1 ASP 1 999.9900 -.3515 999.9900 999.9900 .8104 .2295 .5518 .4009 .4695 .3529 2 PRO 2 .6201 999.9900 999.9900 999.9900 .8563 .7382 .6541 .3190 .4586 .6124 3 ASN 3 -.2390 -.3237 999.9900 999.9900 .3127 -.0833 .3326 -.3512 -.0663 -.0537 4 ALA 4 -1.4845 999.9900 999.9900 999.9900 .7881 -.3482 -.3038 .0574 -.0931 -.2357 5 GLU 5 .8733 .8793 999.9900 -1.0323 .2101 .2326 -.3981 .4761 .1118 .1681 6 PHE 6 -1.0508 -.0015 999.9900 999.9900 -.0962 -.3829 -.7799 .5811 .0140 -.2695 7 ASP 7 -.0991 -1.1646 999.9900 999.9900 .3772 -.2955 .2990 .0301 .1422 -.1115 8 PRO 8 -.5342 999.9900 999.9900 999.9900 .7618 .1138 .4751 .2017 .3156 .2261 9 ASP 9 -.4109 -.2599 999.9900 999.9900 .9215 .0836 .3345 .5494 .4598 .2269 10 LEU 10 -.4108 -1.6805 999.9900 999.9900 .7949 -.4321 .3640 .4253 .3997 -.1014 11 PRO 11 .3725 999.9900 999.9900 999.9900 -.1935 .0895 .4077 .5156 .4706 .2756 12 GLY 12 1.0529 999.9900 999.9900 999.9900 -.0291 .5119 .3136 .5584 .4496 .4740 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.6865 .0652 .2786 .5144 .4096 .2309 14 GLY 14 .5072 999.9900 999.9900 999.9900 .7185 .6128 .3361 .5908 .4776 .5382 15 LEU 15 -.9596 .8730 999.9900 999.9900 .4774 .1303 -.3867 .6249 .2034 .1258 16 HIS 16 -1.4902 .3722 999.9900 999.9900 -.6493 -.5891 -.4046 .4363 .0860 -.3471 17 ARG 17 -.9010 -.4122 999.9900 .1593 -1.3564 -.4702 -.7768 .6579 .0601 -.3528 18 CYS 18 -.0920 999.9900 .8629 999.9900 .2612 .3440 -.1264 .3681 .1621 .2547 19 LEU 19 .6509 .3099 999.9900 999.9900 .3942 .4516 .0745 .5006 .3230 .3860 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .4617 .1760 .6446 .6254 .6334 .4055 21 CYS 21 -1.1459 999.9900 .8629 999.9900 .4013 .0394 .1178 .2231 .1792 .0918 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.0105 -.8679 .3463 .5173 .4461 -.2180 23 ARG 23 -.3884 .8024 999.9900 1.0776 .4837 .6106 -.6163 .5348 .0552 .4245 24 TYR 24 .0406 .8492 999.9900 999.9900 .7784 .5561 -1.0685 .3187 -.2593 .1837 25 PHE 25 .1097 .0765 999.9900 999.9900 -.0962 .0300 -.1166 .5744 .2864 .1095 26 ILE 26 1.0115 -.4893 999.9900 999.9900 .4089 .3104 .1648 .2956 .2411 .2783 27 ASP 27 -1.0188 -1.7735 999.9900 999.9900 -.3226 -1.0383 -.1530 .1369 .0161 -.6262 28 SER 28 1.0911 999.9900 -.7153 999.9900 .7576 .3778 -.0920 .5469 .2807 .3177 29 THR 29 .8703 999.9900 .0483 999.9900 .6112 .5099 .3081 .2842 .2941 .4244 30 ASN 30 1.1272 .3924 999.9900 999.9900 .5940 .7046 .1380 .5909 .4022 .5685 31 LEU 31 .9913 -2.9612 999.9900 999.9900 .5293 -.4802 -.6129 .0103 -.2494 -.4086 32 LYS 32 1.0429 .8596 999.9900 .3546 -.2082 .4807 .5314 .5170 .5230 .4932 33 THR 33 .8748 999.9900 -.8810 999.9900 .2932 .0957 .4030 .5986 .5171 .2577 34 HIS 34 .9933 -.1773 999.9900 999.9900 .5967 .4709 .2108 -.1006 .0291 .3046 35 PHE 35 -.4833 -.7766 999.9900 999.9900 -.9498 -.7365 .5725 -.5626 -.0896 -.4399 36 ARG 36 -.2684 1.1781 999.9900 .7862 .4407 .5845 .6177 .3068 .4363 .5496 37 SER 37 -2.4175 999.9900 .3727 999.9900 .1597 -.6284 .0824 .5407 .3498 -.2524 38 LYS 38 .9480 -.2695 999.9900 .5131 .5062 .4422 .3048 .5876 .4697 .4433 39 ASP 39 1.1359 -.8657 999.9900 999.9900 .5431 .2711 .0695 .3976 .2609 .2561 40 HIS 40 .0007 -1.3248 999.9900 999.9900 -1.6368 -.9869 -3.7434 -.2632 -1.7133 -1.3935 41 LYS 41 .9480 .6560 999.9900 .3240 -1.4057 .1693 -.7693 -.8710 -.8286 -.1134 42 LYS 42 1.2214 -.1469 999.9900 .3546 .6576 .4883 .5760 .2968 .4131 .4735 43 ARG 43 .8469 -.7463 999.9900 1.1817 .4837 .5895 .0220 .5117 .3076 .4973 44 LEU 44 .6509 -1.0469 999.9900 999.9900 .0933 -.1009 .3892 .5609 .4894 .1295 45 LYS 45 1.2214 -2.9005 999.9900 .6133 .8827 .0860 -.1431 .0161 -.0502 .0433 46 GLN 46 -.0365 -.2368 999.9900 1.3059 -.0576 .2437 .5283 .3697 .4358 .3122 47 LEU 47 .2140 -.8335 999.9900 999.9900 .2381 -.1271 .0329 .6588 .3980 .0621 48 SER 48 -.8144 999.9900 .3727 999.9900 .3425 -.0331 .1449 .4705 .3348 .1032 49 VAL 49 -1.5970 999.9900 .3968 999.9900 .2505 -.3166 .5793 .6092 .5968 .0478 50 GLU 50 -2.8104 -.3559 999.9900 -1.0323 -.4821 -1.1702 .4425 .4607 .4531 -.6296 51 PRO 51 -4.1421 999.9900 999.9900 999.9900 .1827 -1.9797 .3082 .5406 .4438 -.7777 52 TYR 52 -3.6999 .8492 999.9900 999.9900 .4594 -.7971 .2005 .2294 .2174 -.3923 53 SER 53 -2.9368 999.9900 .6576 999.9900 .5740 -.5684 .5498 .5865 .5712 -.1138 54 GLN 54 -3.1236 .6816 999.9900 1.3059 .7055 -.1077 .3313 .2738 .2978 .0291 55 GLU 55 -1.8465 1.1195 999.9900 -1.0323 -.6780 -.6093 .5300 -.0734 .1780 -.3301 56 GLU 56 -3.2255 1.1195 999.9900 -1.0323 -2.5035 -1.4105 .6541 .4150 .5146 -.7621 57 ALA 57 -1.6986 999.9900 999.9900 999.9900 .2908 -.7039 -1.9564 .4110 -.5754 -.7383 58 GLU 58 -1.0962 -1.4588 999.9900 1.1588 -1.0906 -.6217 -.0360 .2244 .1159 -.3831 59 ARG 59 -1.1245 -.5225 999.9900 .6901 -.1565 -.0847 -.2066 .4392 .1701 -.0273 60 ALA 60 -1.6986 999.9900 999.9900 999.9900 .4617 -.6185 .6400 .5851 .6080 -.0030 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .4999 -1.4823 .2046 -.0241 .0712 -.6960 62 GLY 62 -2.4582 999.9900 999.9900 999.9900 .2782 -1.0900 -.3878 .5350 .1248 -.5082 63 MET 63 -1.4527 .5321 999.9900 .9587 -.3043 -.0665 .0998 .6751 .4354 .0848 64 GLY 64 -2.4582 999.9900 999.9900 999.9900 .0951 -1.1815 .6282 .5999 .6125 -.2837 65 SER 65 -3.7598 999.9900 -.7153 999.9900 .7576 -1.2392 .3265 .2670 .2918 -.6248 66 TYR 66 .4225 .8376 999.9900 999.9900 .7393 .6665 -1.9386 .6321 -.4390 .1386 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.1709 .0096 -.0677 -.4133 Means: -.5849 -.2120 .0167 .4539 .1565 -.1113 .0117 .3490 .2077 .0029 2.00 refined_3