# pipp Peak Pick Table, File: tocsy.PCK # Path: /banyo/data/gabrielc/nmr/22580/tocsy/1_800.fid # User: gabrielc # Date: Sun Aug 10 01:11:35 2003 # # Input Parameters: DATA DIMCOUNT 3 DATA X_AXIS 888 5203.65 799.79 4799.193 PPM 0.01 DATA Y_AXIS 223 5227.09 799.79 4793.334 PPM 0.01 DATA Z_AXIS 128 16090.11 201.11 15390.742 PPM 0.63 # HZ_START_X: -0.5PPM HZ_END_X: 6.00PPM # HZ_START_Y: -0.5PPM HZ_END_Y: 5.99PPM # SLICE_START_Z: 0 SLICE_END_Z: 128 # PK_X_DEV: 10.0, PK_Y_DEV: 10.0; PK_MIN_LEVALS: 2 # MAX_PARAB_XDEV: 47.99, MAX_PARAB_YDEV: 71.98 # MIN_UNIQUE_X: 4.39; MIN_UNIQUE_Y: 17.58; MIN_UNIQUE_Z: 94.28 # FORMAT %4d %3d %9.3f %8.4f %9.3f %+8.2e %s VARS PkID Sl.Z X Y Z Intensity Assign 598 10 1.033 3.8256 70.991 +3.14e+06 T63.CB,HB,HG2# 597 11 4.993 3.8211 70.422 +7.04e+06 T63.CB,HB,HA 560 11 4.278 4.2854 70.325 +4.79e+06 T57.CB,HB,HB 85 12 4.187 4.1873 69.914 +1.04e+07 T36.CB,HB,HA 84 12 4.580 4.1891 69.874 +9.75e+07 T36.CB,HB,HB 368 12 3.880 3.8822 69.601 +3.72e+06 T18.CB,HB,HB 369 12 3.922 3.8874 69.530 +7.72e+06 T18.CB,HB,HA 689 13 3.671 4.1837 69.099 +1.47e+07 T87.CA,HA,HB 3 13 2.729 3.7570 68.729 +6.12e+06 T74.CB,HB,HA 2 13 3.753 3.7616 68.723 +2.78e+06 T74.CB,HB,HB 653 16 0.917 3.4432 67.112 +4.23e+06 V80.CA,HA,HG2# 652 16 0.988 3.4451 67.102 +4.04e+06 V80.CA,HA,HG1# 654 17 3.443 3.4444 66.755 +1.26e+07 V80.CA,HA,HA 655 17 2.098 3.4389 66.726 +2.57e+06 V80.CA,HA,HB 110 17 0.477 2.8513 66.601 +4.87e+06 V20.CA,HA,HG1# 109 17 0.505 2.8553 66.584 +4.27e+06 V20.CA,HA,HG2# 7 17 0.725 3.0900 66.282 +2.88e+06 V71.CA,HA,HG2# 6 17 0.839 3.0874 66.279 +2.05e+06 V71.CA,HA,HG1# 9 17 1.807 2.8555 66.271 +3.70e+06 V20.CA,HA,HB 8 18 2.851 2.8528 66.205 +1.59e+07 V20.CA,HA,HA 691 18 1.282 3.6729 66.035 +6.75e+06 T87.CB,HB,HG2# 111 18 5.624 3.5895 65.952 +1.20e+07 S61.CB,HB1,HA 112 18 5.624 3.5287 65.941 +1.17e+07 S61.CB,HB2,HA 5 18 1.909 3.0894 65.906 +2.61e+06 V71.CA,HA,HB 690 18 4.183 3.6730 65.866 +2.10e+07 T87.CB,HB,HA 4 18 3.092 3.0919 65.859 +1.50e+07 V71.CA,HA,HA 108 18 2.346 4.1978 65.809 +4.66e+06 P77.CA,HA,HB# 419 18 0.681 3.6210 65.663 +1.87e+06 V31.CA,HA,HG2# 418 19 0.648 3.6150 65.510 +2.24e+06 V31.CA,HA,HG1# 417 19 1.955 3.6253 65.360 +2.22e+06 V31.CA,HA,HB 457 19 4.593 3.7104 65.356 +1.20e+07 S39.CB,HB#,HA 416 19 3.634 3.6115 65.254 +3.81e+07 V31.CA,HA,HA 637 20 0.514 2.7299 64.496 +2.31e+06 T74.CA,HA,HG2# 743 20 4.643 3.8157 64.432 +5.73e+07 S105.CB,HB#,HA 370 20 0.833 3.9345 64.411 +1.64e+06 T18.CA,HA,HG2# 635 21 2.729 2.7337 64.146 +3.31e+06 T74.CA,HA,HA 636 21 3.753 2.7294 64.117 +1.20e+07 T74.CA,HA,HB 279 21 3.815 3.8235 64.050 +8.44e+07 S4.CB,HB#,HB# 746 21 4.521 3.8267 63.967 +2.43e+08 S106.CB,HB#,HA 641 21 4.306 3.8349 63.848 +1.75e+07 S75.CB,HB1,HA 755 21 4.068 4.0652 63.818 +4.25e+06 T110.CB,HB,HB 874 22 4.199 4.0015 63.363 +4.49e+07 S32.CB,HB#,HA 239 23 1.969 4.1839 62.985 +6.55e+06 V103.CA,HA,HB 442 23 3.272 3.2724 62.904 +1.11e+07 V37.CA,HA,HA 737 23 1.808 3.9230 62.897 +4.20e+06 V100.CA,HA,HB 443 23 2.041 3.2684 62.836 +2.69e+06 V37.CA,HA,HB 241 23 0.976 4.1851 62.816 +5.01e+06 V103.CA,HA,HG2# 83 23 1.423 4.2056 62.809 +2.45e+06 T36.CA,HA,HG2# 82 23 4.568 4.2010 62.783 +9.10e+06 T36.CA,HA,HB 510 23 3.859 3.6996 62.771 +2.77e+07 S83.CB,HB#,HA 240 23 1.018 4.1839 62.756 +5.28e+06 V103.CA,HA,HG1# 444 23 0.707 3.2750 62.717 +3.01e+06 V37.CA,HA,HG1# 81 23 4.187 4.1906 62.701 +3.19e+07 T36.CA,HA,HA 445 23 0.540 3.2741 62.690 +3.48e+06 V37.CA,HA,HG2# 738 23 0.702 3.9219 62.618 +6.23e+06 V100.CA,HA,HG* 509 23 4.458 3.8496 62.560 +6.76e+06 S48.CB,HB1,HA 93 24 3.720 3.7199 62.416 +1.50e+08 S48.CB,HB2,HB2 709 24 1.341 4.2714 62.410 +4.66e+06 V94.CA,HA,HB 708 24 4.271 4.2734 62.345 +1.32e+07 V94.CA,HA,HA 253 24 2.028 4.1182 62.234 +5.85e+07 V108.CA,HA,HB 747 24 4.110 4.1108 62.185 +1.52e+08 V107.CA,HA,HA 710 24 0.693 4.2716 62.154 +5.06e+06 V94.CA,HA,HG1# 711 24 0.620 4.2710 62.150 +3.70e+06 V94.CA,HA,HG2# 558 24 4.921 4.9244 62.137 +5.49e+06 T57.CA,HA,HA 559 24 4.291 4.9212 62.124 +8.34e+06 T57.CA,HA,HB 255 24 0.886 4.1157 61.996 +5.12e+07 V108.CA,HA,HG2# 151 24 2.138 3.9887 61.953 +3.22e+06 I23.CA,HA,HB 219 24 2.476 4.8152 61.917 +3.06e+06 P99.CA,HA,HB2 220 24 2.036 4.8114 61.914 +3.46e+06 P99.CA,HA,HB1 254 24 0.909 4.1158 61.912 +8.15e+07 V108.CA,HA,HG1# 153 24 3.985 3.9872 61.910 +1.82e+07 I23.CA,HA,HA 152 24 1.612 3.9851 61.900 +4.24e+06 I90.CA,HA,HB 218 25 4.816 4.8163 61.675 +7.91e+06 P99.CA,HA,HA 161 25 0.412 3.9898 61.582 +3.86e+06 I90.CA,HA,HG2# 63 25 1.802 4.1813 61.562 +3.83e+06 I34.CA,HA,HB 594 25 4.992 4.9953 61.541 +3.25e+06 T63.CA,HA,HA 595 25 3.821 4.9955 61.484 +1.22e+07 T63.CA,HA,HB 668 25 2.777 4.2040 61.470 +6.44e+06 F82.CA,HA,HB1 667 25 3.314 4.2039 61.450 +7.53e+06 F82.CA,HA,HB2 273 25 4.277 4.6802 61.387 +3.68e+07 T3.CA,HA,HB 64 25 1.126 4.1812 61.329 +3.81e+06 I34.CA,HA,HG2# 596 25 1.032 4.9918 61.292 +2.14e+06 T63.CA,HA,HG2# 552 25 2.768 4.0386 61.270 +3.18e+06 F56.CA,HA,HB2 274 26 1.195 4.6790 61.196 +5.42e+06 T3.CA,HA,HG2# 553 26 3.085 4.0476 61.190 +3.20e+06 F56.CA,HA,HB1 272 26 4.671 4.6854 61.045 +5.40e+06 T3.CA,HA,HA 20 26 1.400 4.8140 60.962 +4.15e+06 V11.CA,HA,HB 699 26 2.949 4.5786 60.949 +3.27e+06 V89.CA,HA,HB 873 26 4.000 4.2011 60.845 +2.50e+07 S32.CA,HA,HB# 138 26 0.903 4.5815 60.832 +8.21e+06 V89.CA,HA,HG1# 139 26 1.031 4.5805 60.802 +5.28e+06 V89.CA,HA,HG2# 342 26 0.315 4.8132 60.757 +7.64e+06 V11.CA,HA,HG1# 21 26 0.378 4.8134 60.757 +7.11e+06 V11.CA,HA,HG2# 631 26 3.122 4.2663 60.741 +3.70e+06 F73.CA,HA,HB1 335 26 5.366 5.3669 60.625 +9.87e+06 V12.CA,HA,HA 632 27 3.194 4.2658 60.580 +3.22e+06 F73.CA,HA,HB2 136 27 2.449 4.0424 60.577 +3.46e+06 H79.CA,HA,HB2 137 27 3.187 4.0504 60.541 +4.21e+06 H79.CA,HA,HB1 336 27 1.737 5.3675 60.508 +7.14e+06 V12.CA,HA,HB 338 27 0.513 5.3671 60.313 +1.18e+07 V12.CA,HA,HG1# 337 27 0.607 5.3684 60.306 +1.17e+07 V12.CA,HA,HG2# 330 27 0.810 4.6855 60.228 +6.87e+06 V10.CA,HA,HG2# 329 27 0.477 4.6841 60.200 +6.23e+06 V10.CA,HA,HG1# 406 27 3.568 3.5712 60.120 +1.45e+07 E28.CA,HA,HA 407 27 2.418 3.5709 60.008 +4.70e+06 E28.CA,HA,HG1 408 27 2.119 3.5710 59.976 +8.70e+06 E28.CA,HA,HG2 409 27 2.029 3.5711 59.972 +4.34e+06 E28.CA,HA,HB# 203 28 5.587 5.5862 59.895 +6.79e+06 I93.CA,HA,HA 204 28 1.787 5.5884 59.817 +6.50e+06 I93.CA,HA,HB 972 28 1.640 5.5883 59.789 +1.59e+06 I93.CA,HA,HG11 205 28 0.962 5.5890 59.695 +8.06e+06 I93.CA,HA,HD1# 508 28 4.459 4.4636 59.547 +3.75e+06 S48.CA,HA,HA 683 28 2.761 4.0594 59.511 +5.67e+06 F86.CA,HA,HB2 663 28 4.059 4.0604 59.504 +3.48e+07 E81.CA,HA,HA 94 28 2.697 2.6987 59.489 +8.33e+06 K67.CA,HA,HA 353 28 2.940 4.8203 59.454 +5.38e+06 F14.CA,HA,HB1 352 28 3.281 4.8227 59.422 +4.66e+06 F14.CA,HA,HB2 96 28 1.180 2.6955 59.390 +2.53e+06 K67.CA,HA,HB2 95 28 1.519 2.7037 59.366 +2.65e+06 K67.CA,HA,HB1 925 28 1.093 2.7016 59.342 +1.90e+06 K67.CA,HA,HG1 926 29 1.453 2.7008 59.223 +2.08e+06 K67.CA,HA,HD# 355 29 4.122 4.1221 59.205 +2.56e+07 Y70.CA,HA,HA 383 29 2.211 4.0419 59.187 +1.86e+07 E22.CA,HA,HG# 927 29 0.536 2.7046 59.172 +1.74e+06 K67.CA,HA,HG2 384 29 2.064 4.0479 59.130 +2.05e+07 E22.CA,HA,HB# 38 29 4.019 4.0237 59.091 +3.76e+07 K25.CA,HA,HA 39 29 2.924 4.0242 59.090 +1.95e+06 K25.CA,HA,HE# 828 29 1.527 4.0265 59.053 +7.83e+06 K25.CA,HA,HG1 49 29 1.647 4.0259 59.041 +6.04e+06 K25.CA,HA,HD# 37 29 1.819 4.0271 59.030 +1.63e+07 K25.CA,HA,HB# 829 29 1.423 4.0247 59.020 +7.99e+06 K25.CA,HA,HG2 357 29 2.031 4.1197 58.970 +2.35e+07 E16.CA,HA,HB# 356 29 2.373 4.1141 58.937 +3.95e+07 E16.CA,HA,HG# 511 30 3.273 4.3315 58.672 +5.92e+06 H49.CA,HA,HB2 512 30 3.088 4.3316 58.668 +5.62e+06 H49.CA,HA,HB1 520 30 4.343 4.3439 58.566 +2.61e+07 M51.CA,HA,HA 854 30 0.578 3.8497 58.544 +5.20e+06 L30.CA,HA,HD1# 855 30 0.523 3.8534 58.506 +5.45e+06 L30.CA,HA,HD2# 521 30 2.711 4.3474 58.499 +1.37e+07 M51.CA,HA,HG1 853 30 1.435 3.8523 58.494 +1.27e+07 L30.CA,HA,HB1 852 30 1.636 3.8517 58.493 +1.09e+07 L30.CA,HA,HB2 523 30 2.242 4.3481 58.489 +9.16e+06 M51.CA,HA,HB1 517 30 3.849 3.8542 58.471 +1.32e+07 D50.CA,HA,HA 524 30 2.142 4.3465 58.462 +9.18e+06 M51.CA,HA,HB2 522 30 2.651 4.3480 58.456 +1.39e+07 M51.CA,HA,HG2 745 30 3.832 4.5260 58.288 +1.49e+08 S106.CA,HA,HB# 744 30 4.527 4.5285 58.285 +5.65e+07 S106.CA,HA,HA 639 31 3.856 4.3190 57.979 +1.36e+07 S75.CA,HA,HB1 640 31 3.804 4.3227 57.968 +1.63e+07 S75.CA,HA,HB2 113 31 4.293 4.2949 57.938 +1.49e+07 L78.CA,HA,HA 116 31 0.847 4.2877 57.865 +3.57e+06 L78.CA,HA,HD2# 115 31 0.897 4.2827 57.831 +3.33e+06 L78.CA,HA,HD1# 389 31 0.102 3.6096 57.821 +2.62e+06 L24.CA,HA,HD2# 114 31 1.435 4.2823 57.804 +1.02e+07 L78.CA,HA,HB2 397 31 1.189 3.6099 57.802 +8.79e+06 L24.CA,HA,HB1 396 31 1.110 3.6097 57.796 +2.65e+06 L24.CA,HA,HB2 278 31 3.811 4.6363 57.787 +8.63e+07 S4.CA,HA,HB# 390 31 0.160 3.6030 57.784 +1.95e+06 L24.CA,HA,HD1# 28 31 3.611 3.6113 57.774 +9.23e+06 L24.CA,HA,HA 285 31 2.501 4.7030 57.752 +5.35e+06 F6.CA,HA,HB2 284 31 2.574 4.7014 57.745 +4.99e+06 F6.CA,HA,HB1 963 31 1.815 4.2821 57.731 +9.30e+06 L78.CA,HA,HB1 837 31 0.069 3.3146 57.709 +2.17e+06 L27.CA,HA,HD2# 615 31 2.498 4.1557 57.694 +2.39e+07 D68.CA,HA,HB# 836 31 1.180 3.3085 57.683 +2.79e+06 L27.CA,HA,HG 277 31 4.640 4.6373 57.679 +1.58e+07 S4.CA,HA,HA 52 31 0.200 3.3143 57.640 +2.07e+06 L27.CA,HA,HD1# 777 31 1.360 4.1936 57.631 +1.78e+06 K15.CA,HA,HG1 498 31 2.380 4.5047 57.631 +1.27e+07 E47.CA,HA,HB1 778 31 1.094 4.1969 57.627 +1.20e+06 K15.CA,HA,HG2 50 31 1.556 3.3136 57.618 +8.38e+06 L27.CA,HA,HB2 499 31 2.312 4.5053 57.614 +1.26e+07 E47.CA,HA,HG# 51 31 1.008 3.3111 57.610 +6.28e+06 L27.CA,HA,HB1 27 31 3.310 3.3094 57.575 +9.16e+06 L27.CA,HA,HA 500 31 2.139 4.5058 57.506 +9.17e+06 E47.CA,HA,HB2 776 31 1.621 4.1880 57.480 +3.56e+06 K15.CA,HA,HB# 614 32 4.164 4.1630 57.385 +1.77e+07 D68.CA,HA,HA 376 32 2.543 4.1472 57.346 +4.26e+07 D21.CA,HA,HB2 375 32 2.646 4.1427 57.261 +3.35e+07 D21.CA,HA,HB1 456 32 3.686 4.5946 57.223 +1.53e+07 S39.CA,HA,HB# 906 32 1.149 4.4121 57.112 +3.42e+06 L52.CA,HA,HD1# 907 32 0.985 4.4184 57.091 +2.27e+06 L52.CA,HA,HD2# 904 32 2.194 4.4299 57.005 +8.08e+06 L52.CA,HA,HB1 905 32 1.805 4.4112 56.928 +1.30e+07 L52.CA,HA,HB2 536 32 2.639 3.9671 56.910 +4.09e+06 Q54.CA,HA,HG1 14 32 5.621 5.6207 56.856 +3.47e+06 S61.CA,HA,HA 642 33 3.398 4.3895 56.753 +4.74e+06 H76.CA,HA,HB2 643 33 2.955 4.3910 56.696 +5.26e+06 H76.CA,HA,HB1 577 33 3.615 5.6238 56.687 +1.08e+07 S61.CA,HA,HB1 578 33 3.512 5.6241 56.686 +1.14e+07 S61.CA,HA,HB2 534 33 2.503 3.9670 56.652 +6.47e+06 Q54.CA,HA,HG2 535 33 2.431 3.9696 56.512 +4.03e+06 Q54.CA,HA,HB# 423 33 2.356 4.3527 56.437 +5.10e+06 Q33.CA,HA,HG2 424 33 2.304 4.3519 56.432 +5.00e+06 Q33.CA,HA,HG1 436 33 2.689 4.3390 56.400 +2.59e+07 D35.CA,HA,HB2 533 33 3.965 3.9668 56.380 +1.44e+07 Q54.CA,HA,HA 435 33 2.815 4.3462 56.356 +4.87e+07 D35.CA,HA,HB1 414 33 2.748 4.3525 56.304 +2.66e+07 N29.CA,HA,HB1 422 34 4.351 4.3537 56.196 +4.20e+07 Q33.CA,HA,HA 602 34 2.803 4.7651 56.041 +4.96e+06 F64.CA,HA,HB2 569 34 3.448 5.3525 55.989 +4.39e+06 F60.CA,HA,HB2 601 34 3.534 4.7644 55.964 +4.87e+06 F64.CA,HA,HB1 570 34 3.236 5.3485 55.941 +7.09e+06 F60.CA,HA,HB1 1024 34 1.299 4.6050 55.861 +4.45e+06 K104.CA,HA,HG2 564 34 2.445 5.3889 55.811 +4.79e+06 H58.CA,HA,HB1 563 34 2.684 5.3841 55.802 +5.06e+06 H58.CA,HA,HB2 764 34 1.631 4.8241 55.799 +1.21e+06 K13.CA,HA,HD# 460 34 2.689 5.7729 55.764 +6.42e+06 F40.CA,HA,HB1 459 34 3.111 5.7712 55.763 +6.97e+06 F40.CA,HA,HB2 458 34 5.773 5.7762 55.653 +6.61e+06 F40.CA,HA,HA 1027 34 1.673 4.2440 55.650 +4.11e+06 K38.CA,HA,HB# 765 34 1.533 4.8283 55.633 +3.11e+06 K13.CA,HA,HG# 259 35 2.522 4.5018 55.478 +1.73e+07 M1.CA,HA,HG1 260 35 2.452 4.5023 55.469 +1.67e+07 M1.CA,HA,HG2 188 35 1.212 4.6866 55.356 +4.06e+06 K92.CA,HA,HG1 189 35 1.045 4.6828 55.316 +4.39e+06 K92.CA,HA,HG2 187 35 1.463 4.6795 55.263 +1.44e+07 K92.CA,HA,HB2 186 35 1.899 4.6832 55.242 +1.45e+07 K92.CA,HA,HB1 261 35 2.026 4.5062 55.225 +2.33e+07 M1.CA,HA,HB1 174 35 4.673 4.7042 55.210 +3.20e+06 K92.CA,HA,HA 262 35 1.966 4.4953 55.206 +2.61e+07 M1.CA,HA,HB2 258 35 4.500 4.5000 55.200 +6.54e+07 M1.CA,HA,HA 496 35 4.603 4.6044 55.182 +2.79e+07 K46.CA,HA,HA 497 35 2.031 4.6008 55.148 +1.48e+07 K46.CA,HA,HB1 675 35 1.454 4.1221 55.142 +4.78e+07 A84.CA,HA,HB# 1014 35 1.409 4.6060 55.138 +1.03e+07 K46.CA,HA,HG# 700 35 2.286 4.7943 55.128 +1.62e+07 D91.CA,HA,HB2 701 35 2.068 4.7930 55.109 +1.63e+07 D91.CA,HA,HB1 628 35 1.528 3.9933 55.019 +3.74e+07 A72.CA,HA,HB# 627 35 3.991 3.9931 54.994 +1.80e+07 A72.CA,HA,HA 676 36 4.119 4.1186 54.961 +2.11e+07 A84.CA,HA,HA 790 36 1.501 4.4833 54.895 +3.49e+06 K19.CA,HA,HG1 791 36 1.428 4.4968 54.861 +7.47e+06 K19.CA,HA,HG2 993 36 1.469 4.8357 54.851 +8.62e+06 L96.CA,HA,HG 788 36 1.845 4.4790 54.806 +7.42e+06 K19.CA,HA,HB1 363 36 2.847 4.4569 54.793 +1.88e+07 D17.CA,HA,HB2 364 36 2.777 4.4567 54.790 +1.82e+07 D17.CA,HA,HB1 789 36 1.797 4.4775 54.766 +8.33e+06 K19.CA,HA,HB2 362 36 4.461 4.4645 54.749 +4.03e+07 D17.CA,HA,HA 994 36 1.394 4.8324 54.568 +5.42e+06 L96.CA,HA,HB2 680 36 1.291 4.0823 54.361 +3.85e+07 A85.CA,HA,HB# 695 37 4.228 4.2289 54.331 +2.23e+07 A88.CA,HA,HA 679 37 4.081 4.0841 54.331 +2.25e+07 A85.CA,HA,HA 289 37 0.600 4.9034 54.315 +5.25e+06 K7.CA,HA,HB1 288 37 0.680 4.9159 54.295 +3.98e+06 K7.CA,HA,HB2 696 37 1.487 4.2293 54.166 +5.85e+07 A88.CA,HA,HB# 467 37 2.032 4.9352 54.130 +3.68e+06 E41.CA,HA,HG1 468 37 1.957 4.9330 54.108 +3.41e+06 E41.CA,HA,HG2 469 37 1.834 4.9366 54.012 +7.05e+06 E41.CA,HA,HB1 470 37 1.753 4.9327 53.995 +7.25e+06 E41.CA,HA,HB2 466 37 4.934 4.9342 53.950 +1.53e+07 E41.CA,HA,HA 974 37 5.218 5.2209 53.730 +9.91e+06 L95.CA,HA,HA 976 38 1.480 5.2201 53.708 +2.45e+07 L95.CA,HA,HB# 1033 38 1.265 4.7941 53.708 +1.61e+06 L9.CA,HA,HG 757 38 0.894 4.7976 53.707 +3.55e+06 L9.CA,HA,HB2 977 38 1.085 5.2221 53.670 +6.49e+06 L95.CA,HA,HD1# 975 38 1.588 5.2207 53.650 +4.14e+06 L95.CA,HA,HG 978 38 1.030 5.2208 53.629 +3.50e+06 L95.CA,HA,HD2# 488 38 1.417 4.7807 53.505 +4.89e+06 E44.CA,HA,HB2 486 38 1.723 4.7759 53.370 +4.69e+06 E44.CA,HA,HB1 487 38 1.565 4.7810 53.288 +1.86e+06 E44.CA,HA,HG# 321 38 3.173 5.4871 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73 0.838 1.9102 31.301 +3.63e+07 V71.CB,HB,HG1# 516 73 3.272 3.2740 31.273 +4.36e+06 H49.CB,HB2,HB2 148 73 1.030 2.9519 31.267 +1.88e+07 V89.CB,HB,HG2# 149 73 0.903 2.9525 31.220 +2.49e+07 V89.CB,HB,HG1# 150 74 4.579 2.9531 31.182 +4.00e+06 V89.CB,HB,HA 428 74 1.827 2.1697 30.982 +3.20e+06 Q33.CB,HB2,HB1 426 74 4.354 1.8253 30.977 +4.38e+06 Q33.CB,HB1,HA 429 74 2.304 1.8332 30.966 +1.73e+07 Q33.CB,HB1,HG1 421 74 0.651 1.9598 30.929 +3.44e+07 V31.CB,HB,HG1# 420 74 3.617 1.9732 30.897 +2.08e+06 V31.CB,HB,HA 455 74 0.704 2.0244 30.873 +2.70e+07 V37.CB,HB,HG1# 454 74 0.541 2.0425 30.850 +2.32e+07 V37.CB,HB,HG2# 1026 74 2.290 1.9508 30.833 +7.44e+07 E65.CB,HB#,HG1 427 74 2.357 1.8330 30.829 +1.67e+07 Q33.CB,HB1,HG2 453 74 3.268 2.0347 30.816 +2.34e+06 V37.CB,HB,HA 1025 74 4.153 1.9568 30.696 +9.15e+06 E65.CB,HB#,HA 664 75 4.064 2.0631 30.173 +1.76e+07 E81.CB,HB#,HA 665 75 2.034 2.0384 30.028 +8.53e+07 E81.CB,HB#,HB# 386 76 2.072 2.0670 29.883 +6.74e+07 E22.CB,HB#,HB# 361 76 2.371 2.0339 29.874 +2.65e+08 E16.CB,HB#,HG# 385 76 2.211 2.0678 29.857 +1.20e+08 E22.CB,HB#,HG# 305 76 2.433 1.3540 29.789 +2.85e+07 K7.CD,HD1,HE2 792 76 4.479 1.8215 29.746 +1.07e+07 K19.CB,HB1,HA 793 76 3.059 1.7638 29.731 +2.17e+08 K19.CB,HB2,HE# 893 76 4.605 1.4547 29.704 +2.84e+06 K46.CD,HD2,HA 896 76 1.762 1.7631 29.694 +1.19e+08 K46.CD,HD1,HD1 894 76 4.602 1.7570 29.682 +6.47e+06 K46.CD,HD1,HA 796 76 1.692 1.8210 29.659 +3.24e+07 K19.CB,HB1,HD# 795 76 1.503 1.8221 29.633 +1.45e+07 K19.CB,HB1,HG1 794 76 1.411 1.7639 29.571 +3.44e+07 K19.CB,HB2,HG2 895 76 1.449 1.4452 29.525 +6.28e+07 K46.CD,HD2,HD2 948 76 2.752 1.4502 29.485 +4.23e+07 K67.CD,HD#,HE2 947 76 2.804 1.4503 29.485 +4.19e+07 K67.CD,HD#,HE1 950 76 1.094 1.4559 29.482 +5.55e+06 K67.CD,HD#,HG1 413 76 3.570 2.0610 29.457 +5.76e+06 E28.CB,HB#,HA 949 76 1.182 1.4536 29.456 +5.00e+06 K67.CD,HD#,HB2 308 76 1.391 1.3169 29.396 +2.31e+07 K7.CD,HD2,HD1 304 76 1.386 1.3677 29.353 +2.31e+07 K7.CD,HD1,HD1 133 77 2.451 2.4488 29.244 +4.13e+06 H79.CB,HB2,HB2 135 77 2.450 3.1861 29.235 +3.01e+06 H79.CB,HB1,HB2 134 77 4.042 3.1890 29.214 +4.86e+06 H79.CB,HB1,HA 131 77 4.043 2.4492 29.180 +5.19e+06 H79.CB,HB2,HA 132 77 3.184 2.4518 29.058 +2.68e+06 H79.CB,HB2,HB1 772 77 1.422 1.6740 29.031 +4.07e+07 K13.CD,HD#,HB# 827 77 4.028 1.6514 29.007 +5.69e+06 K25.CD,HD#,HA 217 77 1.651 1.6515 28.985 +1.59e+08 K25.CD,HD#,HD# 770 77 2.923 1.6494 28.968 +3.09e+08 K13.CD,HD#,HE# 211 77 0.972 0.9788 28.966 +2.29e+07 I93.CG1,HG12,HG12 771 77 1.520 1.6668 28.942 +3.23e+07 K13.CD,HD#,HG# 215 77 1.817 1.6570 28.918 +5.09e+07 I93.CG1,HG11,HB 212 77 1.788 0.9618 28.860 +4.59e+06 I93.CG1,HG12,HB 216 77 1.647 0.9658 28.741 +2.45e+06 I93.CG1,HG12,HG11 214 77 5.582 1.6424 28.726 +2.49e+06 I93.CG1,HG11,HA 213 78 5.583 0.9744 28.712 +2.22e+06 I93.CG1,HG12,HA 1009 79 4.836 1.4747 27.940 +3.19e+06 L96.CG,HG,HA 1010 79 0.757 1.4776 27.882 +2.71e+07 L96.CG,HG,HD1# 1040 79 4.801 1.2714 27.854 +1.86e+06 L9.CG,HG,HA 1011 79 0.595 1.4752 27.824 +4.24e+07 L96.CG,HG,HD2# 1042 79 0.662 1.2599 27.807 +2.87e+07 L9.CG,HG,HD2# 816 79 3.988 1.5178 27.800 +2.44e+06 I23.CG1,HG11,HA 1041 79 2.098 1.2474 27.731 +1.52e+06 L9.CG,HG,HB1 820 79 1.495 1.5133 27.726 +4.38e+07 I23.CG1,HG11,HG11 767 79 1.507 1.5276 27.659 +4.26e+07 K13.CG,HG#,HG# 235 79 2.262 2.2951 27.645 +6.00e+06 P99.CG,HG2,HG1 819 79 0.696 1.2399 27.642 +2.64e+07 I23.CG1,HG12,HD1# 815 79 3.987 1.1802 27.610 +1.79e+06 I23.CG1,HG12,HA 103 79 2.346 1.8974 27.601 +2.31e+07 P77.CG,HG#,HB# 768 79 2.975 1.5353 27.600 +5.07e+07 K38.CD,HD#,HE# 238 79 2.476 2.2987 27.600 +1.07e+07 P99.CG,HG2,HB2 237 79 2.036 2.2902 27.598 +1.07e+07 P99.CG,HG2,HB1 236 79 2.335 2.2967 27.585 +5.45e+06 P99.CG,HG2,HG2 104 79 2.520 1.8978 27.541 +8.95e+06 P77.CG,HG#,HD2 818 79 2.138 1.1861 27.508 +3.40e+06 I23.CG1,HG12,HB 988 80 1.581 1.5765 27.436 +2.60e+07 L95.CG,HG,HG 817 80 2.141 1.5122 27.406 +3.28e+06 I23.CG1,HG11,HB 766 80 1.674 1.5293 27.394 +5.24e+06 K13.CG,HG#,HD# 989 80 1.086 1.5873 27.390 +5.58e+07 L95.CG,HG,HD1# 990 80 1.029 1.5831 27.385 +3.62e+07 L95.CG,HG,HD2# 987 80 5.222 1.5889 27.323 +3.08e+06 L95.CG,HG,HA 1004 80 4.834 0.6013 27.127 +6.45e+06 L96.CD2,HD2#,HA 1007 80 0.757 0.5968 27.126 +1.73e+08 L96.CD2,HD2#,HD1# 1005 80 1.477 0.5970 27.059 +3.91e+07 L96.CD2,HD2#,HG 992 80 1.029 1.0603 27.048 +3.05e+08 L95.CD2,HD2#,HD2# 986 80 1.480 1.0543 27.039 +3.81e+07 L95.CD2,HD2#,HB# 984 80 5.219 1.0585 27.032 +1.36e+07 L95.CD2,HD2#,HA 1006 80 1.395 0.5973 27.022 +8.70e+06 L96.CD2,HD2#,HB2 966 80 0.847 1.9053 27.021 +3.18e+07 **** 991 80 1.086 1.0558 26.974 +2.43e+08 L95.CD2,HD2#,HD1# 964 80 1.438 1.9074 26.965 +2.98e+06 L78.CG,HG,HB2 1008 80 0.596 0.5987 26.964 +1.26e+08 L96.CD2,HD2#,HD2# 985 80 1.589 1.0520 26.959 +8.49e+07 L95.CD2,HD2#,HG 965 80 0.897 1.9043 26.959 +2.23e+07 L78.CG,HG,HD1# 546 80 2.510 2.4606 26.874 +2.68e+07 Q54.CB,HB#,HG2 545 80 2.639 2.4603 26.869 +2.51e+07 Q54.CB,HB#,HG1 547 80 2.432 2.4591 26.855 +4.83e+06 Q54.CB,HB#,HB# 544 81 3.967 2.4682 26.778 +4.19e+06 Q54.CB,HB#,HA 1048 81 0.662 0.6593 26.745 +7.98e+07 L9.CD2,HD2#,HD2# 1045 81 1.263 0.6598 26.744 +1.98e+07 L9.CD2,HD2#,HG 1047 81 0.699 0.6596 26.726 +1.10e+08 L9.CD2,HD2#,HD1# 1044 81 2.097 0.6605 26.714 +4.94e+06 L9.CD2,HD2#,HB1 866 81 0.579 1.4544 26.714 +3.15e+07 L30.CG,HG,HD1# 1046 81 0.887 0.6603 26.713 +4.62e+06 L9.CD2,HD2#,HB2 32 81 3.613 1.2159 26.636 +3.33e+06 L24.CG,HG,HA 865 81 3.849 1.4543 26.579 +3.37e+06 L30.CG,HG,HA 850 81 3.307 1.1887 26.521 +3.20e+06 L27.CG,HG,HA 867 81 0.522 1.4510 26.492 +3.30e+07 L30.CG,HG,HD2# 851 81 0.197 1.1899 26.490 +2.34e+07 L27.CG,HG,HD1# 33 81 0.099 1.2040 26.476 +2.60e+07 L24.CG,HG,HD2# 781 81 4.191 1.0990 26.470 +1.99e+06 K15.CG,HG2,HA 168 81 0.785 1.3440 26.459 +1.74e+06 I90.CG1,HG12,HG11 785 81 1.358 1.0850 26.457 +2.18e+06 K15.CG,HG2,HG1 783 81 2.976 1.0959 26.408 +2.46e+07 K15.CG,HG2,HE# 165 81 1.617 0.7830 26.398 +3.84e+06 I90.CG1,HG11,HB 782 81 4.185 1.3731 26.373 +3.49e+06 K15.CG,HG1,HA 167 81 0.318 0.7832 26.361 +2.00e+07 I90.CG1,HG11,HD1# 166 81 0.413 0.7839 26.355 +7.49e+06 I90.CG1,HG11,HG2# 164 81 3.990 1.3270 26.354 +1.67e+06 I90.CG1,HG12,HA 170 81 0.318 1.3384 26.328 +2.10e+07 I90.CG1,HG12,HD1# 169 81 0.412 1.3435 26.313 +7.13e+06 I90.CG1,HG12,HG2# 163 81 3.988 0.7777 26.305 +1.55e+06 I90.CG1,HG11,HA 36 81 1.195 1.1955 26.271 +2.53e+07 L24.CG,HG,HG 784 81 2.976 1.3577 26.215 +2.53e+07 K15.CG,HG1,HE# 879 82 0.494 1.3847 26.120 +1.68e+07 I34.CG1,HG11,HD1# 877 82 4.188 -0.0163 26.118 +1.69e+06 I34.CG1,HG12,HA 880 82 1.125 1.4081 26.073 +5.74e+06 I34.CG1,HG11,HG2# 77 82 -0.004 -0.0113 26.019 +1.20e+06 I34.CG1,HG12,HG12 78 82 0.489 -0.0091 25.973 +1.60e+07 I34.CG1,HG12,HD1# 79 82 1.126 -0.0124 25.940 +6.02e+06 I34.CG1,HG12,HG2# 878 82 1.405 -0.0196 25.910 +1.56e+06 I34.CG1,HG12,HG11 80 82 1.801 -0.0043 25.907 +2.57e+06 I34.CG1,HG12,HB 916 82 4.414 1.1521 25.822 +6.72e+06 L52.CD1,HD1#,HA 919 82 1.150 1.1510 25.813 +1.39e+08 L52.CD1,HD1#,HD1# 917 82 2.204 1.1502 25.801 +9.40e+06 L52.CD1,HD1#,HB1 918 82 1.803 1.1502 25.793 +4.45e+07 L52.CD1,HD1#,HB2 920 82 0.986 1.1504 25.785 +1.51e+08 L52.CD1,HD1#,HD2# 881 82 1.460 1.4027 25.707 +1.60e+07 I34.CG1,HG11,HG11 871 82 0.579 0.5478 25.697 +2.16e+08 L30.CD1,HD1#,HD1# 868 82 3.850 0.5489 25.688 +1.06e+07 L30.CD1,HD1#,HA 869 82 1.636 0.5482 25.667 +1.82e+07 L30.CD1,HD1#,HB2 870 82 1.450 0.5483 25.605 +6.30e+07 L30.CD1,HD1#,HG 872 82 0.523 0.5501 25.589 +1.75e+08 L30.CD1,HD1#,HD2# 945 83 2.698 0.5376 25.379 +2.13e+06 K67.CG,HG2,HA 946 83 1.196 0.5460 25.368 +2.84e+06 K67.CG,HG2,HB2 129 83 1.815 0.8499 25.363 +1.17e+07 L78.CD2,HD2#,HB1 128 83 4.283 0.8469 25.358 +6.15e+06 L78.CD2,HD2#,HA 130 83 1.435 0.8560 25.335 +1.26e+07 L78.CD2,HD2#,HB2 127 83 0.848 0.8492 25.321 +1.26e+08 L78.CD2,HD2#,HD2# 899 83 4.603 1.4112 25.312 +1.59e+07 K46.CG,HG#,HA 316 83 0.897 0.8188 25.312 +1.47e+08 K7.CG,HG2,HG1 126 83 0.897 0.8494 25.312 +1.47e+08 L78.CD2,HD2#,HD1# 957 83 2.805 1.0928 25.310 +8.97e+06 K67.CG,HG1,HE1 943 83 2.805 0.5324 25.307 +8.84e+06 K67.CG,HG2,HE1 958 83 2.751 1.0940 25.301 +9.37e+06 K67.CG,HG1,HE2 961 83 0.528 1.0989 25.289 +4.09e+06 K67.CG,HG1,HG2 944 83 2.752 0.5336 25.285 +8.71e+06 K67.CG,HG2,HE2 1001 83 0.757 0.7569 25.284 +1.36e+08 L96.CD1,HD1#,HD1# 1023 83 4.602 1.3085 25.281 +1.12e+07 K104.CG,HG2,HA 1002 83 0.595 0.7564 25.279 +1.40e+08 L96.CD1,HD1#,HD2# 999 83 1.475 0.7568 25.278 +4.33e+07 L96.CD1,HD1#,HG 315 83 0.598 0.8253 25.274 +7.88e+07 K7.CG,HG2,HB2 900 83 3.060 1.4077 25.272 +8.75e+07 K46.CG,HG#,HE# 901 83 2.029 1.4057 25.255 +1.19e+07 K46.CG,HG#,HB1 1003 83 4.835 0.7579 25.227 +4.05e+06 L96.CD1,HD1#,HA 1000 83 1.397 0.7818 25.207 +1.04e+07 L96.CD1,HD1#,HB2 959 83 1.518 1.1011 25.206 +3.04e+06 K67.CG,HG1,HB1 902 83 1.761 1.4085 25.183 +5.18e+07 K46.CG,HG#,HD1 962 83 1.093 0.5182 25.164 +1.77e+06 K67.CG,HG2,HG1 960 83 1.448 1.0972 25.155 +9.89e+06 K67.CG,HG1,HD# 299 83 4.910 0.8483 25.138 +3.40e+06 K7.CG,HG2,HA 319 83 1.393 0.9017 25.114 +5.94e+06 K7.CG,HG1,HD1 297 83 2.646 0.8550 25.054 +1.16e+07 K7.CG,HG1,HE1 298 83 2.484 0.8541 25.038 +1.14e+07 K7.CG,HG2,HE2 834 83 4.028 1.4249 25.008 +6.76e+06 K25.CG,HG2,HA 833 83 4.027 1.4942 25.002 +6.76e+06 K25.CG,HG1,HA 318 83 1.331 0.8974 24.963 +4.49e+06 K7.CG,HG1,HD2 835 84 2.923 1.4324 24.870 +8.60e+07 K25.CG,HG2,HE# 46 84 2.923 1.4971 24.854 +8.55e+07 K25.CG,HG1,HE# 800 84 1.817 1.4547 24.804 +2.98e+07 K19.CG,HG2,HB2 801 84 1.655 1.4547 24.763 +4.06e+07 K19.CG,HG2,HD# 53 84 3.310 0.2048 24.684 +4.64e+06 L27.CD1,HD1#,HA 54 84 1.556 0.2009 24.654 +8.20e+06 L27.CD1,HD1#,HB2 55 84 1.010 0.2002 24.634 +6.73e+06 L27.CD1,HD1#,HB1 62 84 0.070 0.2015 24.587 +8.65e+07 L27.CD1,HD1#,HD2# 797 84 4.478 1.4820 24.574 +8.75e+06 K19.CG,HG1,HA 798 84 3.011 1.4624 24.555 +8.23e+07 K19.CG,HG2,HE# 56 84 0.200 0.2011 24.545 +7.91e+07 L27.CD1,HD1#,HD1# 195 85 1.462 1.2160 24.275 +6.34e+06 K92.CG,HG1,HB2 1032 85 1.508 1.4925 24.225 +3.54e+07 K38.CG,HG#,HG# 58 85 1.556 0.0707 24.201 +8.58e+06 L27.CD2,HD2#,HB2 59 85 1.007 0.0695 24.184 +6.97e+06 L27.CD2,HD2#,HB1 57 85 3.308 0.0688 24.183 +3.95e+06 L27.CD2,HD2#,HA 60 85 0.201 0.0710 24.177 +8.22e+07 L27.CD2,HD2#,HD1# 61 85 0.070 0.0720 24.140 +9.26e+07 L27.CD2,HD2#,HD2# 196 85 1.203 1.2082 24.120 +1.28e+07 K92.CG,HG1,HG1 197 85 1.046 1.2146 24.045 +4.79e+06 K92.CG,HG1,HG2 191 85 2.433 1.2115 24.006 +1.07e+07 K92.CG,HG1,HE# 193 85 1.210 1.0424 23.999 +5.50e+06 K92.CG,HG2,HG1 190 85 2.432 1.0435 23.998 +1.13e+07 K92.CG,HG2,HE# 192 85 1.893 1.0432 23.985 +1.67e+07 K92.CG,HG2,HB1 194 85 1.892 1.2130 23.976 +1.53e+07 K92.CG,HG1,HB1 787 85 1.423 1.4248 23.770 +2.71e+08 T36.CG2,HG2#,HG2# 87 86 4.570 1.4227 23.680 +4.63e+06 T36.CG2,HG2#,HB 86 86 4.196 1.4257 23.538 +3.08e+06 T36.CG2,HG2#,HA 1043 86 1.262 0.6998 23.244 +2.76e+07 L9.CD1,HD1#,HG 401 86 3.613 0.1537 23.156 +3.29e+06 L24.CD1,HD1#,HA 400 87 1.083 0.1201 23.083 +4.45e+06 L24.CD2,HD2#,HB2 34 87 3.611 0.1170 23.058 +3.13e+06 L24.CD2,HD2#,HA 921 87 4.414 0.9868 22.990 +3.24e+06 L52.CD2,HD2#,HA 968 87 1.434 0.8972 22.980 +9.67e+06 L78.CD1,HD1#,HB2 399 87 0.158 0.1228 22.974 +9.08e+07 L24.CD2,HD2#,HD1# 967 87 4.283 0.8882 22.911 +3.88e+06 L78.CD1,HD1#,HA 35 87 1.206 0.1195 22.903 +3.90e+07 L24.CD2,HD2#,HG 398 87 0.102 0.1162 22.835 +1.30e+08 L24.CD2,HD2#,HD2# 924 87 1.149 0.9864 22.832 +1.25e+08 L52.CD2,HD2#,HD1# 923 87 1.803 0.9832 22.784 +5.38e+07 L52.CD2,HD2#,HB2 568 87 5.276 0.8121 22.783 +5.91e+07 A59.CB,HB#,HA 922 87 2.205 0.9892 22.741 +8.93e+06 L52.CD2,HD2#,HB1 716 87 4.273 0.6931 22.718 +6.20e+06 V94.CG1,HG1#,HA 623 87 1.907 0.8701 22.692 +5.45e+07 V71.CG1,HG1#,HB 334 87 4.677 0.8105 22.673 +6.30e+06 V10.CG2,HG2#,HA 717 87 1.342 0.6931 22.621 +4.39e+07 V94.CG1,HG1#,HB 622 87 3.092 0.8393 22.531 +4.70e+06 V71.CG1,HG1#,HA 624 87 0.725 0.8396 22.501 +6.39e+07 V71.CG1,HG1#,HG2# 333 88 0.477 0.8070 22.452 +3.44e+07 V10.CG2,HG2#,HG1# 451 88 0.701 0.7009 22.417 +4.42e+08 V37.CG1,HG1#,HG1# 447 88 3.273 0.7073 22.239 +3.98e+06 V37.CG1,HG1#,HA 452 88 0.534 0.6922 22.161 +5.14e+07 V37.CG1,HG1#,HG2# 742 88 3.925 0.7043 22.132 +6.23e+06 V100.CG1,HG*,HA 450 88 0.705 0.5358 22.117 +5.73e+07 V37.CG2,HG2#,HG1# 446 88 3.273 0.5412 22.091 +4.69e+06 V37.CG2,HG2#,HA 448 88 2.043 0.5414 22.083 +2.73e+07 V37.CG2,HG2#,HB 741 88 1.808 0.7009 22.062 +7.88e+07 V100.CG2,HG*,HB 343 88 0.607 0.6072 22.047 +2.49e+08 V12.CG2,HG2#,HG2# 345 88 5.365 0.5987 22.022 +8.78e+06 V12.CG2,HG2#,HA 660 88 0.984 0.9870 22.006 +3.48e+08 V80.CG1,HG1#,HG1# 638 88 3.754 0.5125 22.004 +6.17e+06 T74.CG2,HG2#,HB 658 88 3.443 0.9901 21.988 +4.66e+06 V80.CG1,HG1#,HA 449 88 2.042 0.7079 21.964 +2.56e+07 V37.CG1,HG1#,HB 372 88 2.851 0.4803 21.961 +6.82e+06 V20.CG1,HG1#,HA 344 88 1.737 0.5980 21.960 +8.63e+07 V12.CG2,HG2#,HB 659 88 2.095 0.9883 21.898 +3.88e+07 V80.CG1,HG1#,HB 371 88 1.805 0.4819 21.866 +7.49e+07 V20.CG1,HG1#,HB 341 89 5.365 0.5391 21.800 +7.81e+06 V12.CG1,HG1#,HA 339 89 0.512 0.5132 21.746 +5.73e+08 V12.CG1,HG1#,HG1# 692 89 1.281 1.2827 21.728 +4.97e+08 T87.CG2,HG2#,HG2# 600 89 3.821 1.0338 21.683 +5.73e+06 T63.CG2,HG2#,HB 242 89 1.024 1.0197 21.673 +4.06e+08 V103.CG1,HG1#,HG1# 599 89 4.990 1.0298 21.668 +2.99e+06 T63.CG2,HG2#,HA 275 89 1.195 1.1951 21.661 +5.16e+08 T3.CG2,HG2#,HG2# 340 89 1.738 0.5271 21.539 +8.82e+07 V12.CG1,HG1#,HB 562 89 4.287 1.3584 21.518 +3.89e+06 T57.CG2,HG2#,HB 276 89 4.277 1.1897 21.487 +1.09e+07 T3.CG2,HG2#,HB 561 89 4.919 1.3572 21.479 +2.34e+06 T57.CG2,HG2#,HA 142 89 1.030 0.9057 21.470 +1.60e+08 V89.CG1,HG1#,HG2# 26 89 0.314 0.3144 21.463 +1.44e+08 V11.CG1,HG1#,HG1# 244 89 1.969 0.9967 21.459 +1.04e+08 V103.CG2,HG2#,HB 140 89 4.580 0.8976 21.453 +3.36e+06 V89.CG1,HG1#,HA 243 89 4.185 0.9964 21.444 +1.33e+07 V103.CG2,HG2#,HA 366 89 3.889 0.8302 21.442 +3.96e+06 T18.CG2,HG2#,HB 367 89 3.921 0.8343 21.323 +2.59e+06 T18.CG2,HG2#,HA 141 89 2.952 0.9032 21.298 +3.10e+07 V89.CG1,HG1#,HB 25 89 1.402 0.3127 21.294 +4.33e+07 V11.CG1,HG1#,HB 694 89 3.671 1.2821 21.265 +3.18e+06 T87.CG2,HG2#,HB 693 89 4.187 1.2560 21.263 +3.09e+07 T87.CG2,HG2#,HA 662 90 2.093 0.9216 20.986 +4.60e+07 V80.CG2,HG2#,HB 249 90 0.882 0.9002 20.961 +1.25e+09 V108.CG1,HG1#,HG2# 661 90 3.442 0.9211 20.920 +5.28e+06 V80.CG2,HG2#,HA 332 90 1.251 0.4752 20.918 +1.29e+07 V10.CG1,HG1#,HB 250 90 0.908 0.9083 20.883 +1.88e+09 V108.CG1,HG1#,HG1# 750 90 2.029 0.9050 20.878 +6.83e+08 V107.CG1,HG1#,HB 749 90 4.107 0.9130 20.866 +6.38e+07 V107.CG1,HG1#,HA 625 90 1.912 0.7198 20.846 +4.92e+07 V71.CG2,HG2#,HB 331 90 0.811 0.4774 20.829 +3.16e+07 V10.CG1,HG1#,HG2# 626 90 3.093 0.7259 20.794 +4.96e+06 V71.CG2,HG2#,HA 719 91 1.343 0.6218 20.566 +3.16e+07 V94.CG2,HG2#,HB 22 91 4.812 0.3722 20.502 +3.24e+06 V11.CG2,HG2#,HA 23 91 1.402 0.3765 20.459 +4.45e+07 V11.CG2,HG2#,HB 718 91 4.273 0.6170 20.455 +4.59e+06 V94.CG2,HG2#,HA 24 91 0.379 0.3778 20.298 +1.33e+08 V11.CG2,HG2#,HG2# 736 91 4.621 1.2938 19.978 +2.80e+07 A102.CB,HB#,HA 270 92 4.497 1.4310 19.651 +1.41e+08 A2.CB,HB#,HA 271 92 1.428 1.4298 19.639 +1.63e+08 A2.CB,HB#,HB# 754 92 1.357 1.3579 19.528 +3.36e+08 A109.CB,HB#,HB# 753 92 4.389 1.3583 19.500 +3.33e+08 A109.CB,HB#,HA 697 93 4.228 1.4877 19.042 +5.72e+07 A88.CB,HB#,HA 698 93 1.486 1.4866 19.027 +1.07e+08 A88.CB,HB#,HB# 144 93 0.903 1.0276 18.942 +3.56e+07 V89.CG2,HG2#,HG1# 146 93 2.953 1.0311 18.930 +2.45e+07 V89.CG2,HG2#,HB 145 93 4.577 1.0327 18.882 +2.81e+06 V89.CG2,HG2#,HA 160 93 0.413 0.4127 18.812 +9.14e+07 I90.CG2,HG2#,HG2# 143 93 1.030 1.0311 18.760 +8.97e+07 V89.CG2,HG2#,HG2# 162 93 1.341 0.4058 18.725 +5.54e+06 I90.CG2,HG2#,HG12 158 94 1.617 0.4128 18.708 +2.48e+07 I90.CG2,HG2#,HB 159 94 0.783 0.4103 18.679 +4.72e+06 I90.CG2,HG2#,HG11 732 94 4.501 0.7437 18.586 +2.53e+07 A101.CB,HB#,HA 733 94 0.738 0.7405 18.512 +3.61e+07 A101.CB,HB#,HB# 157 94 3.984 0.4067 18.503 +3.36e+06 I90.CG2,HG2#,HA 630 94 1.527 1.5260 18.272 +9.48e+07 A72.CB,HB#,HB# 67 94 1.126 1.1262 18.260 +7.47e+07 I34.CG2,HG2#,HG2# 882 94 1.406 1.1271 18.256 +2.90e+06 I34.CG2,HG2#,HG11 678 94 1.455 1.4570 18.208 +1.12e+08 A84.CB,HB#,HB# 66 94 1.800 1.1267 18.197 +1.83e+07 I34.CG2,HG2#,HB 68 94 0.488 1.1300 18.192 +3.20e+06 I34.CG2,HG2#,HD1# 75 94 -0.006 1.1278 18.174 +2.95e+06 I34.CG2,HG2#,HG12 629 94 3.991 1.5286 18.094 +3.66e+07 A72.CB,HB#,HA 682 95 1.291 1.2917 18.014 +7.50e+07 A85.CB,HB#,HB# 65 95 4.179 1.1268 17.980 +3.88e+06 I34.CG2,HG2#,HA 681 95 4.081 1.2921 17.979 +4.50e+07 A85.CB,HB#,HA 677 95 4.121 1.4545 17.957 +4.67e+07 A84.CB,HB#,HA 825 95 1.179 1.0467 17.746 +7.78e+06 I23.CG2,HG2#,HG12 822 95 2.137 1.0353 17.727 +2.30e+07 I23.CG2,HG2#,HB 824 95 1.520 1.0306 17.663 +4.34e+06 I23.CG2,HG2#,HG11 823 95 0.693 1.0363 17.627 +3.67e+06 I23.CG2,HG2#,HD1# 821 95 3.985 1.0364 17.607 +3.47e+06 I23.CG2,HG2#,HA 251 96 0.855 0.8817 17.254 +2.35e+06 V108.CG2,HG2#,HG2# 252 96 2.081 0.8405 16.992 +1.27e+06 V108.CG2,HG2#,HB 210 99 0.961 0.9578 15.277 +1.65e+08 I93.CD1,HD1#,HD1# 209 99 1.787 0.9562 15.276 +3.42e+07 I93.CD1,HD1#,HB 208 99 5.588 0.9588 15.256 +6.01e+06 I93.CD1,HD1#,HA 973 99 1.645 0.9445 15.201 +2.44e+07 I93.CD1,HD1#,HG11 70 100 0.488 0.4890 14.541 +5.72e+07 I34.CD1,HD1#,HD1# 76 100 -0.008 0.4891 14.517 +1.40e+07 I34.CD1,HD1#,HG12 876 100 1.404 0.4881 14.511 +1.57e+07 I34.CD1,HD1#,HG11 875 100 1.801 0.4892 14.496 +8.61e+06 I34.CD1,HD1#,HB 69 100 1.125 0.4874 14.343 +4.58e+06 I34.CD1,HD1#,HG2# 17 101 0.318 0.3179 13.992 +4.88e+07 I90.CD1,HD1#,HD1# 171 101 1.339 0.3178 13.970 +2.64e+07 I90.CD1,HD1#,HG12 172 101 0.785 0.3180 13.966 +2.18e+07 I90.CD1,HD1#,HG11 1 101 1.617 0.3165 13.957 +1.10e+07 I90.CD1,HD1#,HB 173 101 0.412 0.3153 13.859 +5.76e+06 I90.CD1,HD1#,HG2# 809 108 1.035 0.6961 9.819 +2.38e+06 I23.CD1,HD1#,HG2# 806 108 2.137 0.6941 9.736 +6.47e+06 I23.CD1,HD1#,HB 807 108 1.519 0.6928 9.697 +1.14e+07 I23.CD1,HD1#,HG11 808 108 1.181 0.6932 9.688 +1.52e+07 I23.CD1,HD1#,HG12 810 108 0.694 0.6935 9.682 +5.72e+07 I23.CD1,HD1#,HD1#