1 GLU 1 999.9900 -.5367 999.9900 -1.0323 .6899 -.2930 .6766 .5075 .5844 .0610 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6639 .3134 .4595 -.4354 3 GLU 3 -2.0601 -2.8418 999.9900 -1.0323 .6899 -1.3111 .6818 .5221 .5887 -.6734 4 VAL 4 -2.2509 999.9900 .4980 999.9900 .7810 -.3239 .6598 .1218 .3460 -.0380 5 HIS 5 -1.3805 -.5551 999.9900 999.9900 .6686 -.4223 .6742 .3198 .4674 -.0546 6 ASN 6 -3.4329 -1.0148 999.9900 999.9900 .7518 -1.2320 .6776 .3864 .5077 -.5264 7 GLN 7 -1.9302 -2.6982 999.9900 1.3059 .5113 -.7028 .6833 .5216 .5890 -.2677 8 LEU 8 .0762 -2.7185 999.9900 999.9900 .9565 -.5619 .6772 .1559 .3731 -.1705 9 GLU 9 -.4497 -2.3808 999.9900 -1.0323 .6899 -.7932 .6818 .5226 .5890 -.3281 10 ILE 10 -.1366 .4983 999.9900 999.9900 .6034 .3217 .6592 .0358 .2956 .3320 11 LYS 11 -.1715 -2.9005 999.9900 -.4035 .7460 -.6266 .6810 .1566 .3751 -.3279 12 PHE 12 .0900 .9147 999.9900 999.9900 .7573 .5873 .6760 .1082 .3448 .5092 13 ARG 13 -.8609 -.2995 999.9900 1.0005 .8581 .3397 .6714 .5234 .5851 .4134 14 LEU 14 -3.0384 -2.9612 999.9900 999.9900 .9565 -1.6810 .6792 .1633 .3782 -.8401 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6553 -.2694 .1159 .0865 16 ASP 16 .0771 -1.3712 999.9900 999.9900 .8104 -.1612 .6802 .3868 .5091 .1167 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5889 .4691 .5224 .7194 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6776 .5336 .5936 .2832 19 ASP 19 -.9509 -3.1847 999.9900 999.9900 .8104 -1.1084 .6836 .3815 .5074 -.4520 20 ILE 20 .2593 -3.0500 999.9900 999.9900 .6034 -.7291 .6641 .0525 .3073 -.2941 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3481 .4768 .4196 .0210 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5492 -.3465 .0267 .2567 23 LYS 23 -.3414 -2.1617 999.9900 -.4035 .7460 -.5128 .6730 .1501 .3680 -.2487 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6714 .3095 .4603 .2247 25 PHE 25 -.4973 -1.1403 999.9900 999.9900 .7573 -.2934 .5020 .1135 .2754 -.0530 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5453 -.3689 .0120 .2614 27 ASP 27 .2994 .5558 999.9900 999.9900 .8104 .5552 .6770 .3862 .5074 .5458 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6647 .3249 .4665 .2151 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6580 -.2411 .1336 -.0480 30 THR 30 -.3748 999.9900 .7650 999.9900 .4476 .2792 .6606 -.2536 .1274 .2490 31 VAL 31 -.8511 999.9900 .1416 999.9900 .7810 .0239 .6484 .1298 .3459 .1700 32 SER 32 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6768 .5335 .5932 .3803 33 ALA 33 .3573 999.9900 999.9900 999.9900 .7458 .5516 .6652 .3254 .4670 .5234 34 LEU 34 .6296 -2.9612 999.9900 999.9900 .9565 -.4584 .6752 .1538 .3710 -.1092 35 LYS 35 .8536 -1.6955 999.9900 .4411 .7460 .1573 .6762 .1577 .3737 .2315 36 GLU 36 .8604 -2.8418 999.9900 1.1588 .6899 -.0332 .6790 .5161 .5840 .1771 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6580 -.2659 .1191 .1607 38 VAL 38 1.0462 999.9900 -.2457 999.9900 .7810 .5272 .6557 .1074 .3359 .4689 39 ILE 39 .7069 .6227 999.9900 999.9900 .6034 .6443 .6635 .0527 .3072 .5298 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6770 .5332 .5931 .4083 41 GLU 41 .3258 -1.2470 999.9900 -1.0323 .6899 -.3159 .6801 .5196 .5865 -.0106 42 TRP 42 -.2990 -.3018 999.9900 999.9900 .9378 .1123 .4979 .1862 .3161 .2042 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5506 -.3665 .0156 -.1949 44 ARG 44 .2784 -2.8571 999.9900 .9503 .8581 .0360 .6711 .5202 .5831 .1959 45 GLU 45 -.1289 -.8834 999.9900 -1.0323 .6899 -.3387 .6766 .5217 .5863 -.0261 46 LYS 46 -3.5196 -1.4228 999.9900 -.4035 .7460 -1.0007 .6660 .1551 .3680 -.5975 47 GLU 47 -.5863 .4158 999.9900 .3501 .6899 .2174 .6776 .5135 .5819 .3434 48 ASN 48 -.3337 -.0024 999.9900 999.9900 .7518 .1386 .6757 .3853 .5063 .2954 49 GLY 49 -.7504 999.9900 999.9900 999.9900 .7883 .0189 .3514 .4690 .4167 .2146 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5396 -.3847 .0004 -.4093 51 LYS 51 -3.5196 -2.9005 999.9900 -.4035 .7460 -1.2962 .6795 .1601 .3765 -.8059 52 THR 52 -.7928 999.9900 .4804 999.9900 .4476 .0451 .6634 -.2594 .1251 .1078 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6563 .1239 .3457 .2097 54 LYS 54 .0195 -.3710 999.9900 -.4035 .7460 -.0825 .6796 .1630 .3782 .0614 55 GLU 55 -1.0962 .3748 999.9900 -1.0323 .6899 -.2659 .6765 .5221 .5864 .0225 56 VAL 56 .3894 999.9900 -1.0788 999.9900 .7810 .0306 .6538 .1279 .3470 .1747 57 LYS 57 -.3286 -.1933 999.9900 .3240 .7460 .1744 .6769 .1538 .3717 .2433 58 LEU 58 -.0536 -2.5464 999.9900 999.9900 .9565 -.5478 .6775 .1558 .3732 -.1620 59 ILE 59 .5210 -3.0500 999.9900 999.9900 .6034 -.6419 .6571 .0412 .2978 -.2455 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6737 .5248 .5869 -.0020 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6731 .3107 .4617 -.0059 62 GLY 62 .4052 999.9900 999.9900 999.9900 .7883 .5967 .5849 .4785 .5258 .5642 63 LYS 63 -.3099 -1.5918 999.9900 .3546 .7460 -.0893 .6773 .1585 .3747 .0556 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6552 .1135 .3392 .0045 65 LEU 65 -.3896 -3.3760 999.9900 999.9900 .9565 -.9364 .6789 .1581 .3751 -.3944 66 GLU 66 -.5863 -1.4588 999.9900 -1.0323 .6899 -.5969 .6754 .5181 .5837 -.1990 67 ASN 67 .1528 -1.0148 999.9900 999.9900 .7518 -.0367 .6720 .3802 .5018 .1884 68 SER 68 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6806 .5318 .5938 .2571 69 LYS 69 -.9723 1.2989 999.9900 -.0770 .7460 .1837 .6745 .1483 .3676 .2488 70 THR 70 -.1684 999.9900 -.8810 999.9900 .4476 -.2006 .6575 -.2645 .1197 -.0418 71 VAL 71 .3707 999.9900 .8662 999.9900 .7810 .6726 .6567 .1252 .3467 .5599 72 LYS 72 .6780 -.1697 999.9900 .2868 .7460 .3656 .6759 .1575 .3735 .3802 73 ASP 73 .2251 -2.8653 999.9900 999.9900 .8104 -.6099 .6783 .3799 .5043 -.1543 74 TYR 74 -1.4375 -4.1972 999.9900 999.9900 .5630 -1.6906 .6862 -.1796 .1811 -.9130 75 ARG 75 -2.9267 -1.5080 999.9900 .5548 .8581 -.4934 .6778 .5246 .5884 -.1807 76 SER 76 -.9779 999.9900 -.7153 999.9900 .6705 -.3409 .4861 .5377 .5162 .0002 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 .4496 -1.7173 .5425 -.3629 .0144 -.8137 78 VAL 78 -3.0988 999.9900 -.5532 999.9900 .8778 -.9247 .6553 .1195 .3428 -.3999 79 SER 79 -2.4175 999.9900 -.7153 999.9900 .6705 -.8208 .6743 .5364 .5939 -.2503 80 ASN 80 -1.4401 -.5409 999.9900 999.9900 .7518 -.4097 .6760 .3890 .5086 -.0328 81 LEU 81 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6833 .1535 .3743 -.9876 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6657 .3132 .4601 -.4350 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5879 .4666 .5205 -.4109 84 ALA 84 -.2213 999.9900 999.9900 999.9900 .7458 .2622 .6665 .3071 .4569 .3745 85 VAL 85 -1.1433 999.9900 .7395 999.9900 .7810 .1257 .6530 .1162 .3399 .2293 86 THR 86 .4171 999.9900 .6346 999.9900 .4476 .4997 .6542 -.2685 .1159 .3770 87 THR 87 .2184 999.9900 .0483 999.9900 .4476 .2381 .6589 -.2454 .1314 .2255 88 MET 88 -.3503 -1.7864 999.9900 .9587 .5203 -.1644 .6742 .5216 .5852 .0897 89 HIS 89 -.2420 1.3372 999.9900 999.9900 .6686 .5879 .6722 .3205 .4670 .5513 90 VAL 90 .3372 999.9900 -.0276 999.9900 .7810 .3636 .6616 .1177 .3443 .3740 91 ILE 91 .2768 -3.0500 999.9900 999.9900 .6034 -.7233 .6600 .0389 .2977 -.2942 92 ILE 92 .0718 -.9795 999.9900 999.9900 .6034 -.1015 .6600 .0455 .3016 .0802 93 GLN 93 -1.6601 -1.3011 999.9900 1.3059 .5113 -.2860 .6776 .5226 .5872 .0094 94 ALA 94 -.6837 999.9900 999.9900 999.9900 .7458 .0311 .4918 .3160 .3893 .2175 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5430 -.3647 .0135 .0828 96 VAL 96 -.4049 999.9900 .4980 999.9900 .7810 .2914 .6549 .1153 .3401 .3289 97 THR 97 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6634 -.2636 .1226 .0195 98 GLU 98 -.4325 -1.6501 999.9900 -1.0323 .6899 -.6063 .6751 .5275 .5890 -.2038 99 LYS 99 -3.0472 -1.6955 999.9900 -.4035 .7460 -.9607 .6810 .1583 .3761 -.5663 100 GLU 100 -.8947 -2.8418 999.9900 -1.0323 .6899 -1.0197 .6782 .5175 .5844 -.4805 101 LYS 101 999.9900 -1.3520 999.9900 -.0397 999.9900 -.4771 .6799 -.0283 .2753 -.1560 Means: -.6769 -1.4802 -.3261 -.0332 .6989 -.2732 .6487 .2056 .3909 -.0044 2.00 analyzed_13