870 -0.133 0.000 1.072 590 L CA 1.881 56.623 54.840 -0.164 0.000 0.755 590 L CB -0.596 41.347 42.059 -0.194 0.000 0.889 590 L HN 0.116 nan 8.230 nan 0.000 0.432 591 R N -0.969 119.437 120.500 -0.157 0.000 2.152 591 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 591 R C 2.303 178.410 176.300 -0.322 0.000 1.117 591 R CA 1.482 57.525 56.100 -0.095 0.000 0.981 591 R CB -0.480 29.864 30.300 0.074 0.000 0.870 591 R HN 0.445 nan 8.270 nan 0.000 0.451 592 L N -0.165 120.547 121.223 -0.853 0.000 2.044 592 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 592 L C 1.660 178.050 176.870 -0.800 0.000 1.075 592 L CA 1.397 55.379 54.840 -1.431 0.000 0.747 592 L CB -0.121 40.879 42.059 -1.764 0.000 0.903 592 L HN 0.048 nan 8.230 nan 0.000 0.435 593 F N -0.473 119.244 119.950 -0.389 0.000 2.451 593 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 593 F C 2.024 177.740 175.800 -0.140 0.000 1.101 593 F CA 0.662 58.526 58.000 -0.226 0.000 1.436 593 F CB -0.040 38.844 39.000 -0.193 0.000 1.074 593 F HN 0.053 nan 8.300 nan 0.000 0.553 594 L N -0.727 120.494 121.223 -0.004 0.000 2.509 594 L HA -0.022 4.318 4.340 -0.000 0.000 0.222 594 L C 0.455 177.335 176.870 0.016 0.000 1.123 594 L CA 0.117 54.968 54.840 0.018 0.000 0.856 594 L CB -0.230 41.840 42.059 0.020 0.000 0.985 594 L HN -0.102 nan 8.230 nan 0.000 0.456 595 D N 0.757 121.151 120.400 -0.011 0.000 2.348 595 D HA 0.002 4.642 4.640 -0.000 0.000 0.259 595 D C 1.163 177.474 176.300 0.019 0.000 1.296 595 D CA 0.176 54.202 54.000 0.044 0.000 0.931 595 D CB 0.725 41.600 40.800 0.125 0.000 1.067 595 D HN 0.069 nan 8.370 nan 0.000 0.503 596 R N 2.201 122.717 120.500 0.026 0.000 2.235 596 R HA -0.044 4.296 4.340 -0.000 0.000 0.213 596 R C 0.778 177.082 176.300 0.007 0.000 1.059 596 R CA 0.575 56.685 56.100 0.016 0.000 0.997 596 R CB 0.335 30.648 30.300 0.021 0.000 0.884 596 R HN 0.402 nan 8.270 nan 0.000 0.462 597 D N 0.447 120.854 120.400 0.013 0.000 2.312 597 D HA -0.101 4.539 4.640 -0.000 0.000 0.211 597 D C 1.581 177.864 176.300 -0.028 0.000 0.964 597 D CA 0.732 54.730 54.000 -0.002 0.000 0.877 597 D CB 0.245 41.050 40.800 0.007 0.000 0.924 597 D HN 0.139 nan 8.370 nan 0.000 0.515 598 L N -0.219 120.989 121.223 -0.025 0.000 2.262 598 L HA 0.223 4.563 4.340 -0.000 0.000 0.197 598 L C 0.502 177.329 176.870 -0.072 0.000 1.073 598 L CA 0.885 55.690 54.840 -0.060 0.000 0.800 598 L CB 0.091 42.114 42.059 -0.060 0.000 0.987 598 L HN -0.091 nan 8.230 nan 0.000 0.470 599 M N -2.268 117.303 119.600 -0.047 0.000 2.520 599 M HA 0.446 4.926 4.480 -0.000 0.000 0.280 599 M C -0.864 175.433 176.300 -0.005 0.000 1.232 599 M CA -0.537 54.744 55.300 -0.031 0.000 0.892 599 M CB 1.782 34.376 32.600 -0.010 0.000 1.728 599 M HN -0.168 nan 8.290 nan 0.000 0.475 600 T N 2.424 116.977 114.554 -0.002 0.000 2.807 600 T HA 0.781 5.131 4.350 -0.000 0.000 0.279 600 T C -1.329 173.383 174.700 0.020 0.000 0.993 600 T CA -0.497 61.608 62.100 0.009 0.000 0.970 600 T CB 0.813 69.682 68.868 0.001 0.000 0.950 600 T HN 0.666 nan 8.240 nan 0.000 0.441 601 L N 6.368 127.609 121.223 0.030 0.000 2.341 601 L HA 0.656 4.995 4.340 -0.000 0.000 0.267 601 L C -1.991 174.895 176.870 0.027 0.000 1.009 601 L CA -2.420 52.440 54.840 0.034 0.000 0.819 601 L CB 2.361 44.449 42.059 0.049 0.000 1.323 601 L HN 0.508 nan 8.230 nan 0.000 0.425 602 P HA 0.233 nan 4.420 nan 0.000 0.274 602 P C 0.165 177.479 177.300 0.022 0.000 1.231 602 P CA -0.307 62.804 63.100 0.019 0.000 0.790 602 P CB 0.689 32.398 31.700 0.015 0.000 0.951 603 I N -2.439 118.141 120.570 0.017 0.000 5.115 603 I HA -0.334 3.836 4.170 -0.000 0.000 0.126 603 I C 1.249 177.383 176.117 0.029 0.000 1.316 603 I CA 0.725 62.036 61.300 0.018 0.000 2.641 603 I CB -2.013 35.993 38.000 0.010 0.000 2.272 603 I HN 0.398 nan 8.210 nan 0.000 0.321 604 Q N 2.248 122.066 119.800 0.031 0.000 2.061 604 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 604 Q C 1.875 177.901 176.000 0.044 0.000 0.984 604 Q CA 2.517 58.344 55.803 0.040 0.000 0.846 604 Q CB 0.020 28.781 28.738 0.039 0.000 0.902 604 Q HN 0.817 nan 8.270 nan 0.000 0.421 605 N N -0.069 118.654 118.700 0.037 0.000 2.364 605 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 605 N C 1.170 176.706 175.510 0.044 0.000 1.022 605 N CA 0.936 54.009 53.050 0.039 0.000 0.883 605 N CB 0.051 38.557 38.487 0.032 0.000 0.965 605 N HN 0.200 nan 8.380 nan 0.000 0.438 606 K N -0.142 120.283 120.400 0.041 0.000 2.242 606 K HA 0.124 4.443 4.320 -0.000 0.000 0.200 606 K C 1.638 178.282 176.600 0.075 0.000 1.050 606 K CA 0.063 56.376 56.287 0.043 0.000 0.981 606 K CB -0.051 32.459 32.500 0.018 0.000 0.795 606 K HN 0.069 nan 8.250 nan 0.000 0.477 607 L N 1.099 122.369 121.223 0.078 0.000 2.162 607 L HA 0.099 4.439 4.340 -0.000 0.000 0.205 607 L C 2.195 179.108 176.870 0.073 0.000 1.086 607 L CA 1.199 56.113 54.840 0.123 0.000 0.778 607 L CB -0.767 41.344 42.059 0.086 0.000 0.928 607 L HN 0.043 nan 8.230 nan 0.000 0.446 608 A N 0.423 123.268 122.820 0.041 0.000 1.883 608 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 608 A C -0.096 177.480 177.584 -0.013 0.000 1.186 608 A CA 1.994 54.042 52.037 0.018 0.000 0.624 608 A CB -1.976 17.070 19.000 0.077 0.000 0.822 608 A HN 0.346 nan 8.150 nan 0.000 0.444 609 P HA -0.156 nan 4.420 nan 0.000 0.215 609 P C 1.494 178.860 177.300 0.110 0.000 1.153 609 P CA 1.163 64.314 63.100 0.085 0.000 0.853 609 P CB -0.174 31.600 31.700 0.124 0.000 0.788 610 F N 0.408 120.336 119.950 -0.037 0.000 2.113 610 F HA -0.132 4.395 4.527 0.000 0.000 0.297 610 F C 1.981 177.712 175.800 -0.115 0.000 1.103 610 F CA 1.331 59.300 58.000 -0.051 0.000 1.248 610 F CB -1.113 37.853 39.000 -0.057 0.000 0.999 610 F HN -0.247 nan 8.300 nan 0.000 0.475 611 I N 0.670 120.868 120.570 -0.620 0.000 2.179 611 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 611 I C 2.765 178.508 176.117 -0.623 0.000 1.088 611 I CA 1.281 62.051 61.300 -0.882 0.000 1.357 611 I CB -1.086 36.255 38.000 -1.098 0.000 1.051 611 I HN 0.268 nan 8.210 nan 0.000 0.409 612 A N 0.762 123.352 122.820 -0.383 0.000 1.883 612 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 612 A C 2.286 179.821 177.584 -0.082 0.000 1.186 612 A CA 2.269 54.197 52.037 -0.183 0.000 0.624 612 A CB -0.527 18.322 19.000 -0.252 0.000 0.822 612 A HN 0.263 nan 8.150 nan 0.000 0.444 613 K N -0.045 120.363 120.400 0.012 0.000 2.057 613 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 613 K C 2.223 178.827 176.600 0.007 0.000 1.049 613 K CA 1.722 58.098 56.287 0.148 0.000 0.931 613 K CB -0.366 32.238 32.500 0.172 0.000 0.714 613 K HN 0.428 nan 8.250 nan 0.000 0.440 614 R N 0.289 120.688 120.500 -0.169 0.000 2.081 614 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 614 R C 1.697 177.914 176.300 -0.139 0.000 1.131 614 R CA 1.660 57.630 56.100 -0.218 0.000 0.960 614 R CB -0.022 29.955 30.300 -0.538 0.000 0.856 614 R HN 0.149 nan 8.270 nan 0.000 0.436 615 R N -0.888 119.528 120.500 -0.140 0.000 2.300 615 R HA 0.086 4.425 4.340 -0.000 0.000 0.199 615 R C 1.887 178.207 176.300 0.034 0.000 0.920 615 R CA 0.513 56.582 56.100 -0.051 0.000 1.046 615 R CB 0.201 30.482 30.300 -0.032 0.000 0.984 615 R HN 0.170 nan 8.270 nan 0.000 0.493 616 T N 1.948 116.536 114.554 0.056 0.000 2.665 616 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 616 T C -1.049 173.711 174.700 0.099 0.000 1.035 616 T CA 1.417 63.586 62.100 0.115 0.000 1.151 616 T CB -0.710 68.260 68.868 0.169 0.000 0.862 616 T HN 0.175 nan 8.240 nan 0.000 0.438 617 P HA -0.021 nan 4.420 nan 0.000 0.216 617 P C 1.412 178.741 177.300 0.049 0.000 1.153 617 P CA 1.134 64.266 63.100 0.054 0.000 0.848 617 P CB 0.011 31.731 31.700 0.034 0.000 0.787 618 K N -0.337 120.084 120.400 0.035 0.000 2.032 618 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 618 K C 1.875 178.498 176.600 0.037 0.000 1.048 618 K CA 1.528 57.827 56.287 0.020 0.000 0.927 618 K CB -0.541 31.960 32.500 0.002 0.000 0.712 618 K HN -0.078 nan 8.250 nan 0.000 0.441 619 I N 1.216 121.834 120.570 0.081 0.000 2.353 619 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 619 I C 2.209 178.451 176.117 0.208 0.000 1.119 619 I CA 1.313 62.693 61.300 0.134 0.000 1.417 619 I CB -1.258 36.874 38.000 0.221 0.000 1.078 619 I HN 0.328 nan 8.210 nan 0.000 0.421 620 Q N 0.470 120.379 119.800 0.181 0.000 2.061 620 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 620 Q C 2.155 178.233 176.000 0.130 0.000 0.984 620 Q CA 2.045 57.952 55.803 0.173 0.000 0.846 620 Q CB -0.097 28.709 28.738 0.113 0.000 0.902 620 Q HN 0.413 nan 8.270 nan 0.000 0.421 621 E N 0.354 120.598 120.200 0.075 0.000 2.085 621 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 621 E C 1.951 178.559 176.600 0.012 0.000 0.994 621 E CA 1.351 57.774 56.400 0.038 0.000 0.801 621 E CB 0.050 29.760 29.700 0.018 0.000 0.743 621 E HN 0.216 nan 8.360 nan 0.000 0.453 622 Q N -0.665 119.120 119.800 -0.024 0.000 2.084 622 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 622 Q C 2.169 178.069 176.000 -0.165 0.000 0.978 622 Q CA 1.520 57.247 55.803 -0.126 0.000 0.844 622 Q CB -0.550 28.060 28.738 -0.214 0.000 0.898 622 Q HN 0.528 nan 8.270 nan 0.000 0.426 623 Y N 0.620 120.919 120.300 -0.003 0.000 2.242 623 Y HA -0.152 4.398 4.550 -0.000 0.000 0.291 623 Y C 2.694 178.591 175.900 -0.005 0.000 1.137 623 Y CA 1.204 59.298 58.100 -0.010 0.000 1.181 623 Y CB -0.071 38.375 38.460 -0.022 0.000 0.989 623 Y HN 0.070 nan 8.280 nan 0.000 0.527 624 R N 0.483 121.068 120.500 0.141 0.000 2.091 624 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 624 R C 2.049 178.376 176.300 0.045 0.000 1.136 624 R CA 1.294 57.442 56.100 0.080 0.000 0.959 624 R CB -0.010 30.324 30.300 0.056 0.000 0.856 624 R HN 0.138 nan 8.270 nan 0.000 0.437 625 R N 0.741 121.251 120.500 0.016 0.000 2.241 625 R HA -0.110 4.230 4.340 -0.000 0.000 0.224 625 R C 1.785 178.083 176.300 -0.004 0.000 1.101 625 R CA 1.081 57.178 56.100 -0.006 0.000 0.995 625 R CB -0.411 29.869 30.300 -0.033 0.000 0.870 625 R HN 0.529 nan 8.270 nan 0.000 0.463 626 I N -4.429 116.149 120.570 0.013 0.000 3.877 626 I HA 0.457 4.627 4.170 -0.000 0.000 0.332 626 I C 0.619 176.776 176.117 0.067 0.000 1.525 626 I CA 0.242 61.558 61.300 0.027 0.000 1.146 626 I CB 0.826 38.831 38.000 0.009 0.000 1.137 626 I HN 0.080 nan 8.210 nan 0.000 0.424 627 G N 0.879 109.715 108.800 0.061 0.000 2.184 627 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.206 627 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.206 627 G C 0.932 175.869 174.900 0.060 0.000 0.995 627 G CA -0.398 44.736 45.100 0.057 0.000 0.651 627 G HN 1.437 nan 8.290 nan 0.000 0.511 628 G N -1.666 107.186 108.800 0.086 0.000 2.192 628 G HA2 0.519 4.479 3.960 -0.000 0.000 0.193 628 G HA3 0.519 4.479 3.960 -0.000 0.000 0.193 628 G C 1.366 176.295 174.900 0.048 0.000 0.999 628 G CA 0.790 45.930 45.100 0.068 0.000 0.659 628 G HN 2.649 nan 8.290 nan 0.000 0.503 629 G N -1.257 107.593 108.800 0.083 0.000 2.323 629 G HA2 0.596 4.556 3.960 -0.000 0.000 0.291 629 G HA3 0.596 4.556 3.960 -0.000 0.000 0.291 629 G C -0.685 174.239 174.900 0.040 0.000 1.278 629 G CA 0.560 45.617 45.100 -0.070 0.000 0.860 629 G HN 1.565 nan 8.290 nan 0.000 0.504 630 S N 0.556 116.162 115.700 -0.157 0.000 2.480 630 S HA 0.674 5.144 4.470 -0.000 0.000 0.286 630 S C -1.510 173.105 174.600 0.026 0.000 1.180 630 S CA -1.116 57.094 58.200 0.017 0.000 1.075 630 S CB 1.677 64.806 63.200 -0.117 0.000 0.996 630 S HN 0.463 nan 8.310 nan 0.000 0.487 631 P HA 0.190 nan 4.420 nan 0.000 0.261 631 P C 1.329 178.733 177.300 0.173 0.000 1.352 631 P CA -0.145 63.015 63.100 0.101 0.000 0.891 631 P CB -0.089 31.720 31.700 0.181 0.000 1.383 632 I N 0.436 121.118 120.570 0.186 0.000 2.194 632 I HA -0.279 3.891 4.170 -0.000 0.000 0.246 632 I C 2.314 178.592 176.117 0.267 0.000 1.093 632 I CA 1.613 63.035 61.300 0.203 0.000 1.355 632 I CB 0.032 38.041 38.000 0.015 0.000 1.046 632 I HN -0.100 nan 8.210 nan 0.000 0.413 633 K N 0.610 121.150 120.400 0.233 0.000 2.026 633 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 633 K C 1.981 178.691 176.600 0.184 0.000 1.048 633 K CA 1.901 58.413 56.287 0.375 0.000 0.929 633 K CB -0.101 32.601 32.500 0.337 0.000 0.713 633 K HN 0.282 nan 8.250 nan 0.000 0.439 634 I N -0.309 120.278 120.570 0.029 0.000 2.252 634 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 634 I C 2.044 178.097 176.117 -0.107 0.000 1.102 634 I CA 1.349 62.576 61.300 -0.121 0.000 1.385 634 I CB -0.703 37.104 38.000 -0.322 0.000 1.064 634 I HN 0.276 nan 8.210 nan 0.000 0.414 635 W N 0.700 122.039 121.300 0.066 0.000 2.381 635 W HA -0.165 4.494 4.660 -0.000 0.000 0.301 635 W C 2.662 179.198 176.519 0.029 0.000 1.205 635 W CA 1.231 58.605 57.345 0.048 0.000 1.285 635 W CB -0.792 28.701 29.460 0.055 0.000 1.133 635 W HN -0.030 nan 8.180 nan 0.000 0.521 636 T N -0.367 114.358 114.554 0.284 0.000 2.777 636 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 636 T C 1.792 176.461 174.700 -0.052 0.000 1.040 636 T CA 1.736 63.921 62.100 0.142 0.000 1.141 636 T CB -0.579 68.422 68.868 0.223 0.000 0.868 636 T HN 0.016 nan 8.240 nan 0.000 0.444 637 S N 1.461 117.150 115.700 -0.017 0.000 2.353 637 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 637 S C 2.111 176.589 174.600 -0.203 0.000 1.035 637 S CA 1.205 59.334 58.200 -0.118 0.000 1.025 637 S CB -0.289 62.950 63.200 0.066 0.000 0.902 637 S HN 0.299 nan 8.310 nan 0.000 0.440 638 K N 1.446 121.819 120.400 -0.045 0.000 2.034 638 K HA -0.133 4.187 4.320 -0.000 0.000 0.214 638 K C 2.385 178.960 176.600 -0.042 0.000 1.051 638 K CA 1.575 57.864 56.287 0.003 0.000 0.931 638 K CB -0.529 32.058 32.500 0.144 0.000 0.715 638 K HN 0.399 nan 8.250 nan 0.000 0.446 639 Q N -1.139 118.646 119.800 -0.025 0.000 2.061 639 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 639 Q C 2.191 178.037 176.000 -0.257 0.000 0.984 639 Q CA 1.746 57.500 55.803 -0.082 0.000 0.846 639 Q CB -0.432 28.294 28.738 -0.020 0.000 0.902 639 Q HN 0.535 nan 8.270 nan 0.000 0.421 640 G N 0.552 109.049 108.800 -0.504 0.000 2.418 640 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.217 640 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.217 640 G C 1.031 175.551 174.900 -0.633 0.000 1.158 640 G CA 0.848 45.398 45.100 -0.916 0.000 0.771 640 G HN 0.319 nan 8.290 nan 0.000 0.545 641 E N 0.033 119.948 120.200 -0.475 0.000 2.038 641 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 641 E C 2.763 179.332 176.600 -0.052 0.000 1.000 641 E CA 0.862 57.222 56.400 -0.066 0.000 0.803 641 E CB -0.386 29.315 29.700 0.001 0.000 0.750 641 E HN 0.379 nan 8.360 nan 0.000 0.448 642 G N 0.993 109.744 108.800 -0.083 0.000 2.422 642 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 642 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 642 G C 1.502 176.353 174.900 -0.082 0.000 1.146 642 G CA 0.735 45.799 45.100 -0.060 0.000 0.769 642 G HN 0.129 nan 8.290 nan 0.000 0.547 643 M N 0.263 119.793 119.600 -0.118 0.000 2.067 643 M HA -0.065 4.415 4.480 -0.000 0.000 0.260 643 M C 2.543 178.783 176.300 -0.100 0.000 1.069 643 M CA 1.428 56.652 55.300 -0.127 0.000 1.117 643 M CB -0.189 32.331 32.600 -0.133 0.000 1.334 643 M HN 0.096 nan 8.290 nan 0.000 0.407 644 V N 1.094 120.985 119.914 -0.039 0.000 2.295 644 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 644 V C 2.292 178.384 176.094 -0.003 0.000 1.049 644 V CA 1.972 64.281 62.300 0.015 0.000 1.024 644 V CB -0.772 31.131 31.823 0.135 0.000 0.648 644 V HN 0.499 nan 8.190 nan 0.000 0.447 645 K N -0.351 120.046 120.400 -0.006 0.000 2.063 645 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 645 K C 2.028 178.605 176.600 -0.038 0.000 1.048 645 K CA 1.519 57.800 56.287 -0.010 0.000 0.928 645 K CB -0.330 32.165 32.500 -0.009 0.000 0.713 645 K HN 0.399 nan 8.250 nan 0.000 0.442 646 L N 0.568 121.748 121.223 -0.072 0.000 2.109 646 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 646 L C 2.321 179.102 176.870 -0.149 0.000 1.086 646 L CA 0.750 55.529 54.840 -0.101 0.000 0.760 646 L CB -0.375 41.618 42.059 -0.111 0.000 0.910 646 L HN 0.121 nan 8.230 nan 0.000 0.437 647 L N -0.314 120.785 121.223 -0.207 0.000 2.027 647 L HA -0.214 4.126 4.340 -0.000 0.000 0.206 647 L C 2.209 178.972 176.870 -0.179 0.000 1.074 647 L CA 1.061 55.672 54.840 -0.381 0.000 0.745 647 L CB -0.556 41.021 42.059 -0.803 0.000 0.898 647 L HN 0.243 nan 8.230 nan 0.000 0.433 648 D N -0.283 120.138 120.400 0.035 0.000 2.228 648 D HA -0.189 4.451 4.640 -0.000 0.000 0.203 648 D C 2.111 178.450 176.300 0.064 0.000 0.988 648 D CA 1.091 55.199 54.000 0.180 0.000 0.864 648 D CB 0.062 40.938 40.800 0.126 0.000 0.928 648 D HN 0.364 nan 8.370 nan 0.000 0.469 649 E N -0.452 119.741 120.200 -0.011 0.000 2.201 649 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 649 E C 2.519 179.071 176.600 -0.080 0.000 0.957 649 E CA -0.090 56.289 56.400 -0.035 0.000 0.858 649 E CB -0.114 29.561 29.700 -0.043 0.000 0.816 649 E HN 0.303 nan 8.360 nan 0.000 0.475 650 L N 0.609 121.734 121.223 -0.165 0.000 2.017 650 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 650 L C 1.575 178.273 176.870 -0.287 0.000 1.073 650 L CA 1.045 55.676 54.840 -0.347 0.000 0.745 650 L CB -0.031 41.668 42.059 -0.600 0.000 0.894 650 L HN -0.063 nan 8.230 nan 0.000 0.432 651 S N -1.105 114.541 115.700 -0.091 0.000 2.060 651 S HA 0.303 4.772 4.470 -0.000 0.000 0.156 651 S C -1.835 172.855 174.600 0.149 0.000 1.690 651 S CA -1.430 56.831 58.200 0.102 0.000 1.238 651 S CB 0.438 63.782 63.200 0.239 0.000 1.150 651 S HN -0.116 nan 8.310 nan 0.000 0.437 652 P HA -0.100 nan 4.420 nan 0.000 0.216 652 P C 1.533 178.844 177.300 0.019 0.000 1.150 652 P CA 0.792 63.917 63.100 0.042 0.000 0.837 652 P CB 0.084 31.796 31.700 0.020 0.000 0.786 653 N N -0.875 117.843 118.700 0.030 0.000 2.258 653 N HA -0.110 4.630 4.740 -0.000 0.000 0.187 653 N C 1.233 176.734 175.510 -0.015 0.000 1.012 653 N CA 1.962 55.019 53.050 0.011 0.000 0.870 653 N CB -0.200 38.305 38.487 0.029 0.000 0.977 653 N HN 0.273 nan 8.380 nan 0.000 0.434 654 T N -3.443 111.102 114.554 -0.017 0.000 3.044 654 T HA 0.490 4.840 4.350 -0.000 0.000 0.260 654 T C 0.570 175.005 174.700 -0.441 0.000 1.019 654 T CA -0.346 61.688 62.100 -0.109 0.000 0.921 654 T CB 0.372 69.271 68.868 0.052 0.000 1.053 654 T HN 0.162 nan 8.240 nan 0.000 0.533 655 A N 3.028 125.618 122.820 -0.383 0.000 2.445 655 A HA 0.600 4.919 4.320 -0.000 0.000 0.242 655 A C -2.498 174.941 177.584 -0.241 0.000 1.075 655 A CA -1.235 50.547 52.037 -0.425 0.000 0.777 655 A CB -0.173 18.769 19.000 -0.097 0.000 1.013 655 A HN 0.309 nan 8.150 nan 0.000 0.493 656 P HA 0.424 nan 4.420 nan 0.000 0.284 656 P C -1.012 176.149 177.300 -0.232 0.000 1.253 656 P CA -0.084 62.920 63.100 -0.161 0.000 0.800 656 P CB 0.604 32.264 31.700 -0.065 0.000 0.961 657 H N 0.301 119.372 119.070 0.003 0.000 2.467 657 H HA 0.534 5.090 4.556 -0.000 0.000 0.331 657 H C 0.235 175.566 175.328 0.004 0.000 1.120 657 H CA -0.272 55.787 56.048 0.018 0.000 1.270 657 H CB 1.206 30.984 29.762 0.026 0.000 1.466 657 H HN 0.265 nan 8.280 nan 0.000 0.504 658 K N 2.568 123.044 120.400 0.127 0.000 2.443 658 K HA 0.218 4.538 4.320 -0.000 0.000 0.252 658 K C -1.353 175.225 176.600 -0.037 0.000 0.933 658 K CA -0.947 55.306 56.287 -0.056 0.000 0.792 658 K CB 1.080 33.459 32.500 -0.202 0.000 1.185 658 K HN 0.630 nan 8.250 nan 0.000 0.425 659 Y N 1.976 122.196 120.300 -0.134 0.000 2.301 659 Y HA 0.498 5.047 4.550 -0.000 0.000 0.325 659 Y C -1.528 174.217 175.900 -0.259 0.000 1.203 659 Y CA -0.577 57.486 58.100 -0.060 0.000 1.255 659 Y CB 0.617 39.057 38.460 -0.033 0.000 1.232 659 Y HN 0.375 nan 8.280 nan 0.000 0.501 660 Y N 3.706 124.026 120.300 0.034 0.000 2.477 660 Y HA 0.532 5.082 4.550 -0.000 0.000 0.347 660 Y C -0.554 175.377 175.900 0.052 0.000 0.981 660 Y CA -1.396 56.670 58.100 -0.056 0.000 1.033 660 Y CB 1.773 40.205 38.460 -0.046 0.000 1.245 660 Y HN 0.582 nan 8.280 nan 0.000 0.455 661 I N 2.457 123.082 120.570 0.090 0.000 2.315 661 I HA 0.479 4.649 4.170 -0.000 0.000 0.291 661 I C 0.391 176.367 176.117 -0.234 0.000 1.006 661 I CA -0.304 60.903 61.300 -0.154 0.000 1.265 661 I CB 1.153 38.912 38.000 -0.402 0.000 1.387 661 I HN 0.871 nan 8.210 nan 0.000 0.475 662 G N 7.141 115.818 108.800 -0.204 0.000 3.114 662 G HA2 0.496 4.456 3.960 -0.000 0.000 0.320 662 G HA3 0.496 4.456 3.960 -0.000 0.000 0.320 662 G C -0.761 174.138 174.900 -0.002 0.000 1.453 662 G CA -0.293 44.756 45.100 -0.086 0.000 1.084 662 G HN 0.417 nan 8.290 nan 0.000 0.516 663 F N 1.037 121.005 119.950 0.029 0.000 2.385 663 F HA 0.343 4.870 4.527 -0.000 0.000 0.336 663 F C 1.657 177.410 175.800 -0.078 0.000 1.100 663 F CA -1.260 56.740 58.000 0.000 0.000 1.116 663 F CB 2.286 41.313 39.000 0.044 0.000 1.166 663 F HN 0.412 nan 8.300 nan 0.000 0.511 664 R N 1.774 122.271 120.500 -0.005 0.000 2.092 664 R HA -0.102 4.237 4.340 -0.000 0.000 0.231 664 R C 0.656 176.744 176.300 -0.354 0.000 1.119 664 R CA 1.877 57.751 56.100 -0.378 0.000 0.970 664 R CB -0.271 29.476 30.300 -0.920 0.000 0.864 664 R HN 0.739 nan 8.270 nan 0.000 0.440 665 Y N -1.501 118.878 120.300 0.132 0.000 2.527 665 Y HA 0.298 4.848 4.550 -0.000 0.000 0.247 665 Y C -0.115 175.863 175.900 0.130 0.000 1.138 665 Y CA -0.583 57.559 58.100 0.071 0.000 1.228 665 Y CB 1.102 39.525 38.460 -0.060 0.000 1.252 665 Y HN -0.120 nan 8.280 nan 0.000 0.531 666 V N -3.921 116.140 119.914 0.245 0.000 3.159 666 V HA 0.474 4.594 4.120 -0.000 0.000 0.308 666 V C -0.551 175.618 176.094 0.125 0.000 1.190 666 V CA -1.291 61.097 62.300 0.147 0.000 1.037 666 V CB 1.488 33.424 31.823 0.189 0.000 1.060 666 V HN 0.021 nan 8.190 nan 0.000 0.437 667 H N 1.804 121.009 119.070 0.226 0.000 2.815 667 H HA 0.336 4.892 4.556 -0.000 0.000 0.350 667 H C -2.386 173.081 175.328 0.231 0.000 1.080 667 H CA -0.903 55.254 56.048 0.182 0.000 1.433 667 H CB 0.921 30.755 29.762 0.120 0.000 1.432 667 H HN 0.558 nan 8.280 nan 0.000 0.592 668 P HA 0.137 nan 4.420 nan 0.000 0.282 668 P C 0.083 177.433 177.300 0.083 0.000 1.262 668 P CA -0.262 62.921 63.100 0.139 0.000 0.773 668 P CB 0.595 32.309 31.700 0.024 0.000 0.879 669 L N 2.155 123.430 121.223 0.087 0.000 2.453 669 L HA 0.134 4.474 4.340 -0.000 0.000 0.261 669 L C 1.896 178.771 176.870 0.008 0.000 1.179 669 L CA -0.105 54.759 54.840 0.040 0.000 0.813 669 L CB -0.031 42.030 42.059 0.004 0.000 1.110 669 L HN 0.396 nan 8.230 nan 0.000 0.466 670 T N -0.322 114.230 114.554 -0.003 0.000 2.653 670 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 670 T C 1.501 176.133 174.700 -0.113 0.000 1.035 670 T CA 1.870 63.951 62.100 -0.032 0.000 1.154 670 T CB -0.163 68.689 68.868 -0.028 0.000 0.862 670 T HN 0.563 nan 8.240 nan 0.000 0.441 671 E N 0.930 121.064 120.200 -0.110 0.000 2.107 671 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 671 E C 2.307 178.770 176.600 -0.228 0.000 0.982 671 E CA 0.824 57.086 56.400 -0.230 0.000 0.809 671 E CB -0.164 29.566 29.700 0.050 0.000 0.756 671 E HN 0.611 nan 8.360 nan 0.000 0.459 672 E N 0.300 120.463 120.200 -0.061 0.000 2.150 672 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 672 E C 1.968 178.540 176.600 -0.047 0.000 0.985 672 E CA 0.898 57.291 56.400 -0.012 0.000 0.814 672 E CB -0.087 29.657 29.700 0.075 0.000 0.752 672 E HN 0.270 nan 8.360 nan 0.000 0.466 673 A N 0.951 123.733 122.820 -0.062 0.000 1.929 673 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 673 A C 2.130 179.627 177.584 -0.146 0.000 1.176 673 A CA 0.763 52.772 52.037 -0.046 0.000 0.628 673 A CB -0.388 18.611 19.000 -0.002 0.000 0.816 673 A HN 0.106 nan 8.150 nan 0.000 0.444 674 I N -0.553 119.875 120.570 -0.237 0.000 2.202 674 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 674 I C 2.518 178.475 176.117 -0.266 0.000 1.091 674 I CA 1.706 62.839 61.300 -0.279 0.000 1.368 674 I CB -0.283 37.339 38.000 -0.631 0.000 1.058 674 I HN 0.503 nan 8.210 nan 0.000 0.410 675 E N 1.006 121.022 120.200 -0.307 0.000 2.070 675 E HA -0.322 4.028 4.350 -0.000 0.000 0.197 675 E C 2.143 178.722 176.600 -0.035 0.000 1.004 675 E CA 1.700 58.043 56.400 -0.095 0.000 0.805 675 E CB -0.052 29.635 29.700 -0.021 0.000 0.744 675 E HN 0.456 nan 8.360 nan 0.000 0.451 676 E N -0.135 120.041 120.200 -0.039 0.000 2.072 676 E HA -0.206 4.143 4.350 -0.000 0.000 0.191 676 E C 2.162 178.741 176.600 -0.035 0.000 0.985 676 E CA 1.177 57.583 56.400 0.011 0.000 0.801 676 E CB -0.047 29.709 29.700 0.094 0.000 0.750 676 E HN 0.350 nan 8.360 nan 0.000 0.452 677 M N 0.483 119.940 119.600 -0.237 0.000 2.159 677 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 677 M C 2.152 178.359 176.300 -0.155 0.000 1.063 677 M CA 1.302 56.352 55.300 -0.415 0.000 1.110 677 M CB -0.124 32.103 32.600 -0.621 0.000 1.374 677 M HN 0.041 nan 8.290 nan 0.000 0.411 678 E N 0.375 120.540 120.200 -0.059 0.000 2.047 678 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 678 E C 2.068 178.685 176.600 0.028 0.000 0.987 678 E CA 1.190 57.609 56.400 0.032 0.000 0.799 678 E CB -0.213 29.555 29.700 0.113 0.000 0.752 678 E HN 0.549 nan 8.360 nan 0.000 0.449 679 R N 0.800 121.316 120.500 0.027 0.000 2.152 679 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 679 R C 1.638 177.954 176.300 0.027 0.000 1.117 679 R CA 1.052 57.170 56.100 0.031 0.000 0.981 679 R CB -0.093 30.228 30.300 0.034 0.000 0.870 679 R HN 0.067 nan 8.270 nan 0.000 0.451 680 D N -0.164 120.253 120.400 0.029 0.000 2.350 680 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 680 D C 0.877 177.188 176.300 0.017 0.000 0.968 680 D CA 1.011 55.036 54.000 0.041 0.000 0.894 680 D CB -0.112 40.751 40.800 0.105 0.000 0.909 680 D HN 0.397 nan 8.370 nan 0.000 0.520 681 G N 0.941 109.743 108.800 0.003 0.000 2.323 681 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.292 681 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.292 681 G C 0.220 175.106 174.900 -0.023 0.000 1.040 681 G CA 0.053 45.149 45.100 -0.006 0.000 0.942 681 G HN 0.333 nan 8.290 nan 0.000 0.506 682 L N -0.952 120.244 121.223 -0.045 0.000 2.483 682 L HA 0.217 4.557 4.340 -0.000 0.000 0.275 682 L C 1.763 178.585 176.870 -0.081 0.000 1.220 682 L CA -0.016 54.785 54.840 -0.066 0.000 0.833 682 L CB 0.364 42.356 42.059 -0.111 0.000 1.102 682 L HN 0.309 nan 8.230 nan 0.000 0.490 683 E N 0.806 120.961 120.200 -0.075 0.000 2.170 683 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 683 E C 0.503 177.044 176.600 -0.098 0.000 0.981 683 E CA 0.621 56.976 56.400 -0.074 0.000 0.830 683 E CB 0.393 30.058 29.700 -0.059 0.000 0.775 683 E HN 0.368 nan 8.360 nan 0.000 0.470 684 R N -0.214 120.216 120.500 -0.117 0.000 2.651 684 R HA 0.597 4.937 4.340 -0.000 0.000 0.278 684 R C -2.003 174.173 176.300 -0.206 0.000 1.010 684 R CA -0.411 55.613 56.100 -0.127 0.000 0.896 684 R CB 1.979 32.246 30.300 -0.055 0.000 1.211 684 R HN -0.006 nan 8.270 nan 0.000 0.456 685 A N 5.531 128.156 122.820 -0.325 0.000 2.375 685 A HA 0.558 4.878 4.320 -0.000 0.000 0.295 685 A C -1.065 176.368 177.584 -0.252 0.000 1.066 685 A CA -0.686 51.019 52.037 -0.554 0.000 0.722 685 A CB 0.932 19.096 19.000 -1.393 0.000 1.206 685 A HN 0.638 nan 8.150 nan 0.000 0.435 686 I N 2.352 122.918 120.570 -0.005 0.000 2.389 686 I HA 0.485 4.655 4.170 -0.000 0.000 0.288 686 I C 0.649 176.988 176.117 0.371 0.000 0.999 686 I CA -0.570 60.869 61.300 0.231 0.000 1.129 686 I CB 2.045 40.129 38.000 0.140 0.000 1.288 686 I HN 0.722 nan 8.210 nan 0.000 0.444 687 A N 7.567 130.723 122.820 0.559 0.000 2.437 687 A HA 0.314 4.634 4.320 -0.000 0.000 0.303 687 A C -0.622 177.172 177.584 0.350 0.000 1.324 687 A CA -0.028 52.322 52.037 0.521 0.000 0.983 687 A CB -0.286 19.012 19.000 0.496 0.000 1.142 687 A HN 0.739 nan 8.150 nan 0.000 0.541 688 F N 3.992 124.022 119.950 0.133 0.000 2.311 688 F HA 0.296 4.823 4.527 -0.000 0.000 0.371 688 F C 0.682 176.559 175.800 0.129 0.000 1.083 688 F CA -0.689 57.340 58.000 0.048 0.000 1.113 688 F CB 0.753 39.736 39.000 -0.029 0.000 1.349 688 F HN 0.496 nan 8.300 nan 0.000 0.470 689 T N 3.954 118.776 114.554 0.448 0.000 2.930 689 T HA 0.005 4.355 4.350 -0.000 0.000 0.306 689 T C 0.856 175.657 174.700 0.169 0.000 1.045 689 T CA -0.203 62.080 62.100 0.305 0.000 1.134 689 T CB 0.948 70.062 68.868 0.411 0.000 0.961 689 T HN 0.681 nan 8.240 nan 0.000 0.545 690 Q N 3.188 122.972 119.800 -0.026 0.000 2.280 690 Q HA 0.108 4.448 4.340 -0.000 0.000 0.201 690 Q C -0.825 175.063 176.000 -0.187 0.000 0.890 690 Q CA 0.278 56.023 55.803 -0.097 0.000 0.947 690 Q CB 0.182 28.771 28.738 -0.248 0.000 1.081 690 Q HN 0.733 nan 8.270 nan 0.000 0.502 691 Y N 0.599 120.898 120.300 -0.001 0.000 2.367 691 Y HA 0.203 4.753 4.550 -0.000 0.000 0.342 691 Y C -1.397 174.300 175.900 -0.339 0.000 0.979 691 Y CA -2.300 55.729 58.100 -0.118 0.000 1.161 691 Y CB 1.157 39.602 38.460 -0.024 0.000 1.155 691 Y HN 0.002 nan 8.280 nan 0.000 0.503 692 P HA -0.132 nan 4.420 nan 0.000 0.218 692 P C -0.518 176.546 177.300 -0.394 0.000 1.149 692 P CA 1.317 63.742 63.100 -1.124 0.000 0.817 692 P CB 0.337 31.488 31.700 -0.916 0.000 0.785 693 Q N -1.507 118.249 119.800 -0.074 0.000 2.316 693 Q HA 0.342 4.682 4.340 -0.000 0.000 0.264 693 Q C -0.933 175.202 176.000 0.225 0.000 0.987 693 Q CA -0.681 55.170 55.803 0.081 0.000 0.852 693 Q CB 0.897 29.660 28.738 0.042 0.000 1.287 693 Q HN 0.093 nan 8.270 nan 0.000 0.448 694 Y N 1.375 121.746 120.300 0.117 0.000 2.402 694 Y HA 0.360 4.910 4.550 -0.000 0.000 0.333 694 Y C -0.252 175.722 175.900 0.124 0.000 1.076 694 Y CA 0.208 58.366 58.100 0.097 0.000 1.299 694 Y CB 0.775 39.279 38.460 0.074 0.000 1.197 694 Y HN 0.605 nan 8.280 nan 0.000 0.517 695 S N 4.099 119.632 115.700 -0.278 0.000 2.568 695 S HA 0.275 4.745 4.470 -0.000 0.000 0.302 695 S C 0.509 174.765 174.600 -0.574 0.000 1.082 695 S CA -0.917 57.118 58.200 -0.276 0.000 1.009 695 S CB 0.837 63.779 63.200 -0.430 0.000 1.069 695 S HN 0.984 nan 8.310 nan 0.000 0.500 696 C N 2.382 121.551 119.300 -0.219 0.000 2.419 696 C HA -0.023 4.437 4.460 -0.000 0.000 0.281 696 C C 2.901 177.745 174.990 -0.244 0.000 1.336 696 C CA 1.198 60.115 59.018 -0.169 0.000 1.770 696 C CB -1.748 25.995 27.740 0.004 0.000 1.929 696 C HN 0.969 nan 8.230 nan 0.000 0.509 697 S N 0.785 116.315 115.700 -0.283 0.000 2.453 697 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 697 S C 1.343 175.754 174.600 -0.315 0.000 1.005 697 S CA 1.748 59.791 58.200 -0.260 0.000 0.949 697 S CB -0.579 62.458 63.200 -0.272 0.000 0.774 697 S HN 0.795 nan 8.310 nan 0.000 0.510 698 T N -1.463 112.786 114.554 -0.509 0.000 3.479 698 T HA 0.163 4.513 4.350 -0.000 0.000 0.197 698 T C 1.779 176.122 174.700 -0.594 0.000 0.912 698 T CA 0.779 62.426 62.100 -0.755 0.000 1.281 698 T CB -1.081 66.898 68.868 -1.481 0.000 1.588 698 T HN 0.121 nan 8.240 nan 0.000 0.389 699 T N 1.721 115.868 114.554 -0.679 0.000 2.737 699 T HA 0.027 4.377 4.350 -0.000 0.000 0.269 699 T C 2.145 176.670 174.700 -0.292 0.000 1.040 699 T CA 1.694 63.594 62.100 -0.333 0.000 1.142 699 T CB -1.198 67.471 68.868 -0.332 0.000 0.861 699 T HN 0.639 nan 8.240 nan 0.000 0.456 700 G N 0.584 109.090 108.800 -0.490 0.000 2.459 700 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 700 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 700 G C 1.856 176.720 174.900 -0.060 0.000 1.183 700 G CA 1.260 46.265 45.100 -0.158 0.000 0.776 700 G HN 0.523 nan 8.290 nan 0.000 0.552 701 S N 0.247 115.882 115.700 -0.108 0.000 2.359 701 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 701 S C 2.686 177.270 174.600 -0.025 0.000 1.035 701 S CA 2.017 60.187 58.200 -0.052 0.000 1.018 701 S CB -0.489 62.675 63.200 -0.060 0.000 0.876 701 S HN 0.308 nan 8.310 nan 0.000 0.448 702 S N 1.275 116.961 115.700 -0.024 0.000 2.370 702 S HA 0.013 4.483 4.470 -0.000 0.000 0.226 702 S C 1.780 176.416 174.600 0.060 0.000 1.033 702 S CA 1.430 59.647 58.200 0.028 0.000 1.011 702 S CB -0.449 62.810 63.200 0.098 0.000 0.852 702 S HN 0.470 nan 8.310 nan 0.000 0.457 703 L N 1.276 122.548 121.223 0.083 0.000 2.072 703 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 703 L C 2.084 179.042 176.870 0.148 0.000 1.079 703 L CA 0.795 55.731 54.840 0.160 0.000 0.752 703 L CB -0.649 41.518 42.059 0.179 0.000 0.906 703 L HN 0.213 nan 8.230 nan 0.000 0.436 704 N N 0.546 119.306 118.700 0.100 0.000 2.205 704 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 704 N C 1.822 177.378 175.510 0.078 0.000 1.015 704 N CA 1.423 54.531 53.050 0.096 0.000 0.862 704 N CB -0.270 38.258 38.487 0.068 0.000 0.986 704 N HN 0.305 nan 8.380 nan 0.000 0.429 705 A N 0.673 123.514 122.820 0.034 0.000 1.969 705 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 705 A C 2.224 179.784 177.584 -0.041 0.000 1.169 705 A CA 0.756 52.796 52.037 0.005 0.000 0.635 705 A CB -0.501 18.494 19.000 -0.008 0.000 0.810 705 A HN 0.227 nan 8.150 nan 0.000 0.445 706 I N -1.956 118.563 120.570 -0.085 0.000 2.202 706 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 706 I C 2.504 178.406 176.117 -0.359 0.000 1.091 706 I CA 1.837 62.994 61.300 -0.239 0.000 1.368 706 I CB -0.549 37.261 38.000 -0.316 0.000 1.058 706 I HN 0.557 nan 8.210 nan 0.000 0.410 707 Y N 2.079 122.059 120.300 -0.532 0.000 2.145 707 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 707 Y C 2.732 178.484 175.900 -0.246 0.000 1.145 707 Y CA 1.467 59.194 58.100 -0.622 0.000 1.148 707 Y CB -0.217 37.955 38.460 -0.479 0.000 0.981 707 Y HN -0.070 nan 8.280 nan 0.000 0.507 708 R N -0.576 119.800 120.500 -0.206 0.000 2.127 708 R HA -0.227 4.113 4.340 -0.000 0.000 0.238 708 R C 2.088 178.243 176.300 -0.243 0.000 1.134 708 R CA 1.623 57.593 56.100 -0.216 0.000 0.975 708 R CB -1.227 29.063 30.300 -0.017 0.000 0.865 708 R HN 0.541 nan 8.270 nan 0.000 0.447 709 Y N 0.517 120.633 120.300 -0.308 0.000 2.070 709 Y HA -0.301 4.249 4.550 -0.000 0.000 0.280 709 Y C 1.942 177.627 175.900 -0.359 0.000 1.148 709 Y CA 1.654 59.552 58.100 -0.337 0.000 1.125 709 Y CB -0.686 37.513 38.460 -0.436 0.000 0.975 709 Y HN -0.023 nan 8.280 nan 0.000 0.492 710 Y N 0.069 120.211 120.300 -0.263 0.000 2.293 710 Y HA -0.224 4.325 4.550 -0.000 0.000 0.291 710 Y C 2.713 178.401 175.900 -0.354 0.000 1.137 710 Y CA 1.624 59.565 58.100 -0.265 0.000 1.202 710 Y CB -0.517 37.890 38.460 -0.088 0.000 0.990 710 Y HN 0.282 nan 8.280 nan 0.000 0.537 711 N N 0.155 118.643 118.700 -0.354 0.000 2.270 711 N HA -0.202 4.538 4.740 -0.000 0.000 0.181 711 N C 1.903 177.265 175.510 -0.246 0.000 1.016 711 N CA 0.810 53.653 53.050 -0.346 0.000 0.870 711 N CB -0.026 38.113 38.487 -0.580 0.000 0.979 711 N HN 0.490 nan 8.380 nan 0.000 0.431 712 Q N 0.771 120.400 119.800 -0.284 0.000 2.049 712 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 712 Q C 1.928 177.782 176.000 -0.243 0.000 0.971 712 Q CA 1.402 57.067 55.803 -0.230 0.000 0.833 712 Q CB 0.147 28.752 28.738 -0.221 0.000 0.896 712 Q HN 0.325 nan 8.270 nan 0.000 0.434 713 V N -2.357 117.336 119.914 -0.369 0.000 3.510 713 V HA 0.218 4.338 4.120 -0.000 0.000 0.270 713 V C 1.131 177.127 176.094 -0.164 0.000 1.201 713 V CA 0.991 63.105 62.300 -0.309 0.000 1.166 713 V CB -0.968 30.564 31.823 -0.484 0.000 0.825 713 V HN 0.471 nan 8.190 nan 0.000 0.484 714 G N 1.413 110.130 108.800 -0.138 0.000 2.269 714 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.277 714 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.277 714 G C 0.342 175.228 174.900 -0.023 0.000 1.008 714 G CA 1.057 46.115 45.100 -0.070 0.000 0.774 714 G HN 1.078 nan 8.290 nan 0.000 0.511 715 R N -1.621 118.883 120.500 0.008 0.000 2.869 715 R HA 0.745 5.085 4.340 -0.000 0.000 0.263 715 R C -0.513 175.883 176.300 0.161 0.000 1.066 715 R CA -1.206 54.938 56.100 0.073 0.000 0.960 715 R CB 1.223 31.569 30.300 0.077 0.000 1.221 715 R HN 0.106 nan 8.270 nan 0.000 0.474 716 K N 0.860 121.326 120.400 0.109 0.000 2.098 716 K HA 0.384 4.704 4.320 -0.000 0.000 0.261 716 K C -2.330 174.278 176.600 0.013 0.000 0.987 716 K CA -1.835 54.467 56.287 0.025 0.000 0.916 716 K CB 0.922 33.417 32.500 -0.008 0.000 1.039 716 K HN 0.365 nan 8.250 nan 0.000 0.455 717 P HA -0.053 nan 4.420 nan 0.000 0.266 717 P C 0.359 177.698 177.300 0.064 0.000 1.195 717 P CA 0.096 63.122 63.100 -0.124 0.000 0.768 717 P CB 0.468 32.050 31.700 -0.198 0.000 0.838 718 T N -1.532 113.113 114.554 0.152 0.000 3.086 718 T HA 0.304 4.654 4.350 -0.000 0.000 0.250 718 T C 0.538 175.254 174.700 0.027 0.000 1.074 718 T CA 0.061 62.207 62.100 0.078 0.000 0.988 718 T CB -0.413 68.506 68.868 0.085 0.000 0.988 718 T HN 0.227 nan 8.240 nan 0.000 0.530 719 M N 0.535 120.144 119.600 0.016 0.000 2.591 719 M HA 0.545 5.025 4.480 -0.000 0.000 0.306 719 M C -0.762 175.474 176.300 -0.107 0.000 1.190 719 M CA -1.132 54.103 55.300 -0.108 0.000 0.889 719 M CB 2.247 34.676 32.600 -0.284 0.000 1.728 719 M HN -0.296 nan 8.290 nan 0.000 0.458 720 K N 1.337 121.662 120.400 -0.127 0.000 2.338 720 K HA 0.226 4.546 4.320 -0.000 0.000 0.290 720 K C -1.779 174.787 176.600 -0.056 0.000 1.069 720 K CA 0.406 56.654 56.287 -0.065 0.000 0.941 720 K CB 0.331 32.799 32.500 -0.054 0.000 1.023 720 K HN 0.393 nan 8.250 nan 0.000 0.477 721 W N 2.294 123.584 121.300 -0.017 0.000 2.449 721 W HA 0.362 5.022 4.660 -0.000 0.000 0.331 721 W C 0.280 176.931 176.519 0.219 0.000 1.119 721 W CA -0.098 57.318 57.345 0.118 0.000 1.240 721 W CB 1.453 30.970 29.460 0.095 0.000 1.251 721 W HN 0.637 nan 8.180 nan 0.000 0.576 722 S N 0.474 116.574 115.700 0.667 0.000 2.671 722 S HA 0.794 5.263 4.470 -0.000 0.000 0.277 722 S C -1.031 173.900 174.600 0.553 0.000 1.165 722 S CA -0.939 57.628 58.200 0.611 0.000 0.822 722 S CB 2.024 65.509 63.200 0.475 0.000 1.150 722 S HN 0.379 nan 8.310 nan 0.000 0.479 723 T N 0.303 115.004 114.554 0.244 0.000 2.912 723 T HA 0.615 4.965 4.350 -0.000 0.000 0.299 723 T C -1.474 173.119 174.700 -0.178 0.000 1.052 723 T CA -0.720 61.344 62.100 -0.059 0.000 0.996 723 T CB 0.706 69.268 68.868 -0.510 0.000 1.070 723 T HN 0.620 nan 8.240 nan 0.000 0.465 724 I N 5.287 125.712 120.570 -0.242 0.000 2.310 724 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 724 I C 0.982 177.200 176.117 0.167 0.000 1.073 724 I CA -0.432 60.755 61.300 -0.189 0.000 1.216 724 I CB 0.922 38.648 38.000 -0.458 0.000 1.415 724 I HN 0.733 nan 8.210 nan 0.000 0.480 725 D N 6.841 127.343 120.400 0.171 0.000 2.350 725 D HA 0.023 4.663 4.640 -0.000 0.000 0.213 725 D C 0.510 177.057 176.300 0.410 0.000 1.031 725 D CA -0.007 54.152 54.000 0.265 0.000 0.861 725 D CB 0.695 41.591 40.800 0.161 0.000 0.926 725 D HN 0.544 nan 8.370 nan 0.000 0.520 726 R N -0.742 120.019 120.500 0.434 0.000 2.709 726 R HA 0.343 4.683 4.340 -0.000 0.000 0.270 726 R C -1.746 174.890 176.300 0.560 0.000 1.038 726 R CA -0.999 55.347 56.100 0.410 0.000 0.872 726 R CB 0.258 30.728 30.300 0.283 0.000 1.259 726 R HN 0.127 nan 8.270 nan 0.000 0.473 727 W N 0.427 121.851 121.300 0.208 0.000 0.885 727 W HA 0.260 4.920 4.660 -0.000 0.000 0.320 727 W C -2.717 173.930 176.519 0.212 0.000 0.884 727 W CA -1.620 55.846 57.345 0.202 0.000 1.281 727 W CB -0.081 29.504 29.460 0.207 0.000 1.324 727 W HN 0.494 nan 8.180 nan 0.000 0.495 728 P HA -0.069 nan 4.420 nan 0.000 0.229 728 P C 1.217 178.592 177.300 0.125 0.000 1.160 728 P CA 1.856 64.992 63.100 0.059 0.000 0.777 728 P CB 0.102 31.821 31.700 0.032 0.000 0.814 729 T N -5.904 108.769 114.554 0.199 0.000 3.231 729 T HA 0.052 4.402 4.350 -0.000 0.000 0.292 729 T C 0.595 175.438 174.700 0.239 0.000 1.001 729 T CA -0.482 61.720 62.100 0.170 0.000 0.920 729 T CB -1.098 67.830 68.868 0.100 0.000 1.140 729 T HN 0.100 nan 8.240 nan 0.000 0.525 730 H N 2.609 121.855 119.070 0.294 0.000 3.140 730 H HA -0.071 4.485 4.556 -0.000 0.000 0.316 730 H C 1.532 177.013 175.328 0.255 0.000 0.986 730 H CA 1.534 57.769 56.048 0.310 0.000 1.397 730 H CB 0.624 30.612 29.762 0.377 0.000 1.377 730 H HN 0.752 nan 8.280 nan 0.000 0.585 731 H N 3.263 122.022 119.070 -0.518 0.000 2.422 731 H HA -0.107 4.448 4.556 -0.000 0.000 0.298 731 H C 1.765 177.051 175.328 -0.070 0.000 1.098 731 H CA 1.446 57.357 56.048 -0.228 0.000 1.315 731 H CB 0.098 29.727 29.762 -0.221 0.000 1.382 731 H HN 0.504 nan 8.280 nan 0.000 0.523 732 L N -0.188 120.760 121.223 -0.458 0.000 2.209 732 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 732 L C 2.432 179.369 176.870 0.111 0.000 1.094 732 L CA 0.427 55.180 54.840 -0.145 0.000 0.790 732 L CB -0.200 41.797 42.059 -0.104 0.000 0.932 732 L HN 0.284 nan 8.230 nan 0.000 0.447 733 L N 0.250 121.671 121.223 0.331 0.000 2.012 733 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 733 L C 2.422 179.380 176.870 0.147 0.000 1.073 733 L CA 1.847 56.862 54.840 0.291 0.000 0.748 733 L CB -0.393 41.982 42.059 0.526 0.000 0.891 733 L HN 0.040 nan 8.230 nan 0.000 0.431 734 I N -0.223 120.477 120.570 0.217 0.000 2.179 734 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 734 I C 2.605 178.803 176.117 0.136 0.000 1.088 734 I CA 1.700 63.129 61.300 0.216 0.000 1.357 734 I CB -1.512 36.569 38.000 0.135 0.000 1.051 734 I HN 0.567 nan 8.210 nan 0.000 0.409 735 Q N 0.159 120.001 119.800 0.070 0.000 2.112 735 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 735 Q C 2.615 178.621 176.000 0.010 0.000 0.987 735 Q CA 2.576 58.402 55.803 0.038 0.000 0.858 735 Q CB -0.044 28.703 28.738 0.016 0.000 0.905 735 Q HN 0.526 nan 8.270 nan 0.000 0.420 736 C N -0.220 119.043 119.300 -0.062 0.000 2.413 736 C HA -0.152 4.308 4.460 -0.000 0.000 0.276 736 C C 2.313 177.142 174.990 -0.269 0.000 1.236 736 C CA 0.793 59.675 59.018 -0.225 0.000 1.735 736 C CB -1.326 26.171 27.740 -0.405 0.000 2.031 736 C HN 0.579 nan 8.230 nan 0.000 0.474 737 F N 1.353 121.226 119.950 -0.128 0.000 2.134 737 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 737 F C 2.589 178.383 175.800 -0.009 0.000 1.097 737 F CA 1.293 59.241 58.000 -0.087 0.000 1.264 737 F CB -0.525 38.463 39.000 -0.019 0.000 1.001 737 F HN 0.180 nan 8.300 nan 0.000 0.479 738 A N -0.116 122.823 122.820 0.198 0.000 1.933 738 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 738 A C 1.839 179.481 177.584 0.098 0.000 1.175 738 A CA 2.008 54.115 52.037 0.117 0.000 0.628 738 A CB -0.716 18.325 19.000 0.068 0.000 0.814 738 A HN 0.259 nan 8.150 nan 0.000 0.444 739 D N -0.804 119.656 120.400 0.099 0.000 2.097 739 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 739 D C 1.726 178.131 176.300 0.176 0.000 0.989 739 D CA 1.361 55.431 54.000 0.116 0.000 0.827 739 D CB -0.595 40.281 40.800 0.125 0.000 0.966 739 D HN 0.707 nan 8.370 nan 0.000 0.456 740 H N -0.179 118.895 119.070 0.007 0.000 2.423 740 H HA 0.024 4.580 4.556 -0.000 0.000 0.297 740 H C 2.268 177.593 175.328 -0.004 0.000 1.075 740 H CA 0.272 56.317 56.048 -0.006 0.000 1.342 740 H CB 0.343 30.104 29.762 -0.001 0.000 1.395 740 H HN 0.131 nan 8.280 nan 0.000 0.530 741 I N 0.695 121.352 120.570 0.144 0.000 2.202 741 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 741 I C 2.258 178.381 176.117 0.010 0.000 1.091 741 I CA 0.876 62.206 61.300 0.050 0.000 1.368 741 I CB -0.105 37.910 38.000 0.025 0.000 1.058 741 I HN 0.192 nan 8.210 nan 0.000 0.410 742 L N 0.611 121.843 121.223 0.015 0.000 2.046 742 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 742 L C 2.682 179.522 176.870 -0.050 0.000 1.077 742 L CA 1.398 56.233 54.840 -0.009 0.000 0.747 742 L CB -0.653 41.408 42.059 0.004 0.000 0.896 742 L HN 0.252 nan 8.230 nan 0.000 0.432 743 K N 0.323 120.678 120.400 -0.076 0.000 2.057 743 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 743 K C 1.998 178.369 176.600 -0.381 0.000 1.049 743 K CA 1.816 57.992 56.287 -0.184 0.000 0.931 743 K CB 0.100 32.498 32.500 -0.170 0.000 0.714 743 K HN 0.120 nan 8.250 nan 0.000 0.440 744 E N 0.873 120.933 120.200 -0.233 0.000 2.112 744 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 744 E C 2.052 178.661 176.600 0.014 0.000 0.979 744 E CA 0.590 56.869 56.400 -0.202 0.000 0.814 744 E CB -0.117 29.579 29.700 -0.006 0.000 0.762 744 E HN 0.286 nan 8.360 nan 0.000 0.460 745 L N 0.751 122.020 121.223 0.077 0.000 2.079 745 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 745 L C 1.737 178.729 176.870 0.203 0.000 1.081 745 L CA 1.414 56.364 54.840 0.184 0.000 0.752 745 L CB -0.410 41.657 42.059 0.014 0.000 0.896 745 L HN 0.153 nan 8.230 nan 0.000 0.433 746 D N -0.757 119.650 120.400 0.012 0.000 2.228 746 D HA -0.199 4.440 4.640 -0.000 0.000 0.203 746 D C 1.823 178.189 176.300 0.110 0.000 0.988 746 D CA 1.305 55.313 54.000 0.015 0.000 0.864 746 D CB -0.232 40.529 40.800 -0.065 0.000 0.928 746 D HN 0.543 nan 8.370 nan 0.000 0.469 747 H N -1.898 117.201 119.070 0.049 0.000 2.556 747 H HA 0.086 4.642 4.556 -0.000 0.000 0.268 747 H C 0.132 175.363 175.328 -0.163 0.000 0.996 747 H CA -0.592 55.406 56.048 -0.083 0.000 1.157 747 H CB 0.131 29.789 29.762 -0.173 0.000 1.355 747 H HN 0.039 nan 8.280 nan 0.000 0.597 748 F N 1.310 121.305 119.950 0.076 0.000 2.377 748 F HA 0.258 4.785 4.527 -0.000 0.000 0.328 748 F C -1.805 174.012 175.800 0.027 0.000 1.094 748 F CA -3.219 54.803 58.000 0.036 0.000 1.093 748 F CB 0.450 39.456 39.000 0.010 0.000 1.214 748 F HN -0.127 nan 8.300 nan 0.000 0.518 749 P HA -0.049 nan 4.420 nan 0.000 0.266 749 P C 0.762 178.127 177.300 0.109 0.000 1.195 749 P CA -0.048 63.120 63.100 0.113 0.000 0.768 749 P CB 0.569 32.321 31.700 0.086 0.000 0.838 750 L N 3.654 124.922 121.223 0.075 0.000 2.081 750 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 750 L C 1.603 178.498 176.870 0.042 0.000 1.080 750 L CA 2.103 56.977 54.840 0.056 0.000 0.754 750 L CB -0.859 41.225 42.059 0.041 0.000 0.893 750 L HN 0.293 nan 8.230 nan 0.000 0.433 751 E N -0.649 119.575 120.200 0.040 0.000 2.347 751 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 751 E C 1.576 178.189 176.600 0.023 0.000 1.008 751 E CA 0.652 57.068 56.400 0.027 0.000 0.852 751 E CB 0.022 29.736 29.700 0.024 0.000 0.783 751 E HN 0.363 nan 8.360 nan 0.000 0.505 752 K N -0.362 120.060 120.400 0.037 0.000 2.380 752 K HA 0.185 4.504 4.320 -0.000 0.000 0.198 752 K C 1.608 178.196 176.600 -0.020 0.000 1.070 752 K CA -0.083 56.218 56.287 0.024 0.000 1.040 752 K CB 0.367 32.909 32.500 0.069 0.000 0.903 752 K HN -0.002 nan 8.250 nan 0.000 0.549 753 R N 1.731 122.229 120.500 -0.003 0.000 2.113 753 R HA -0.164 4.176 4.340 -0.000 0.000 0.244 753 R C 2.022 178.257 176.300 -0.109 0.000 1.142 753 R CA 2.435 58.500 56.100 -0.058 0.000 0.953 753 R CB -0.146 30.153 30.300 -0.003 0.000 0.860 753 R HN 0.208 nan 8.270 nan 0.000 0.438 754 S N -0.498 115.167 115.700 -0.060 0.000 2.474 754 S HA -0.122 4.348 4.470 -0.000 0.000 0.235 754 S C 1.637 176.196 174.600 -0.068 0.000 0.997 754 S CA 1.319 59.487 58.200 -0.052 0.000 0.949 754 S CB 0.076 63.262 63.200 -0.024 0.000 0.766 754 S HN 0.375 nan 8.310 nan 0.000 0.517 755 E N 0.971 121.120 120.200 -0.084 0.000 2.442 755 E HA 0.191 4.540 4.350 -0.000 0.000 0.195 755 E C -0.043 176.472 176.600 -0.142 0.000 1.030 755 E CA -0.118 56.230 56.400 -0.087 0.000 0.869 755 E CB 0.052 29.715 29.700 -0.062 0.000 0.857 755 E HN 0.400 nan 8.360 nan 0.000 0.505 756 V N 1.472 121.241 119.914 -0.243 0.000 2.599 756 V HA -0.004 4.116 4.120 -0.000 0.000 0.300 756 V C 0.229 176.178 176.094 -0.241 0.000 1.034 756 V CA -0.214 61.859 62.300 -0.378 0.000 1.115 756 V CB 1.231 32.606 31.823 -0.746 0.000 0.934 756 V HN -0.067 nan 8.190 nan 0.000 0.485 757 V N 6.860 126.661 119.914 -0.189 0.000 2.461 757 V HA 0.290 4.410 4.120 -0.000 0.000 0.275 757 V C 0.245 176.247 176.094 -0.153 0.000 1.047 757 V CA -0.251 61.976 62.300 -0.122 0.000 0.955 757 V CB 1.110 32.882 31.823 -0.086 0.000 0.988 757 V HN 0.606 nan 8.190 nan 0.000 0.471 758 I N 6.260 126.749 120.570 -0.135 0.000 2.322 758 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 758 I C -0.151 175.817 176.117 -0.248 0.000 1.060 758 I CA 0.024 61.166 61.300 -0.263 0.000 1.309 758 I CB 0.595 38.386 38.000 -0.349 0.000 1.415 758 I HN 0.380 nan 8.210 nan 0.000 0.492 759 L N 7.526 128.593 121.223 -0.260 0.000 2.272 759 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 759 L C -0.524 176.192 176.870 -0.256 0.000 1.045 759 L CA -0.512 54.232 54.840 -0.162 0.000 0.842 759 L CB 0.343 42.348 42.059 -0.089 0.000 1.224 759 L HN 0.423 nan 8.230 nan 0.000 0.430 760 F N 1.737 121.623 119.950 -0.106 0.000 2.504 760 F HA 0.119 4.646 4.527 -0.000 0.000 0.369 760 F C 0.957 176.613 175.800 -0.241 0.000 1.082 760 F CA 0.346 58.231 58.000 -0.192 0.000 1.216 760 F CB 1.163 40.012 39.000 -0.252 0.000 1.108 760 F HN 0.315 nan 8.300 nan 0.000 0.554 761 S N 3.325 118.998 115.700 -0.046 0.000 2.733 761 S HA 0.784 5.254 4.470 -0.000 0.000 0.307 761 S C -0.523 174.043 174.600 -0.056 0.000 1.127 761 S CA -0.534 57.611 58.200 -0.092 0.000 1.097 761 S CB 0.232 63.405 63.200 -0.045 0.000 1.003 761 S HN 0.769 nan 8.310 nan 0.000 0.477 762 A N 3.682 126.429 122.820 -0.121 0.000 2.311 762 A HA 0.689 5.009 4.320 -0.000 0.000 0.334 762 A C -0.669 177.114 177.584 0.331 0.000 1.139 762 A CA -0.620 51.484 52.037 0.112 0.000 0.830 762 A CB 0.217 19.229 19.000 0.021 0.000 1.234 762 A HN 0.935 nan 8.150 nan 0.000 0.483 763 H N 0.708 120.018 119.070 0.400 0.000 2.964 763 H HA 0.235 4.790 4.556 -0.000 0.000 0.328 763 H C 1.093 176.772 175.328 0.585 0.000 1.030 763 H CA 1.558 57.826 56.048 0.366 0.000 1.445 763 H CB 0.717 30.601 29.762 0.203 0.000 1.449 763 H HN 0.679 nan 8.280 nan 0.000 0.581 764 S N 2.490 118.568 115.700 0.630 0.000 2.580 764 S HA 0.178 4.648 4.470 -0.000 0.000 0.261 764 S C -0.154 174.740 174.600 0.490 0.000 1.366 764 S CA -0.484 58.079 58.200 0.603 0.000 0.996 764 S CB 0.234 63.775 63.200 0.567 0.000 0.902 764 S HN 0.444 nan 8.310 nan 0.000 0.566 765 L N 2.859 124.183 121.223 0.168 0.000 2.354 765 L HA 0.486 4.826 4.340 -0.000 0.000 0.269 765 L C -2.362 174.129 176.870 -0.632 0.000 1.005 765 L CA -2.611 52.073 54.840 -0.259 0.000 0.819 765 L CB 2.042 43.937 42.059 -0.273 0.000 1.311 765 L HN 0.473 nan 8.230 nan 0.000 0.423 766 P HA 0.052 nan 4.420 nan 0.000 0.266 766 P C 0.559 177.509 177.300 -0.585 0.000 1.195 766 P CA -0.200 62.093 63.100 -1.345 0.000 0.768 766 P CB 0.441 31.483 31.700 -1.097 0.000 0.838 767 M N 1.841 121.216 119.600 -0.375 0.000 2.267 767 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 767 M C 1.844 178.028 176.300 -0.194 0.000 1.063 767 M CA 1.907 57.077 55.300 -0.217 0.000 1.090 767 M CB -1.920 30.608 32.600 -0.120 0.000 1.392 767 M HN 0.425 nan 8.290 nan 0.000 0.422 768 S N -0.427 115.144 115.700 -0.215 0.000 2.399 768 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 768 S C 1.964 176.464 174.600 -0.165 0.000 1.022 768 S CA 1.326 59.428 58.200 -0.164 0.000 0.983 768 S CB -0.874 62.234 63.200 -0.153 0.000 0.803 768 S HN 0.301 nan 8.310 nan 0.000 0.480 769 V N 1.139 120.918 119.914 -0.225 0.000 2.500 769 V HA -0.013 4.107 4.120 -0.000 0.000 0.243 769 V C 2.618 178.620 176.094 -0.153 0.000 1.039 769 V CA 1.070 63.253 62.300 -0.196 0.000 1.053 769 V CB -0.475 31.189 31.823 -0.264 0.000 0.695 769 V HN 0.419 nan 8.190 nan 0.000 0.463 770 V N 1.073 120.881 119.914 -0.177 0.000 2.287 770 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 770 V C 2.195 178.233 176.094 -0.093 0.000 1.053 770 V CA 2.237 64.457 62.300 -0.132 0.000 1.027 770 V CB -0.812 30.912 31.823 -0.164 0.000 0.646 770 V HN 0.587 nan 8.190 nan 0.000 0.447 771 N N 0.444 119.086 118.700 -0.097 0.000 2.512 771 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 771 N C 1.776 177.254 175.510 -0.054 0.000 1.073 771 N CA 0.953 53.962 53.050 -0.068 0.000 0.911 771 N CB -0.351 38.097 38.487 -0.066 0.000 0.964 771 N HN 0.688 nan 8.380 nan 0.000 0.447 772 R N -0.453 120.011 120.500 -0.060 0.000 2.300 772 R HA 0.192 4.532 4.340 -0.000 0.000 0.199 772 R C 0.632 176.914 176.300 -0.030 0.000 0.920 772 R CA 0.879 56.952 56.100 -0.044 0.000 1.046 772 R CB 0.222 30.492 30.300 -0.050 0.000 0.984 772 R HN -0.006 nan 8.270 nan 0.000 0.493 773 G N 1.254 110.037 108.800 -0.028 0.000 2.148 773 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.157 773 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.157 773 G C -0.732 174.174 174.900 0.009 0.000 1.012 773 G CA -0.126 44.968 45.100 -0.010 0.000 0.677 773 G HN 0.491 nan 8.290 nan 0.000 0.506 774 D N 0.474 120.876 120.400 0.004 0.000 2.493 774 D HA 0.391 5.031 4.640 -0.000 0.000 0.240 774 D C -0.307 176.048 176.300 0.093 0.000 1.142 774 D CA -0.717 53.311 54.000 0.046 0.000 0.872 774 D CB 1.108 41.912 40.800 0.006 0.000 1.173 774 D HN 0.106 nan 8.370 nan 0.000 0.467 775 P HA -0.064 nan 4.420 nan 0.000 0.233 775 P C 0.589 178.009 177.300 0.201 0.000 1.167 775 P CA 0.502 63.692 63.100 0.150 0.000 0.770 775 P CB 0.001 31.805 31.700 0.174 0.000 0.837 776 Y N 2.092 122.442 120.300 0.084 0.000 2.097 776 Y HA -0.156 4.394 4.550 -0.000 0.000 0.282 776 Y C -0.816 175.161 175.900 0.128 0.000 1.152 776 Y CA 2.147 60.302 58.100 0.092 0.000 1.136 776 Y CB -1.771 36.719 38.460 0.050 0.000 0.975 776 Y HN 0.061 nan 8.280 nan 0.000 0.498 777 P HA -0.221 nan 4.420 nan 0.000 0.216 777 P C 1.487 178.847 177.300 0.100 0.000 1.150 777 P CA 2.102 65.252 63.100 0.084 0.000 0.837 777 P CB -0.192 31.482 31.700 -0.043 0.000 0.786 778 Q N 0.263 120.101 119.800 0.064 0.000 2.119 778 Q HA -0.188 4.152 4.340 -0.000 0.000 0.201 778 Q C 1.875 177.886 176.000 0.019 0.000 0.972 778 Q CA 1.650 57.482 55.803 0.048 0.000 0.847 778 Q CB -0.304 28.459 28.738 0.042 0.000 0.903 778 Q HN 0.364 nan 8.270 nan 0.000 0.433 779 E N -0.412 119.796 120.200 0.013 0.000 2.072 779 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 779 E C 2.169 178.721 176.600 -0.081 0.000 0.982 779 E CA 1.114 57.510 56.400 -0.007 0.000 0.803 779 E CB 0.126 29.852 29.700 0.043 0.000 0.755 779 E HN 0.142 nan 8.360 nan 0.000 0.453 780 V N 1.289 121.107 119.914 -0.160 0.000 2.332 780 V HA -0.270 3.849 4.120 -0.000 0.000 0.248 780 V C 2.311 178.277 176.094 -0.213 0.000 1.055 780 V CA 1.885 64.040 62.300 -0.241 0.000 1.038 780 V CB -0.449 31.155 31.823 -0.365 0.000 0.651 780 V HN 0.199 nan 8.190 nan 0.000 0.450 781 S N -0.039 115.598 115.700 -0.105 0.000 2.368 781 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 781 S C 2.216 176.738 174.600 -0.131 0.000 1.030 781 S CA 1.412 59.556 58.200 -0.094 0.000 0.999 781 S CB -0.486 62.725 63.200 0.018 0.000 0.844 781 S HN 0.669 nan 8.310 nan 0.000 0.459 782 A N 1.396 124.160 122.820 -0.093 0.000 1.877 782 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 782 A C 2.339 179.841 177.584 -0.136 0.000 1.186 782 A CA 2.126 54.113 52.037 -0.082 0.000 0.620 782 A CB -1.451 17.531 19.000 -0.030 0.000 0.822 782 A HN 0.491 nan 8.150 nan 0.000 0.443 783 T N -0.177 114.277 114.554 -0.167 0.000 2.684 783 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 783 T C 1.863 176.330 174.700 -0.389 0.000 1.036 783 T CA 1.656 63.631 62.100 -0.209 0.000 1.148 783 T CB -0.596 68.139 68.868 -0.221 0.000 0.863 783 T HN 0.151 nan 8.240 nan 0.000 0.436 784 V N 1.326 120.898 119.914 -0.570 0.000 2.287 784 V HA -0.231 3.888 4.120 -0.000 0.000 0.248 784 V C 2.694 178.348 176.094 -0.733 0.000 1.053 784 V CA 1.947 63.663 62.300 -0.973 0.000 1.027 784 V CB -0.699 30.532 31.823 -0.986 0.000 0.646 784 V HN 0.372 nan 8.190 nan 0.000 0.447 785 Q N -0.058 119.494 119.800 -0.414 0.000 2.084 785 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 785 Q C 2.230 178.084 176.000 -0.242 0.000 0.978 785 Q CA 1.581 57.231 55.803 -0.255 0.000 0.844 785 Q CB -0.160 28.528 28.738 -0.084 0.000 0.898 785 Q HN 0.401 nan 8.270 nan 0.000 0.426 786 K N -0.549 119.733 120.400 -0.197 0.000 2.097 786 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 786 K C 2.072 178.577 176.600 -0.159 0.000 1.049 786 K CA 1.054 57.263 56.287 -0.130 0.000 0.933 786 K CB -0.655 31.811 32.500 -0.056 0.000 0.717 786 K HN 0.152 nan 8.250 nan 0.000 0.442 787 V N 1.588 121.374 119.914 -0.213 0.000 2.295 787 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 787 V C 2.418 178.379 176.094 -0.220 0.000 1.049 787 V CA 1.457 63.662 62.300 -0.158 0.000 1.024 787 V CB -0.380 31.353 31.823 -0.150 0.000 0.648 787 V HN 0.239 nan 8.190 nan 0.000 0.447 788 M N -0.493 118.873 119.600 -0.391 0.000 2.175 788 M HA -0.139 4.340 4.480 -0.000 0.000 0.264 788 M C 2.174 177.984 176.300 -0.815 0.000 1.063 788 M CA 1.536 56.517 55.300 -0.532 0.000 1.119 788 M CB -1.184 31.018 32.600 -0.664 0.000 1.377 788 M HN 0.534 nan 8.290 nan 0.000 0.415 789 E N 0.453 120.249 120.200 -0.674 0.000 2.058 789 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 789 E C 2.161 178.592 176.600 -0.283 0.000 0.997 789 E CA 1.540 57.640 56.400 -0.500 0.000 0.801 789 E CB 0.026 29.612 29.700 -0.189 0.000 0.746 789 E HN 0.228 nan 8.360 nan 0.000 0.450 790 R N 0.503 120.888 120.500 -0.191 0.000 2.081 790 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 790 R C 2.212 178.453 176.300 -0.098 0.000 1.131 790 R CA 1.199 57.242 56.100 -0.096 0.000 0.960 790 R CB -0.374 29.898 30.300 -0.046 0.000 0.856 790 R HN 0.264 nan 8.270 nan 0.000 0.436 791 L N 0.823 121.959 121.223 -0.145 0.000 2.610 791 L HA 0.076 4.416 4.340 -0.000 0.000 0.232 791 L C -0.004 176.807 176.870 -0.098 0.000 1.149 791 L CA 0.518 55.297 54.840 -0.101 0.000 0.872 791 L CB -0.403 41.607 42.059 -0.081 0.000 0.992 791 L HN 0.317 nan 8.230 nan 0.000 0.447 792 E N -1.299 118.812 120.200 -0.149 0.000 2.476 792 E HA -0.296 4.054 4.350 -0.000 0.000 0.251 792 E C -0.642 176.010 176.600 0.088 0.000 1.130 792 E CA 0.341 56.722 56.400 -0.032 0.000 0.736 792 E CB -1.766 27.954 29.700 0.033 0.000 1.298 792 E HN 0.458 nan 8.360 nan 0.000 0.400 793 Y N -3.645 116.677 120.300 0.037 0.000 3.305 793 Y HA -0.385 4.165 4.550 -0.000 0.000 0.212 793 Y C 2.033 177.967 175.900 0.056 0.000 1.248 793 Y CA 0.600 58.740 58.100 0.067 0.000 1.359 793 Y CB -2.751 35.756 38.460 0.077 0.000 1.407 793 Y HN 0.672 nan 8.280 nan 0.000 0.572 794 C N -2.775 116.589 119.300 0.107 0.000 2.446 794 C HA 0.123 4.583 4.460 -0.000 0.000 0.279 794 C C 1.109 176.134 174.990 0.057 0.000 1.366 794 C CA 0.719 59.778 59.018 0.067 0.000 1.763 794 C CB -0.701 27.053 27.740 0.023 0.000 1.929 794 C HN 0.607 nan 8.230 nan 0.000 0.509 795 N N 0.495 119.238 118.700 0.072 0.000 2.380 795 N HA 0.654 5.394 4.740 -0.000 0.000 0.290 795 N C -2.976 172.618 175.510 0.140 0.000 1.236 795 N CA -1.186 51.896 53.050 0.052 0.000 0.780 795 N CB 1.253 39.727 38.487 -0.022 0.000 1.438 795 N HN 0.151 nan 8.380 nan 0.000 0.491 796 P HA 0.202 nan 4.420 nan 0.000 0.277 796 P C -1.551 175.834 177.300 0.141 0.000 1.240 796 P CA -0.025 63.128 63.100 0.088 0.000 0.798 796 P CB 0.451 32.146 31.700 -0.008 0.000 0.979 797 Y N -0.772 119.564 120.300 0.060 0.000 2.615 797 Y HA 0.825 5.375 4.550 -0.000 0.000 0.341 797 Y C -0.847 175.103 175.900 0.083 0.000 1.089 797 Y CA -1.311 56.840 58.100 0.085 0.000 1.049 797 Y CB 1.473 40.090 38.460 0.262 0.000 1.296 797 Y HN 0.127 nan 8.280 nan 0.000 0.470 798 R N 1.791 122.409 120.500 0.196 0.000 2.698 798 R HA 0.463 4.803 4.340 -0.000 0.000 0.275 798 R C -2.069 174.381 176.300 0.249 0.000 1.001 798 R CA -1.122 55.043 56.100 0.108 0.000 0.896 798 R CB 2.468 32.771 30.300 0.004 0.000 1.218 798 R HN 0.896 nan 8.270 nan 0.000 0.462 799 L N 3.354 124.660 121.223 0.138 0.000 2.257 799 L HA 0.477 4.817 4.340 -0.000 0.000 0.290 799 L C -0.338 176.353 176.870 -0.297 0.000 1.044 799 L CA -0.302 54.484 54.840 -0.090 0.000 0.810 799 L CB 1.000 42.941 42.059 -0.198 0.000 1.193 799 L HN 0.467 nan 8.230 nan 0.000 0.425 800 V N 1.828 121.505 119.914 -0.394 0.000 3.181 800 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 800 V C -1.439 174.311 176.094 -0.574 0.000 1.173 800 V CA -0.916 61.169 62.300 -0.360 0.000 1.052 800 V CB 1.721 33.505 31.823 -0.065 0.000 1.123 800 V HN 0.780 nan 8.190 nan 0.000 0.454 801 W N 0.632 121.983 121.300 0.084 0.000 2.900 801 W HA 0.727 5.387 4.660 -0.000 0.000 0.336 801 W C -0.330 176.223 176.519 0.056 0.000 1.064 801 W CA -0.335 57.071 57.345 0.102 0.000 1.237 801 W CB 1.539 31.091 29.460 0.154 0.000 1.391 801 W HN 0.900 nan 8.180 nan 0.000 0.468 802 Q N 0.303 120.221 119.800 0.197 0.000 2.240 802 Q HA 0.705 5.045 4.340 -0.000 0.000 0.260 802 Q C 0.394 176.384 176.000 -0.017 0.000 1.018 802 Q CA -0.585 55.236 55.803 0.029 0.000 0.898 802 Q CB 1.721 30.411 28.738 -0.080 0.000 1.301 802 Q HN 0.476 nan 8.270 nan 0.000 0.469 803 S N -1.113 114.530 115.700 -0.095 0.000 3.476 803 S HA -0.236 4.234 4.470 -0.000 0.000 0.309 803 S C -0.398 174.049 174.600 -0.255 0.000 1.222 803 S CA 1.369 59.488 58.200 -0.136 0.000 0.922 803 S CB -2.224 60.925 63.200 -0.085 0.000 1.023 803 S HN 0.813 nan 8.310 nan 0.000 0.591 804 K N 1.015 121.196 120.400 -0.365 0.000 2.527 804 K HA 0.360 4.680 4.320 -0.000 0.000 0.278 804 K C 0.192 176.225 176.600 -0.945 0.000 0.981 804 K CA -0.101 55.602 56.287 -0.974 0.000 1.009 804 K CB 0.347 32.348 32.500 -0.832 0.000 0.895 804 K HN 0.347 nan 8.250 nan 0.000 0.493 805 V N -0.754 118.383 119.914 -1.296 0.000 2.628 805 V HA 0.858 4.978 4.120 -0.000 0.000 0.306 805 V C 0.533 176.423 176.094 -0.340 0.000 1.045 805 V CA -0.000 61.969 62.300 -0.551 0.000 0.905 805 V CB 0.454 32.132 31.823 -0.242 0.000 0.997 805 V HN 1.270 nan 8.190 nan 0.000 0.436 806 G N 4.652 113.358 108.800 -0.156 0.000 2.725 806 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.220 806 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.220 806 G C -1.602 173.289 174.900 -0.015 0.000 1.357 806 G CA 0.005 45.092 45.100 -0.023 0.000 0.866 806 G HN 0.965 nan 8.290 nan 0.000 0.548 807 P HA 0.288 nan 4.420 nan 0.000 0.264 807 P C 0.682 178.050 177.300 0.113 0.000 1.259 807 P CA 0.203 63.338 63.100 0.057 0.000 0.841 807 P CB 0.253 31.979 31.700 0.044 0.000 1.232 808 M N 0.982 120.702 119.600 0.201 0.000 2.202 808 M HA 0.335 4.815 4.480 -0.000 0.000 0.316 808 M C -2.230 174.253 176.300 0.306 0.000 1.138 808 M CA -2.848 52.579 55.300 0.211 0.000 1.151 808 M CB -1.083 31.628 32.600 0.186 0.000 1.422 808 M HN -0.245 nan 8.290 nan 0.000 0.471 809 P HA 0.144 nan 4.420 nan 0.000 0.276 809 P C -1.300 176.127 177.300 0.211 0.000 1.235 809 P CA 0.072 63.280 63.100 0.181 0.000 0.772 809 P CB 0.317 32.056 31.700 0.066 0.000 0.871 810 W N 2.380 123.663 121.300 -0.028 0.000 2.820 810 W HA 0.458 5.118 4.660 -0.000 0.000 0.350 810 W C -0.409 176.062 176.519 -0.080 0.000 1.116 810 W CA -0.814 56.501 57.345 -0.050 0.000 1.146 810 W CB 0.612 30.059 29.460 -0.022 0.000 1.433 810 W HN 0.160 nan 8.180 nan 0.000 0.561 811 L N 2.496 123.744 121.223 0.041 0.000 2.455 811 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 811 L C 0.294 177.130 176.870 -0.058 0.000 1.174 811 L CA 0.821 55.559 54.840 -0.170 0.000 0.869 811 L CB -0.450 41.272 42.059 -0.562 0.000 1.130 811 L HN 0.452 nan 8.230 nan 0.000 0.474 812 G N 4.551 113.375 108.800 0.039 0.000 3.016 812 G HA2 0.669 4.629 3.960 -0.000 0.000 0.270 812 G HA3 0.669 4.629 3.960 -0.000 0.000 0.270 812 G C -2.836 172.290 174.900 0.377 0.000 1.352 812 G CA -1.138 44.102 45.100 0.233 0.000 1.060 812 G HN 0.573 nan 8.290 nan 0.000 0.538 813 P HA 0.140 nan 4.420 nan 0.000 0.269 813 P C -0.575 176.886 177.300 0.269 0.000 1.209 813 P CA 0.011 63.254 63.100 0.238 0.000 0.776 813 P CB 0.635 32.433 31.700 0.163 0.000 0.876 814 Q N 0.498 120.407 119.800 0.181 0.000 2.352 814 Q HA 0.098 4.438 4.340 -0.000 0.000 0.260 814 Q C 1.322 177.390 176.000 0.112 0.000 0.976 814 Q CA 0.074 55.967 55.803 0.150 0.000 0.881 814 Q CB 0.210 28.998 28.738 0.084 0.000 1.235 814 Q HN 0.423 nan 8.270 nan 0.000 0.419 815 T N 1.692 116.299 114.554 0.089 0.000 2.684 815 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 815 T C 0.813 175.562 174.700 0.082 0.000 1.036 815 T CA 1.625 63.759 62.100 0.056 0.000 1.148 815 T CB -0.098 68.783 68.868 0.022 0.000 0.863 815 T HN 0.569 nan 8.240 nan 0.000 0.436 816 D N 1.456 121.904 120.400 0.080 0.000 2.084 816 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 816 D C 2.317 178.758 176.300 0.235 0.000 0.990 816 D CA 1.463 55.563 54.000 0.166 0.000 0.826 816 D CB -0.503 40.289 40.800 -0.013 0.000 0.971 816 D HN 0.722 nan 8.370 nan 0.000 0.453 817 E N 0.857 121.138 120.200 0.135 0.000 2.160 817 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 817 E C 1.871 178.524 176.600 0.089 0.000 0.991 817 E CA 1.264 57.737 56.400 0.122 0.000 0.810 817 E CB -0.197 29.555 29.700 0.087 0.000 0.742 817 E HN -0.008 nan 8.360 nan 0.000 0.466 818 S N 0.801 116.546 115.700 0.076 0.000 2.387 818 S HA 0.003 4.473 4.470 -0.000 0.000 0.226 818 S C 1.956 176.561 174.600 0.007 0.000 1.026 818 S CA 0.788 59.012 58.200 0.040 0.000 0.972 818 S CB -0.175 63.049 63.200 0.040 0.000 0.814 818 S HN 0.236 nan 8.310 nan 0.000 0.477 819 I N 1.625 122.202 120.570 0.012 0.000 2.202 819 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 819 I C 2.547 178.556 176.117 -0.180 0.000 1.091 819 I CA 1.219 62.477 61.300 -0.071 0.000 1.368 819 I CB -0.237 37.730 38.000 -0.055 0.000 1.058 819 I HN 0.230 nan 8.210 nan 0.000 0.410 820 K N 1.063 121.348 120.400 -0.190 0.000 2.032 820 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 820 K C 2.101 178.651 176.600 -0.083 0.000 1.048 820 K CA 1.771 57.939 56.287 -0.197 0.000 0.927 820 K CB -0.413 32.086 32.500 -0.001 0.000 0.712 820 K HN 0.382 nan 8.250 nan 0.000 0.441 821 G N 1.186 109.969 108.800 -0.029 0.000 2.402 821 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 821 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 821 G C 1.508 176.391 174.900 -0.029 0.000 1.162 821 G CA 0.612 45.704 45.100 -0.013 0.000 0.777 821 G HN 0.218 nan 8.290 nan 0.000 0.539 822 L N 0.031 121.229 121.223 -0.041 0.000 2.046 822 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 822 L C 3.041 179.880 176.870 -0.052 0.000 1.077 822 L CA 0.775 55.589 54.840 -0.044 0.000 0.747 822 L CB -0.430 41.601 42.059 -0.047 0.000 0.896 822 L HN 0.256 nan 8.230 nan 0.000 0.432 823 C N -0.123 119.132 119.300 -0.076 0.000 2.429 823 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 823 C C 2.537 177.494 174.990 -0.053 0.000 1.262 823 C CA 0.583 59.555 59.018 -0.076 0.000 1.733 823 C CB -0.797 26.870 27.740 -0.121 0.000 2.010 823 C HN 0.502 nan 8.230 nan 0.000 0.483 824 E N -0.040 120.131 120.200 -0.049 0.000 2.333 824 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 824 E C 1.724 178.311 176.600 -0.022 0.000 1.007 824 E CA 0.757 57.140 56.400 -0.029 0.000 0.845 824 E CB -0.061 29.628 29.700 -0.018 0.000 0.766 824 E HN 0.609 nan 8.360 nan 0.000 0.507 825 R N -1.072 119.412 120.500 -0.025 0.000 2.546 825 R HA 0.152 4.492 4.340 -0.000 0.000 0.320 825 R C 0.676 176.962 176.300 -0.023 0.000 1.021 825 R CA 0.408 56.495 56.100 -0.021 0.000 1.088 825 R CB 1.191 31.480 30.300 -0.020 0.000 1.278 825 R HN 0.189 nan 8.270 nan 0.000 0.557 826 G N 1.097 109.882 108.800 -0.025 0.000 2.176 826 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.232 826 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.232 826 G C -0.191 174.693 174.900 -0.026 0.000 0.986 826 G CA -0.560 44.526 45.100 -0.023 0.000 0.643 826 G HN 0.047 nan 8.290 nan 0.000 0.522 827 R N 0.603 121.084 120.500 -0.032 0.000 2.235 827 R HA 0.482 4.822 4.340 -0.000 0.000 0.338 827 R C 0.913 177.193 176.300 -0.033 0.000 1.087 827 R CA -0.347 55.731 56.100 -0.036 0.000 0.948 827 R CB 0.848 31.122 30.300 -0.043 0.000 1.099 827 R HN 0.396 nan 8.270 nan 0.000 0.483 828 K N 1.145 121.533 120.400 -0.020 0.000 2.358 828 K HA 0.143 4.463 4.320 -0.000 0.000 0.197 828 K C -0.421 176.198 176.600 0.031 0.000 1.025 828 K CA 0.237 56.522 56.287 -0.003 0.000 1.104 828 K CB 0.437 32.939 32.500 0.004 0.000 0.855 828 K HN 0.382 nan 8.250 nan 0.000 0.531 829 N N 0.855 119.566 118.700 0.019 0.000 2.461 829 N HA 0.380 5.120 4.740 -0.000 0.000 0.284 829 N C -1.496 174.001 175.510 -0.023 0.000 1.049 829 N CA -0.345 52.747 53.050 0.070 0.000 0.889 829 N CB 1.831 40.326 38.487 0.013 0.000 1.365 829 N HN -0.082 nan 8.380 nan 0.000 0.499 830 I N 1.955 122.579 120.570 0.091 0.000 2.533 830 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 830 I C -1.367 174.826 176.117 0.127 0.000 1.056 830 I CA -0.964 60.346 61.300 0.018 0.000 1.057 830 I CB 2.045 40.051 38.000 0.010 0.000 1.240 830 I HN 0.255 nan 8.210 nan 0.000 0.423 831 L N 7.794 129.017 121.223 0.000 0.000 2.316 831 L HA 0.540 4.880 4.340 -0.000 0.000 0.280 831 L C -1.099 175.730 176.870 -0.069 0.000 1.006 831 L CA -0.171 54.703 54.840 0.058 0.000 0.836 831 L CB 1.059 43.109 42.059 -0.015 0.000 1.221 831 L HN 0.440 nan 8.230 nan 0.000 0.418 832 L N 5.798 127.004 121.223 -0.029 0.000 2.305 832 L HA 0.518 4.858 4.340 -0.000 0.000 0.281 832 L C -0.556 176.256 176.870 -0.097 0.000 1.085 832 L CA -0.626 54.169 54.840 -0.076 0.000 0.813 832 L CB 1.428 43.469 42.059 -0.030 0.000 1.157 832 L HN 0.340 nan 8.230 nan 0.000 0.436 833 V N 4.566 124.382 119.914 -0.164 0.000 2.407 833 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 833 V C -2.137 173.955 176.094 -0.003 0.000 1.018 833 V CA -1.536 60.689 62.300 -0.126 0.000 0.842 833 V CB 1.771 33.381 31.823 -0.356 0.000 0.996 833 V HN 0.602 nan 8.190 nan 0.000 0.426 834 P HA 0.197 nan 4.420 nan 0.000 0.260 834 P C 0.423 177.839 177.300 0.194 0.000 1.651 834 P CA 0.024 63.258 63.100 0.224 0.000 1.139 834 P CB 0.935 32.856 31.700 0.369 0.000 1.756 835 I N 2.718 123.302 120.570 0.024 0.000 3.419 835 I HA 0.100 4.270 4.170 -0.000 0.000 0.286 835 I C 1.441 177.519 176.117 -0.065 0.000 1.268 835 I CA 0.547 61.681 61.300 -0.276 0.000 1.414 835 I CB -0.195 37.639 38.000 -0.277 0.000 1.074 835 I HN 0.303 nan 8.210 nan 0.000 0.457 836 A N -1.274 121.634 122.820 0.147 0.000 2.671 836 A HA 0.367 4.686 4.320 -0.000 0.000 0.265 836 A C -0.133 177.680 177.584 0.382 0.000 1.148 836 A CA -0.257 51.923 52.037 0.238 0.000 0.977 836 A CB -0.095 19.083 19.000 0.297 0.000 1.242 836 A HN 0.171 nan 8.150 nan 0.000 0.591 837 F N 0.450 120.483 119.950 0.138 0.000 2.607 837 F HA 0.364 4.891 4.527 -0.000 0.000 0.322 837 F C 1.027 176.863 175.800 0.060 0.000 1.176 837 F CA 0.171 58.197 58.000 0.044 0.000 0.977 837 F CB 1.816 40.733 39.000 -0.138 0.000 1.242 837 F HN 0.012 nan 8.300 nan 0.000 0.465 838 T N -0.313 114.028 114.554 -0.355 0.000 3.107 838 T HA 0.309 4.659 4.350 -0.000 0.000 0.249 838 T C 0.461 175.036 174.700 -0.209 0.000 1.096 838 T CA 0.142 62.082 62.100 -0.266 0.000 1.012 838 T CB -0.103 68.525 68.868 -0.400 0.000 0.977 838 T HN 0.292 nan 8.240 nan 0.000 0.527 839 S N 0.984 116.672 115.700 -0.021 0.000 2.600 839 S HA 0.482 4.952 4.470 -0.000 0.000 0.300 839 S C -0.882 173.955 174.600 0.395 0.000 1.087 839 S CA -0.779 57.490 58.200 0.114 0.000 0.965 839 S CB 1.364 64.697 63.200 0.222 0.000 1.089 839 S HN 0.326 nan 8.310 nan 0.000 0.496 840 D N 2.744 123.293 120.400 0.248 0.000 2.525 840 D HA 0.190 4.830 4.640 -0.000 0.000 0.235 840 D C 0.355 176.865 176.300 0.349 0.000 1.137 840 D CA 1.085 55.222 54.000 0.229 0.000 0.868 840 D CB 0.185 41.106 40.800 0.202 0.000 1.180 840 D HN 0.636 nan 8.370 nan 0.000 0.465 841 H N -0.385 118.781 119.070 0.161 0.000 2.928 841 H HA 0.417 4.973 4.556 -0.000 0.000 0.285 841 H C -0.275 175.046 175.328 -0.012 0.000 1.438 841 H CA -0.987 55.115 56.048 0.090 0.000 1.176 841 H CB -0.024 29.769 29.762 0.052 0.000 1.864 841 H HN 0.183 nan 8.280 nan 0.000 0.567 842 I N 1.542 122.112 120.570 0.001 0.000 2.618 842 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 842 I C 0.733 176.777 176.117 -0.121 0.000 1.146 842 I CA 0.528 61.741 61.300 -0.146 0.000 1.425 842 I CB 0.415 38.281 38.000 -0.224 0.000 1.383 842 I HN 0.412 nan 8.210 nan 0.000 0.562 843 E N 3.456 123.568 120.200 -0.147 0.000 2.330 843 E HA 0.301 4.651 4.350 -0.000 0.000 0.256 843 E C -0.049 176.481 176.600 -0.117 0.000 1.146 843 E CA -0.632 55.687 56.400 -0.136 0.000 0.945 843 E CB 1.018 30.648 29.700 -0.117 0.000 1.182 843 E HN 0.665 nan 8.360 nan 0.000 0.480 844 T N -1.399 113.096 114.554 -0.098 0.000 2.881 844 T HA 0.130 4.480 4.350 -0.000 0.000 0.278 844 T C 1.032 175.647 174.700 -0.141 0.000 0.982 844 T CA -0.791 61.245 62.100 -0.107 0.000 0.989 844 T CB 0.790 69.622 68.868 -0.060 0.000 1.058 844 T HN 0.332 nan 8.240 nan 0.000 0.529 845 L N 0.517 121.596 121.223 -0.240 0.000 1.997 845 L HA -0.081 4.259 4.340 -0.000 0.000 0.216 845 L C 2.276 178.918 176.870 -0.380 0.000 1.074 845 L CA 1.876 56.468 54.840 -0.414 0.000 0.763 845 L CB -1.272 40.365 42.059 -0.703 0.000 0.890 845 L HN 0.832 nan 8.230 nan 0.000 0.434 846 Y N -0.492 119.764 120.300 -0.073 0.000 2.509 846 Y HA -0.114 4.436 4.550 -0.000 0.000 0.293 846 Y C 2.371 178.264 175.900 -0.011 0.000 1.133 846 Y CA 0.970 59.063 58.100 -0.012 0.000 1.283 846 Y CB -0.129 38.333 38.460 0.003 0.000 1.001 846 Y HN 0.382 nan 8.280 nan 0.000 0.555 847 E N -0.403 119.834 120.200 0.062 0.000 2.190 847 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 847 E C 1.671 178.270 176.600 -0.002 0.000 0.978 847 E CA 0.693 57.109 56.400 0.026 0.000 0.839 847 E CB 0.124 29.819 29.700 -0.010 0.000 0.787 847 E HN 0.465 nan 8.360 nan 0.000 0.473 848 L N 0.146 121.349 121.223 -0.033 0.000 2.362 848 L HA 0.127 4.466 4.340 -0.000 0.000 0.204 848 L C 0.957 177.814 176.870 -0.022 0.000 1.060 848 L CA 0.053 54.869 54.840 -0.041 0.000 0.827 848 L CB 0.435 42.450 42.059 -0.074 0.000 1.027 848 L HN -0.015 nan 8.230 nan 0.000 0.474 849 D N 0.768 121.151 120.400 -0.029 0.000 2.316 849 D HA 0.059 4.699 4.640 -0.000 0.000 0.245 849 D C 0.740 177.095 176.300 0.091 0.000 1.171 849 D CA -0.040 53.979 54.000 0.031 0.000 0.856 849 D CB 2.020 42.843 40.800 0.038 0.000 1.090 849 D HN -0.045 nan 8.370 nan 0.000 0.476 850 I N 4.258 124.870 120.570 0.069 0.000 2.439 850 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 850 I C 1.690 177.847 176.117 0.068 0.000 1.139 850 I CA 1.241 62.579 61.300 0.065 0.000 1.438 850 I CB -0.015 38.006 38.000 0.035 0.000 1.085 850 I HN 0.364 nan 8.210 nan 0.000 0.427 851 E N -0.410 119.825 120.200 0.058 0.000 2.058 851 E HA -0.254 4.095 4.350 -0.000 0.000 0.194 851 E C 2.079 178.655 176.600 -0.041 0.000 0.997 851 E CA 1.964 58.357 56.400 -0.011 0.000 0.801 851 E CB -0.457 29.207 29.700 -0.060 0.000 0.746 851 E HN 0.570 nan 8.360 nan 0.000 0.450 852 Y N 0.658 120.968 120.300 0.017 0.000 2.163 852 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 852 Y C 2.695 178.734 175.900 0.232 0.000 1.136 852 Y CA 1.482 59.626 58.100 0.073 0.000 1.147 852 Y CB -0.378 38.003 38.460 -0.133 0.000 0.987 852 Y HN 0.090 nan 8.280 nan 0.000 0.509 853 S N -0.558 115.351 115.700 0.349 0.000 2.423 853 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 853 S C 1.740 176.423 174.600 0.139 0.000 1.014 853 S CA 1.048 59.419 58.200 0.284 0.000 0.965 853 S CB -0.449 62.875 63.200 0.207 0.000 0.785 853 S HN 0.513 nan 8.310 nan 0.000 0.495 854 Q N 0.825 120.682 119.800 0.095 0.000 2.020 854 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 854 Q C 2.379 178.397 176.000 0.030 0.000 0.982 854 Q CA 1.768 57.596 55.803 0.042 0.000 0.838 854 Q CB -0.534 28.214 28.738 0.016 0.000 0.899 854 Q HN 0.463 nan 8.270 nan 0.000 0.423 855 V N 0.934 120.863 119.914 0.026 0.000 2.282 855 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 855 V C 2.226 178.338 176.094 0.030 0.000 1.057 855 V CA 1.520 63.827 62.300 0.011 0.000 1.032 855 V CB -0.559 31.250 31.823 -0.023 0.000 0.645 855 V HN 0.310 nan 8.190 nan 0.000 0.447 856 L N 0.539 121.800 121.223 0.063 0.000 1.971 856 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 856 L C 2.521 179.380 176.870 -0.020 0.000 1.072 856 L CA 2.592 57.429 54.840 -0.006 0.000 0.758 856 L CB -1.079 40.925 42.059 -0.091 0.000 0.889 856 L HN 0.289 nan 8.230 nan 0.000 0.433 857 A N -1.450 121.369 122.820 -0.002 0.000 1.972 857 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 857 A C 2.297 179.878 177.584 -0.005 0.000 1.169 857 A CA 1.863 53.897 52.037 -0.005 0.000 0.635 857 A CB -0.451 18.551 19.000 0.004 0.000 0.810 857 A HN 0.486 nan 8.150 nan 0.000 0.446 858 K N -0.350 120.048 120.400 -0.002 0.000 2.031 858 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 858 K C 1.988 178.583 176.600 -0.007 0.000 1.049 858 K CA 1.633 57.917 56.287 -0.005 0.000 0.939 858 K CB -0.128 32.369 32.500 -0.005 0.000 0.717 858 K HN 0.627 nan 8.250 nan 0.000 0.438 859 E N -0.337 119.859 120.200 -0.008 0.000 2.051 859 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 859 E C 1.686 178.278 176.600 -0.013 0.000 0.979 859 E CA 1.251 57.646 56.400 -0.009 0.000 0.803 859 E CB 0.189 29.885 29.700 -0.006 0.000 0.761 859 E HN 0.382 nan 8.360 nan 0.000 0.451 860 C N -0.586 118.701 119.300 -0.020 0.000 3.336 860 C HA 0.485 4.945 4.460 -0.000 0.000 0.291 860 C C 1.357 176.333 174.990 -0.023 0.000 1.363 860 C CA -0.334 58.668 59.018 -0.025 0.000 1.737 860 C CB -0.203 27.513 27.740 -0.040 0.000 2.274 860 C HN 0.532 nan 8.230 nan 0.000 0.663 861 G N 1.945 110.734 108.800 -0.018 0.000 2.314 861 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.292 861 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.292 861 G C 0.059 174.951 174.900 -0.012 0.000 1.059 861 G CA 0.488 45.581 45.100 -0.012 0.000 0.982 861 G HN 0.885 nan 8.290 nan 0.000 0.505 862 V N -0.646 119.255 119.914 -0.021 0.000 2.644 862 V HA 0.202 4.322 4.120 -0.000 0.000 0.305 862 V C 1.325 177.421 176.094 0.003 0.000 1.053 862 V CA 1.744 64.034 62.300 -0.018 0.000 1.186 862 V CB 0.808 32.605 31.823 -0.043 0.000 0.895 862 V HN 0.647 nan 8.190 nan 0.000 0.490 863 E N 4.142 124.355 120.200 0.022 0.000 2.175 863 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 863 E C -0.102 176.524 176.600 0.042 0.000 0.934 863 E CA 0.496 56.916 56.400 0.034 0.000 0.870 863 E CB 0.354 30.084 29.700 0.049 0.000 0.838 863 E HN 0.855 nan 8.360 nan 0.000 0.474 864 N N 0.290 119.042 118.700 0.086 0.000 2.519 864 N HA 0.330 5.070 4.740 -0.000 0.000 0.291 864 N C -1.555 174.046 175.510 0.152 0.000 1.107 864 N CA -0.158 52.940 53.050 0.080 0.000 0.904 864 N CB 2.167 40.714 38.487 0.100 0.000 1.500 864 N HN -0.090 nan 8.380 nan 0.000 0.510 865 I N 2.143 122.751 120.570 0.064 0.000 2.362 865 I HA 0.472 4.642 4.170 -0.000 0.000 0.289 865 I C -0.115 176.021 176.117 0.032 0.000 0.994 865 I CA -0.479 60.871 61.300 0.084 0.000 1.158 865 I CB 1.017 39.048 38.000 0.052 0.000 1.315 865 I HN 0.277 nan 8.210 nan 0.000 0.451 866 R N 4.971 125.520 120.500 0.082 0.000 2.795 866 R HA 0.641 4.981 4.340 -0.000 0.000 0.275 866 R C -0.805 175.529 176.300 0.057 0.000 0.981 866 R CA -1.073 55.030 56.100 0.005 0.000 0.917 866 R CB 3.024 33.241 30.300 -0.138 0.000 1.202 866 R HN 0.504 nan 8.270 nan 0.000 0.469 867 R N 1.048 121.560 120.500 0.020 0.000 2.534 867 R HA 0.512 4.852 4.340 -0.000 0.000 0.301 867 R C -0.814 175.501 176.300 0.024 0.000 0.961 867 R CA -0.384 55.725 56.100 0.014 0.000 0.871 867 R CB 1.771 32.063 30.300 -0.014 0.000 1.170 867 R HN 0.789 nan 8.270 nan 0.000 0.446 868 A N 3.472 126.313 122.820 0.033 0.000 2.466 868 A HA 0.113 4.433 4.320 -0.000 0.000 0.238 868 A C -0.220 177.401 177.584 0.061 0.000 1.074 868 A CA -0.096 51.973 52.037 0.053 0.000 0.774 868 A CB 0.224 19.276 19.000 0.087 0.000 1.015 868 A HN 0.839 nan 8.150 nan 0.000 0.498 869 E N 1.053 121.278 120.200 0.041 0.000 2.398 869 E HA 0.209 4.558 4.350 -0.000 0.000 0.263 869 E C -0.008 176.677 176.600 0.141 0.000 1.046 869 E CA -0.033 56.376 56.400 0.016 0.000 0.908 869 E CB 0.494 30.094 29.700 -0.167 0.000 0.963 869 E HN 0.610 nan 8.360 nan 0.000 0.431 870 S N 2.219 117.929 115.700 0.016 0.000 2.572 870 S HA 0.014 4.484 4.470 -0.000 0.000 0.279 870 S C 1.581 176.079 174.600 -0.171 0.000 1.341 870 S CA -0.473 57.696 58.200 -0.051 0.000 1.043 870 S CB 0.456 63.599 63.200 -0.094 0.000 0.887 870 S HN 0.432 nan 8.310 nan 0.000 0.516 871 L N 1.781 122.763 121.223 -0.401 0.000 2.189 871 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 871 L C 1.510 178.049 176.870 -0.553 0.000 1.097 871 L CA 0.702 55.131 54.840 -0.685 0.000 0.764 871 L CB -1.025 40.247 42.059 -1.312 0.000 0.900 871 L HN 0.638 nan 8.230 nan 0.000 0.436 872 N N 0.251 118.552 118.700 -0.664 0.000 1.297 872 N HA -0.293 4.447 4.740 -0.000 0.000 0.143 872 N C 1.183 176.306 175.510 -0.646 0.000 0.350 872 N CA 2.398 54.772 53.050 -1.127 0.000 1.107 872 N CB -1.461 35.909 38.487 -1.863 0.000 1.462 872 N HN 0.403 nan 8.380 nan 0.000 0.429 873 G N 0.067 108.524 108.800 -0.571 0.000 3.277 873 G HA2 0.101 4.061 3.960 -0.000 0.000 0.243 873 G HA3 0.101 4.061 3.960 -0.000 0.000 0.243 873 G C 0.139 175.092 174.900 0.088 0.000 1.107 873 G CA 0.021 45.159 45.100 0.064 0.000 0.771 873 G HN 0.603 nan 8.290 nan 0.000 0.544 874 N N 1.613 120.331 118.700 0.031 0.000 2.411 874 N HA 0.054 4.794 4.740 -0.000 0.000 0.265 874 N C -0.813 174.765 175.510 0.114 0.000 1.266 874 N CA -0.968 52.135 53.050 0.088 0.000 0.889 874 N CB 1.641 40.196 38.487 0.114 0.000 1.069 874 N HN -0.048 nan 8.380 nan 0.000 0.476 875 P HA -0.141 nan 4.420 nan 0.000 0.226 875 P C 1.198 178.521 177.300 0.040 0.000 1.153 875 P CA 0.584 63.718 63.100 0.057 0.000 0.777 875 P CB 0.182 31.907 31.700 0.042 0.000 0.794 876 L N -1.729 119.527 121.223 0.055 0.000 2.313 876 L HA 0.087 4.427 4.340 -0.000 0.000 0.214 876 L C 2.318 179.226 176.870 0.063 0.000 1.119 876 L CA 1.077 55.939 54.840 0.037 0.000 0.809 876 L CB -1.102 40.977 42.059 0.033 0.000 0.933 876 L HN -0.217 nan 8.230 nan 0.000 0.449 877 F N -0.748 119.149 119.950 -0.089 0.000 2.146 877 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 877 F C 2.405 178.148 175.800 -0.095 0.000 1.096 877 F CA 1.474 59.408 58.000 -0.110 0.000 1.275 877 F CB 0.032 38.945 39.000 -0.145 0.000 1.008 877 F HN 0.052 nan 8.300 nan 0.000 0.480 878 S N 0.229 115.852 115.700 -0.130 0.000 2.382 878 S HA -0.237 4.233 4.470 -0.000 0.000 0.228 878 S C 1.940 176.413 174.600 -0.211 0.000 1.027 878 S CA 1.344 59.415 58.200 -0.215 0.000 0.991 878 S CB -0.371 62.769 63.200 -0.100 0.000 0.823 878 S HN 0.339 nan 8.310 nan 0.000 0.469 879 K N 1.361 121.681 120.400 -0.133 0.000 2.057 879 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 879 K C 2.266 178.773 176.600 -0.155 0.000 1.049 879 K CA 1.137 57.357 56.287 -0.113 0.000 0.931 879 K CB -0.347 32.120 32.500 -0.056 0.000 0.714 879 K HN 0.302 nan 8.250 nan 0.000 0.440 880 A N 1.640 124.345 122.820 -0.192 0.000 1.865 880 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 880 A C 2.150 179.431 177.584 -0.504 0.000 1.191 880 A CA 1.629 53.502 52.037 -0.273 0.000 0.623 880 A CB -0.805 18.084 19.000 -0.185 0.000 0.826 880 A HN 0.323 nan 8.150 nan 0.000 0.444 881 L N -0.908 119.980 121.223 -0.559 0.000 2.012 881 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 881 L C 3.126 179.810 176.870 -0.310 0.000 1.073 881 L CA 1.276 55.855 54.840 -0.435 0.000 0.748 881 L CB -0.720 41.098 42.059 -0.402 0.000 0.891 881 L HN 0.467 nan 8.230 nan 0.000 0.431 882 A N -0.005 122.660 122.820 -0.259 0.000 1.902 882 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 882 A C 1.959 179.438 177.584 -0.175 0.000 1.181 882 A CA 2.109 54.020 52.037 -0.210 0.000 0.623 882 A CB -0.745 18.149 19.000 -0.177 0.000 0.818 882 A HN 0.460 nan 8.150 nan 0.000 0.443 883 D N -0.428 119.884 120.400 -0.147 0.000 2.133 883 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 883 D C 1.810 178.058 176.300 -0.086 0.000 0.997 883 D CA 1.355 55.342 54.000 -0.021 0.000 0.840 883 D CB -0.143 40.708 40.800 0.086 0.000 0.947 883 D HN 0.436 nan 8.370 nan 0.000 0.452 884 L N -0.597 120.413 121.223 -0.355 0.000 2.027 884 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 884 L C 2.514 179.124 176.870 -0.433 0.000 1.074 884 L CA 0.534 55.092 54.840 -0.471 0.000 0.745 884 L CB -0.261 41.295 42.059 -0.838 0.000 0.898 884 L HN 0.050 nan 8.230 nan 0.000 0.433 885 V N -0.835 118.778 119.914 -0.502 0.000 2.295 885 V HA -0.355 3.765 4.120 -0.000 0.000 0.246 885 V C 2.431 178.466 176.094 -0.098 0.000 1.049 885 V CA 2.003 64.082 62.300 -0.368 0.000 1.024 885 V CB -0.835 30.775 31.823 -0.355 0.000 0.648 885 V HN 0.548 nan 8.190 nan 0.000 0.447 886 H N 0.049 119.016 119.070 -0.170 0.000 2.290 886 H HA -0.166 4.390 4.556 -0.000 0.000 0.298 886 H C 2.524 177.823 175.328 -0.048 0.000 1.087 886 H CA 1.828 57.821 56.048 -0.092 0.000 1.291 886 H CB 0.174 29.885 29.762 -0.085 0.000 1.369 886 H HN 0.417 nan 8.280 nan 0.000 0.492 887 S N -0.613 115.007 115.700 -0.134 0.000 2.383 887 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 887 S C 1.889 176.437 174.600 -0.086 0.000 1.030 887 S CA 1.505 59.621 58.200 -0.141 0.000 1.002 887 S CB -0.465 62.719 63.200 -0.027 0.000 0.829 887 S HN 0.605 nan 8.310 nan 0.000 0.467 888 H N 1.519 120.494 119.070 -0.158 0.000 2.293 888 H HA 0.013 4.569 4.556 -0.000 0.000 0.300 888 H C 1.877 177.148 175.328 -0.095 0.000 1.082 888 H CA 1.905 57.876 56.048 -0.128 0.000 1.308 888 H CB -0.509 29.145 29.762 -0.179 0.000 1.375 888 H HN 0.331 nan 8.280 nan 0.000 0.495 889 I N 0.461 120.963 120.570 -0.113 0.000 2.118 889 I HA -0.380 3.790 4.170 -0.000 0.000 0.241 889 I C 2.544 178.568 176.117 -0.155 0.000 1.070 889 I CA 1.930 63.152 61.300 -0.130 0.000 1.327 889 I CB -0.478 37.524 38.000 0.003 0.000 1.034 889 I HN 0.469 nan 8.210 nan 0.000 0.405 890 Q N 0.242 119.933 119.800 -0.182 0.000 2.135 890 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 890 Q C 2.355 178.274 176.000 -0.135 0.000 0.981 890 Q CA 2.047 57.747 55.803 -0.172 0.000 0.856 890 Q CB -0.253 28.335 28.738 -0.251 0.000 0.902 890 Q HN 0.653 nan 8.270 nan 0.000 0.425 891 S N -0.035 115.579 115.700 -0.144 0.000 2.453 891 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 891 S C 0.712 175.241 174.600 -0.118 0.000 1.005 891 S CA 0.837 58.969 58.200 -0.112 0.000 0.949 891 S CB -0.040 63.107 63.200 -0.088 0.000 0.774 891 S HN 0.453 nan 8.310 nan 0.000 0.510 892 N N 1.395 119.993 118.700 -0.169 0.000 2.753 892 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 892 N C -0.315 175.110 175.510 -0.143 0.000 1.097 892 N CA 1.226 54.185 53.050 -0.153 0.000 0.786 892 N CB -1.441 36.994 38.487 -0.088 0.000 1.137 892 N HN 0.978 nan 8.380 nan 0.000 0.566 893 E N 0.113 120.206 120.200 -0.177 0.000 2.366 893 E HA 0.161 4.511 4.350 -0.000 0.000 0.266 893 E C 0.648 177.230 176.600 -0.030 0.000 1.051 893 E CA -0.316 56.042 56.400 -0.069 0.000 0.884 893 E CB 0.686 30.387 29.700 0.001 0.000 1.006 893 E HN 0.338 nan 8.360 nan 0.000 0.417 894 L N 1.296 122.569 121.223 0.083 0.000 2.463 894 L HA 0.199 4.539 4.340 -0.000 0.000 0.219 894 L C 0.421 177.442 176.870 0.251 0.000 1.088 894 L CA 0.210 55.158 54.840 0.181 0.000 0.849 894 L CB 0.266 42.420 42.059 0.158 0.000 1.012 894 L HN 0.858 nan 8.230 nan 0.000 0.468 895 C N -4.246 115.164 119.300 0.183 0.000 3.176 895 C HA 0.464 4.924 4.460 -0.000 0.000 0.343 895 C C 0.199 175.245 174.990 0.093 0.000 1.332 895 C CA -1.202 57.888 59.018 0.121 0.000 1.200 895 C CB 0.714 28.500 27.740 0.076 0.000 1.440 895 C HN 0.210 nan 8.230 nan 0.000 0.458 896 S N 0.723 116.460 115.700 0.062 0.000 2.584 896 S HA 0.290 4.760 4.470 -0.000 0.000 0.270 896 S C 0.875 175.490 174.600 0.024 0.000 1.346 896 S CA 0.527 58.757 58.200 0.049 0.000 1.018 896 S CB 1.005 64.230 63.200 0.041 0.000 0.899 896 S HN 1.136 nan 8.310 nan 0.000 0.542 897 K N 0.744 121.156 120.400 0.021 0.000 2.103 897 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 897 K C 2.217 178.807 176.600 -0.018 0.000 1.048 897 K CA 1.600 57.892 56.287 0.008 0.000 0.930 897 K CB -0.425 32.081 32.500 0.010 0.000 0.716 897 K HN 0.634 nan 8.250 nan 0.000 0.444 898 Q N -0.031 119.747 119.800 -0.035 0.000 2.181 898 Q HA -0.154 4.185 4.340 -0.000 0.000 0.205 898 Q C 1.965 177.879 176.000 -0.143 0.000 0.980 898 Q CA 1.074 56.826 55.803 -0.085 0.000 0.862 898 Q CB -0.347 28.328 28.738 -0.104 0.000 0.905 898 Q HN 0.287 nan 8.270 nan 0.000 0.429 899 L N 1.115 122.257 121.223 -0.135 0.000 2.275 899 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 899 L C 2.142 178.975 176.870 -0.062 0.000 1.119 899 L CA 1.911 56.662 54.840 -0.149 0.000 0.790 899 L CB -0.579 41.433 42.059 -0.079 0.000 0.919 899 L HN 0.300 nan 8.230 nan 0.000 0.443 900 T N -3.307 111.228 114.554 -0.032 0.000 3.160 900 T HA 0.034 4.384 4.350 -0.000 0.000 0.257 900 T C 0.494 175.185 174.700 -0.015 0.000 1.147 900 T CA -0.042 62.056 62.100 -0.003 0.000 1.064 900 T CB -0.279 68.595 68.868 0.009 0.000 0.949 900 T HN 0.068 nan 8.240 nan 0.000 0.526 901 L N 1.864 123.063 121.223 -0.039 0.000 2.319 901 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 901 L C -0.394 176.451 176.870 -0.042 0.000 1.005 901 L CA -0.479 54.340 54.840 -0.034 0.000 0.828 901 L CB 1.769 43.808 42.059 -0.034 0.000 1.227 901 L HN 0.021 nan 8.230 nan 0.000 0.415 902 S N 2.580 118.267 115.700 -0.022 0.000 2.645 902 S HA 0.354 4.824 4.470 -0.000 0.000 0.266 902 S C -0.142 174.452 174.600 -0.010 0.000 1.258 902 S CA -0.620 57.572 58.200 -0.013 0.000 0.990 902 S CB 0.665 63.864 63.200 -0.002 0.000 0.967 902 S HN 0.797 nan 8.310 nan 0.000 0.556 903 C N 2.990 122.291 119.300 0.002 0.000 2.634 903 C HA 0.094 4.554 4.460 -0.000 0.000 0.417 903 C C -0.739 174.247 174.990 -0.006 0.000 1.334 903 C CA -0.790 58.228 59.018 0.002 0.000 1.829 903 C CB -0.638 27.106 27.740 0.007 0.000 2.665 903 C HN 0.712 nan 8.230 nan 0.000 0.614 904 P HA -0.064 nan 4.420 nan 0.000 0.219 904 P C 0.572 177.865 177.300 -0.011 0.000 1.146 904 P CA 1.397 64.492 63.100 -0.009 0.000 0.808 904 P CB 0.076 31.771 31.700 -0.010 0.000 0.779 905 L N -2.310 118.905 121.223 -0.013 0.000 3.202 905 L HA 0.222 4.562 4.340 -0.000 0.000 0.278 905 L C 0.366 177.225 176.870 -0.017 0.000 1.268 905 L CA -0.703 54.127 54.840 -0.016 0.000 1.034 905 L CB 0.045 42.091 42.059 -0.021 0.000 1.407 905 L HN -0.068 nan 8.230 nan 0.000 0.581 906 C N 1.494 120.787 119.300 -0.012 0.000 2.538 906 C HA 0.108 4.568 4.460 -0.000 0.000 0.408 906 C C 1.774 176.757 174.990 -0.012 0.000 1.421 906 C CA 0.194 59.206 59.018 -0.011 0.000 1.642 906 C CB 0.036 27.773 27.740 -0.003 0.000 2.553 906 C HN 0.445 nan 8.230 nan 0.000 0.604 907 V N 3.376 123.281 119.914 -0.014 0.000 3.159 907 V HA 0.342 4.462 4.120 -0.000 0.000 0.333 907 V C 0.283 176.371 176.094 -0.009 0.000 1.424 907 V CA -0.000 62.292 62.300 -0.012 0.000 1.125 907 V CB -0.797 31.017 31.823 -0.015 0.000 1.075 907 V HN 0.850 nan 8.190 nan 0.000 0.482 908 N N 2.954 121.649 118.700 -0.008 0.000 2.501 908 N HA 0.471 5.211 4.740 -0.000 0.000 0.245 908 N C -1.429 174.076 175.510 -0.008 0.000 0.974 908 N CA -2.139 50.908 53.050 -0.005 0.000 0.941 908 N CB 2.240 40.724 38.487 -0.004 0.000 1.122 908 N HN 0.136 nan 8.380 nan 0.000 0.507 909 P HA -0.065 nan 4.420 nan 0.000 0.230 909 P C 1.091 178.369 177.300 -0.036 0.000 1.158 909 P CA 0.472 63.564 63.100 -0.014 0.000 0.769 909 P CB 0.578 32.278 31.700 -0.001 0.000 0.807 910 V N -0.135 119.762 119.914 -0.028 0.000 2.548 910 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 910 V C 2.746 178.766 176.094 -0.124 0.000 1.055 910 V CA 1.545 63.802 62.300 -0.072 0.000 1.065 910 V CB -1.477 30.359 31.823 0.020 0.000 0.681 910 V HN 0.188 nan 8.190 nan 0.000 0.462 911 C N 1.238 120.508 119.300 -0.051 0.000 2.393 911 C HA -0.231 4.229 4.460 -0.000 0.000 0.276 911 C C 2.928 177.890 174.990 -0.046 0.000 1.215 911 C CA 1.723 60.726 59.018 -0.025 0.000 1.743 911 C CB -1.299 26.448 27.740 0.012 0.000 2.044 911 C HN 0.715 nan 8.230 nan 0.000 0.464 912 R N 1.227 121.692 120.500 -0.059 0.000 2.115 912 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 912 R C 1.695 177.929 176.300 -0.109 0.000 1.111 912 R CA 1.559 57.627 56.100 -0.054 0.000 0.976 912 R CB -0.532 29.746 30.300 -0.036 0.000 0.870 912 R HN 0.430 nan 8.270 nan 0.000 0.445 913 E N 1.065 121.123 120.200 -0.238 0.000 2.077 913 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 913 E C 2.029 178.319 176.600 -0.516 0.000 0.989 913 E CA 1.906 58.027 56.400 -0.465 0.000 0.800 913 E CB -0.524 28.654 29.700 -0.870 0.000 0.746 913 E HN 0.417 nan 8.360 nan 0.000 0.452 914 T N 1.855 116.147 114.554 -0.437 0.000 2.777 914 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 914 T C 1.781 176.605 174.700 0.207 0.000 1.040 914 T CA 1.319 63.357 62.100 -0.103 0.000 1.141 914 T CB -0.020 68.863 68.868 0.025 0.000 0.868 914 T HN 0.096 nan 8.240 nan 0.000 0.444 915 K N 1.495 121.976 120.400 0.135 0.000 2.020 915 K HA -0.137 4.183 4.320 -0.000 0.000 0.212 915 K C 2.359 179.070 176.600 0.184 0.000 1.050 915 K CA 1.930 58.327 56.287 0.183 0.000 0.929 915 K CB -0.542 32.006 32.500 0.081 0.000 0.714 915 K HN 0.301 nan 8.250 nan 0.000 0.443 916 S N 0.841 116.596 115.700 0.092 0.000 2.399 916 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 916 S C 1.631 176.280 174.600 0.081 0.000 1.022 916 S CA 1.244 59.486 58.200 0.070 0.000 0.983 916 S CB -0.548 62.671 63.200 0.032 0.000 0.803 916 S HN 0.430 nan 8.310 nan 0.000 0.480 917 F N 1.860 121.772 119.950 -0.064 0.000 2.065 917 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 917 F C 1.748 177.399 175.800 -0.248 0.000 1.112 917 F CA 1.548 59.448 58.000 -0.168 0.000 1.212 917 F CB -0.483 38.387 39.000 -0.216 0.000 0.975 917 F HN 0.141 nan 8.300 nan 0.000 0.476 918 F N 0.361 120.411 119.950 0.166 0.000 2.128 918 F HA -0.149 4.378 4.527 -0.000 0.000 0.295 918 F C 2.826 178.641 175.800 0.026 0.000 1.100 918 F CA 1.762 59.815 58.000 0.088 0.000 1.260 918 F CB -1.250 37.870 39.000 0.200 0.000 1.009 918 F HN 0.068 nan 8.300 nan 0.000 0.476 919 T N -3.512 111.157 114.554 0.192 0.000 2.915 919 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 919 T C 1.709 176.432 174.700 0.038 0.000 1.071 919 T CA 1.379 63.546 62.100 0.112 0.000 1.132 919 T CB -0.565 68.355 68.868 0.086 0.000 0.878 919 T HN 0.115 nan 8.240 nan 0.000 0.479 920 S N 0.955 116.646 115.700 -0.015 0.000 2.593 920 S HA 0.157 4.627 4.470 -0.000 0.000 0.217 920 S C 0.722 175.261 174.600 -0.101 0.000 0.966 920 S CA -0.271 57.896 58.200 -0.056 0.000 0.914 920 S CB -0.152 63.011 63.200 -0.063 0.000 0.776 920 S HN 0.472 nan 8.310 nan 0.000 0.523 921 Q N 2.092 121.817 119.800 -0.125 0.000 2.361 921 Q HA 0.073 4.413 4.340 -0.000 0.000 0.276 921 Q C 0.276 176.237 176.000 -0.066 0.000 1.022 921 Q CA 0.232 55.950 55.803 -0.140 0.000 0.898 921 Q CB 0.241 28.930 28.738 -0.083 0.000 1.246 921 Q HN 0.485 nan 8.270 nan 0.000 0.410 922 Q N 1.575 121.334 119.800 -0.068 0.000 2.315 922 Q HA 0.175 4.515 4.340 -0.000 0.000 0.289 922 Q C -0.845 175.140 176.000 -0.025 0.000 1.044 922 Q CA -0.052 55.725 55.803 -0.042 0.000 0.920 922 Q CB 0.274 28.986 28.738 -0.043 0.000 1.214 922 Q HN 0.456 nan 8.270 nan 0.000 0.392 923 L N 0.000 121.210 121.223 -0.022 0.000 2.949 923 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 923 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 923 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 923 L HN 0.000 nan 8.230 nan 0.000 0.502