1 GLU 1 999.9900 1.2631 999.9900 -1.0323 .6899 .3069 .6659 .5040 .5776 .4181 2 ALA 2 -1.2898 999.9900 999.9900 999.9900 .7458 -.2720 .6593 .3193 .4610 .1087 3 GLU 3 -3.2255 .1870 999.9900 1.1588 .6899 -.2975 .6820 .5294 .5930 .0036 4 VAL 4 -2.4231 999.9900 -.5532 999.9900 .7810 -.7317 .6564 .1297 .3492 -.2818 5 HIS 5 -.9818 -2.4183 999.9900 999.9900 .6686 -.9105 .6740 .3238 .4697 -.3467 6 ASN 6 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6756 .3865 .5070 -.7391 7 GLN 7 -2.6620 -.7946 999.9900 1.3059 .5113 -.4099 .6772 .5256 .5887 -.0728 8 LEU 8 -.0766 -2.9612 999.9900 999.9900 .9565 -.6937 .6753 .1696 .3803 -.2473 9 GLU 9 -.4497 -1.3104 999.9900 -1.0323 .6899 -.5256 .6752 .5213 .5854 -.1510 10 ILE 10 -.1366 .2838 999.9900 999.9900 .6034 .2502 .6607 .0395 .2984 .2902 11 LYS 11 -.1715 -.4196 999.9900 -.4035 .7460 -.1304 .6769 .1672 .3796 .0274 12 PHE 12 .0490 .5589 999.9900 999.9900 .7573 .4551 .6787 .1111 .3476 .4310 13 ARG 13 -.6502 -.9796 999.9900 .1593 .8581 -.0906 .6727 .5140 .5801 .1048 14 LEU 14 -1.2495 -2.4128 999.9900 999.9900 .9565 -.9020 .6753 .1489 .3682 -.3763 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6619 -.2533 .1280 .0911 16 ASP 16 .0771 .1890 999.9900 999.9900 .8104 .3588 .6745 .3892 .5081 .4280 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5671 .4632 .5094 .7125 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6685 .5338 .5899 .2897 19 ASP 19 -.9509 -2.3194 999.9900 999.9900 .8104 -.8200 .6784 .3860 .5078 -.2791 20 ILE 20 -.4035 -3.0500 999.9900 999.9900 .6034 -.9500 .6529 .0403 .2956 -.4314 21 GLY 21 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .3686 .4859 .4338 -.0340 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5505 -.3925 .0004 .2455 23 LYS 23 -.2799 -2.1617 999.9900 -.0397 .7460 -.3550 .6749 .1536 .3708 -.1352 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6725 .3172 .4652 .2503 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4826 .1022 .2607 .1226 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5538 -.3599 .0208 .2658 27 ASP 27 .2994 .9332 999.9900 999.9900 .8104 .6810 .6742 .3812 .5033 .6197 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6605 .3216 .4628 .2132 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6623 -.2609 .1238 -.0511 30 THR 30 -.6210 999.9900 -.2947 999.9900 .4476 -.1561 .6625 -.2689 .1192 -.0149 31 VAL 31 -.8511 999.9900 -1.0788 999.9900 .7810 -.3829 .6606 .1187 .3445 -.0739 32 SER 32 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6824 .5412 .6000 .4027 33 ALA 33 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .6716 .3253 .4696 .2862 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6770 .1541 .3720 -.1420 35 LYS 35 .6751 -2.1617 999.9900 -.4035 .7460 -.3095 .6755 .1663 .3785 -.1008 36 GLU 36 .6116 -1.0866 999.9900 .3501 .6899 .1413 .6739 .5295 .5896 .2947 37 THR 37 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6632 -.2520 .1293 .1499 38 VAL 38 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6584 .1301 .3502 .2434 39 ILE 39 .7069 .6227 999.9900 999.9900 .6034 .6443 .6487 .0418 .2946 .5247 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6810 .5387 .5980 .4080 41 GLU 41 .5470 -.8493 999.9900 .3501 .6899 .1844 .6831 .5290 .5932 .3250 42 TRP 42 -.2716 -3.3859 999.9900 999.9900 .9378 -.9066 .4835 .1857 .3098 -.4101 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5410 -.3762 .0060 -.4255 44 ARG 44 .2784 -1.6149 999.9900 .1593 .8581 -.0319 .6782 .5206 .5863 .1484 45 GLU 45 -.1289 -.5367 999.9900 1.1588 .6899 .2958 .6795 .5203 .5867 .3972 46 LYS 46 -2.5748 -1.4228 999.9900 .2495 .7460 -.5505 .6764 .1612 .3759 -.2736 47 GLU 47 -3.2255 -.8493 999.9900 -1.0323 .6899 -1.1043 .6808 .5293 .5924 -.5345 48 ASN 48 -2.5793 -1.2512 999.9900 999.9900 .7518 -1.0262 .6804 .3934 .5130 -.4010 49 GLY 49 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .3546 .4764 .4222 .0353 50 PRO 50 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5536 -.3606 .0203 .2543 51 LYS 51 -3.5196 -1.6955 999.9900 .1731 .7460 -.8246 .6839 .1610 .3789 -.4683 52 THR 52 -.1094 999.9900 .0483 999.9900 .4476 .1288 .6532 -.2537 .1242 .1572 53 VAL 53 .7683 999.9900 -1.0788 999.9900 .7810 .1569 .6622 .1086 .3393 .2483 54 LYS 54 .0195 -.7357 999.9900 -.4035 .7460 -.1554 .6740 .1701 .3801 .0096 55 GLU 55 -1.9096 .6303 999.9900 .3501 .6899 -.0598 .6722 .5236 .5856 .1594 56 VAL 56 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .6640 .1243 .3492 .1656 57 LYS 57 -.2512 -1.3520 999.9900 -.0770 .7460 -.2022 .6710 .1407 .3617 -.0285 58 LEU 58 .0762 -1.8410 999.9900 999.9900 .9565 -.2694 .6799 .1536 .3729 .0050 59 ILE 59 -.1241 .0348 999.9900 999.9900 .6034 .1713 .6563 .0267 .2890 .2394 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6813 .5411 .5995 -.0069 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6628 .3235 .4649 -.0053 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5754 .4586 .5105 .6157 63 LYS 63 -.2023 -1.9682 999.9900 -.4035 .7460 -.4463 .6783 .1590 .3754 -.1992 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6533 .1253 .3453 .0065 65 LEU 65 -.0411 -2.3037 999.9900 999.9900 .9565 -.4628 .6764 .1617 .3761 -.1100 66 GLU 66 -.4325 -2.8418 999.9900 -1.0323 .6899 -.9042 .6713 .5143 .5797 -.4052 67 ASN 67 .1528 -1.8756 999.9900 999.9900 .7518 -.3236 .6773 .3790 .5033 .0171 68 SER 68 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6752 .5299 .5904 .2539 69 LYS 69 -1.2016 .0381 999.9900 -.4035 .7460 -.2449 .6803 .1602 .3769 -.0549 70 THR 70 -.1684 999.9900 -.8810 999.9900 .4476 -.2006 .6528 -.2523 .1248 -.0403 71 VAL 71 .7260 999.9900 .7395 999.9900 .7810 .7489 .6622 .1228 .3475 .6063 72 LYS 72 .8536 .7020 999.9900 -.4035 .7460 .2989 .6785 .1615 .3769 .3335 73 ASP 73 .6418 -1.7105 999.9900 999.9900 .8104 -.0861 .6758 .3899 .5090 .1615 74 TYR 74 -.4486 -4.1972 999.9900 999.9900 .5630 -1.3609 .6782 -.1698 .1835 -.7149 75 ARG 75 -.4636 -1.7413 999.9900 .1593 .8581 -.2056 .6802 .5151 .5839 .0239 76 SER 76 -.6561 999.9900 -.7153 999.9900 .6705 -.2336 .4798 .5257 .5066 .0609 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5516 -.3695 .0143 .1609 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6594 .1311 .3512 -.7696 79 SER 79 -.7443 999.9900 -.7153 999.9900 .6705 -.2630 .6743 .5283 .5891 .0827 80 ASN 80 -3.4329 -1.2512 999.9900 999.9900 .7518 -1.3107 .6749 .3864 .5066 -.5742 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6778 .1601 .3758 -1.0704 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6667 .3191 .4639 -.4333 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5944 .4780 .5297 -.4064 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6653 .3261 .4674 .1553 85 VAL 85 -.7345 999.9900 -.2457 999.9900 .7810 -.0664 .6596 .1283 .3497 .1177 86 THR 86 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6517 -.2476 .1271 .0614 87 THR 87 .2184 999.9900 .0483 999.9900 .4476 .2381 .6533 -.2596 .1208 .2216 88 MET 88 -.2651 -1.4323 999.9900 .9587 .5203 -.0546 .6822 .5190 .5870 .1638 89 HIS 89 -.2420 .8055 999.9900 999.9900 .6686 .4107 .6803 .3206 .4705 .4466 90 VAL 90 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6557 .1238 .3454 .1127 91 ILE 91 .0187 -3.0500 999.9900 999.9900 .6034 -.8093 .6593 .0380 .2969 -.3461 92 ILE 92 .2768 -2.2551 999.9900 999.9900 .6034 -.4583 .6570 .0328 .2929 -.1370 93 GLN 93 -1.2769 .7602 999.9900 1.3059 .5113 .3251 .6784 .5196 .5858 .4164 94 ALA 94 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .4962 .3170 .3917 .0273 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5384 -.3739 .0062 .0794 96 VAL 96 -4.3409 999.9900 .4980 999.9900 .7810 -1.0206 .6581 .1236 .3463 -.4560 97 THR 97 -.3368 999.9900 -.8810 999.9900 .4476 -.2567 .6620 -.2552 .1270 -.0727 98 GLU 98 -3.2255 -.7859 999.9900 -1.0323 .6899 -1.0885 .6760 .5191 .5844 -.5265 99 LYS 99 -3.5196 -1.5020 999.9900 -.0770 .7460 -.8859 .6744 .1524 .3699 -.5147 100 GLU 100 -3.2255 -1.7714 999.9900 -1.0323 .6899 -1.3348 .6774 .5243 .5881 -.6896 101 LYS 101 999.9900 -2.9005 999.9900 .6315 999.9900 -.5458 .6706 -.0163 .2781 -.1966 Means: -.7484 -1.2898 -.6520 -.0323 .6979 -.2901 .6482 .2069 .3915 -.0146 2.00 analyzed_17