1 GLU 1 999.9900 -.4402 999.9900 .3501 .6424 .1841 .3819 .6295 .5170 .3128
2 ALA 2 -.6837 999.9900 999.9900 999.9900 .7881 .0522 .1435 .6449 .4360 .2232
3 GLU 3 -.2789 -1.0866 999.9900 -1.0323 -.7952 -.7982 .0665 .1495 .1149 -.4962
4 VAL 4 -4.3409 999.9900 -1.0788 999.9900 -1.3636 -2.2611 -.6398 -1.4327 -1.1023 -1.7712
5 HIS 5 -2.5191 -1.0384 999.9900 999.9900 -1.6368 -1.7314 -.4707 -.2812 -.3601 -1.1892
6 ASN 6 -.9637 1.2520 999.9900 999.9900 -1.3432 -.3516 -1.1685 -.0049 -.4898 -.4457
7 GLN 7 -3.1236 -.5355 999.9900 1.3059 1.1269 -.3066 -.8566 .0423 -.3322 -.3401
8 LEU 8 -.0411 -1.4996 999.9900 999.9900 -2.5031 -1.3479 -1.6689 -.2023 -.8134 -1.1830
9 GLU 9 -.4497 1.1195 999.9900 -1.0323 .6899 .0818 -.8509 .6767 .0402 .0255
10 ILE 10 .1962 .6227 999.9900 999.9900 -2.8566 -.6792 -.6885 .5087 .0099 -.4435
11 LYS 11 -.3038 -.0337 999.9900 1.1526 -2.0338 -.0132 -.6872 -.2943 -.4580 -.1497
12 PHE 12 -.2457 .4802 999.9900 999.9900 -.9498 -.2384 .3552 .6000 .4980 .0480
13 ARG 13 -.5160 .8949 999.9900 .1593 .9385 .3272 -1.5493 .1963 -.5310 .0404
14 LEU 14 -.4282 -1.6805 999.9900 999.9900 .4774 -.5437 -.0562 .5927 .3223 -.2190
15 THR 15 -.4045 999.9900 -.8810 999.9900 .9813 -.1014 .2750 .3165 .2992 .0575
16 ASP 16 .0771 -3.1847 999.9900 999.9900 -.1878 -1.0985 .6263 .6275 .6270 -.4083
17 GLY 17 .8709 999.9900 999.9900 999.9900 .0036 .4373 .2146 .5507 .4013 .4099
18 SER 18 -.4771 999.9900 -.0289 999.9900 .3749 -.0437 .6545 .3047 .4504 .1656
19 ASP 19 -.7969 -1.5978 999.9900 999.9900 .2628 -.7106 -.0514 .5030 .2720 -.3361
20 ILE 20 -.4035 .6227 999.9900 999.9900 .4912 .2368 .5383 .1975 .3395 .2892
21 GLY 21 -.5849 999.9900 999.9900 999.9900 .0351 -.2749 .5053 .5137 .5100 .1173
22 PRO 22 .3744 999.9900 999.9900 999.9900 .1827 .2786 -.1761 .1696 .0256 .1377
23 LYS 23 -.3414 .7020 999.9900 .9398 .5062 .5493 .1485 .0092 .0672 .4149
24 ALA 24 -.8279 999.9900 999.9900 999.9900 .5367 -.1456 .4129 .6076 .5265 .1823
25 PHE 25 -.4973 .5589 999.9900 999.9900 -1.2178 -.3854 -.1144 .2667 .1079 -.2008
26 PRO 26 .5449 999.9900 999.9900 999.9900 .1827 .3638 -.0702 .3469 .1731 .2511
27 ASP 27 .6418 -.7868 999.9900 999.9900 .5733 .1428 .5896 .6268 .6113 .3289
28 ALA 28 -.6970 999.9900 999.9900 999.9900 .0520 -.3225 .6364 .6313 .6334 .1557
29 THR 29 .0286 999.9900 .2916 999.9900 .4476 .2559 .1753 .5864 .4151 .3059
30 THR 30 -.4672 999.9900 .4804 999.9900 .2056 .0729 .3535 .5560 .4716 .2257
31 VAL 31 -.2252 999.9900 .8055 999.9900 -.3781 .0674 .5189 .3665 .4300 .2175
32 SER 32 .7360 999.9900 -.0289 999.9900 .8558 .5210 .5835 .6666 .6320 .5626
33 ALA 33 .5364 999.9900 999.9900 999.9900 .2671 .4018 .6632 .6975 .6832 .5411
34 LEU 34 .9913 .3419 999.9900 999.9900 .7753 .7028 .2575 -.0042 .1048 .4724
35 LYS 35 1.2214 .5334 999.9900 -.0770 -.3378 .2526 .3609 -.1471 .0646 .2110
36 GLU 36 .8604 .6687 999.9900 -1.0323 .7127 .3024 .4953 .4804 .4866 .3642
37 THR 37 .8449 999.9900 .0483 999.9900 .6695 .5209 .5534 .5912 .5754 .5415
38 VAL 38 1.0462 999.9900 .8055 999.9900 -.2503 .5338 .4839 .6560 .5843 .5482
39 ILE 39 .4667 -.2247 999.9900 999.9900 .8537 .3652 .3563 .6382 .5207 .4180
40 SER 40 .8651 999.9900 -.7153 999.9900 .8922 .3473 .2353 .5795 .4361 .3713
41 GLU 41 .1025 .6194 999.9900 -1.0323 -.6780 -.2471 .1093 .5045 .3398 -.0624
42 TRP 42 .0151 -1.9067 999.9900 999.9900 .7198 -.3906 .5181 -.0532 .1848 -.1414
43 PRO 43 -.9386 999.9900 999.9900 999.9900 .2426 -.3480 .5429 .5850 .5674 .1080
44 ARG 44 .2784 -.1588 999.9900 .1593 -.0761 .0724 .6541 .4215 .5184 .2054
45 GLU 45 .0468 -.5578 999.9900 -1.0323 .0339 -.3774 .5331 .5657 .5521 -.0684
46 LYS 46 -.7407 .8340 999.9900 .3546 -2.6618 -.3718 .0780 .5610 .3598 -.1743
47 GLU 47 -.4857 .6687 999.9900 .3501 .0814 .1536 -1.2882 .2224 -.4070 -.0752
48 ASN 48 -2.3558 -1.0148 999.9900 999.9900 -1.7070 -1.6925 -.4839 -.2211 -.3306 -1.1565
49 GLY 49 -.6468 999.9900 999.9900 999.9900 -.3452 -.4960 -2.3640 -1.0492 -1.6335 -1.1013
50 PRO 50 -3.1574 999.9900 999.9900 999.9900 -1.0436 -2.1005 .5893 .2678 .4018 -.8360
51 LYS 51 -3.5196 -.4196 999.9900 .6506 -2.6618 -1.0600 .0854 -.3661 -.1780 -.7972
52 THR 52 -.4146 999.9900 .7650 999.9900 -1.6680 -.4392 -.3420 .3003 .0327 -.2719
53 VAL 53 .7683 999.9900 -.5532 999.9900 -1.5772 -.4540 .0985 .3179 .2265 -.1891
54 LYS 54 .0635 -.0529 999.9900 -.0397 -2.0338 -.4205 .5645 .5826 .5751 -.1365
55 GLU 55 .0765 1.1195 999.9900 .3501 -1.2865 .0649 .2550 .5881 .4493 .1838
56 VAL 56 -.1817 999.9900 -1.0788 999.9900 .6025 -.2193 .5041 .5607 .5371 .0813
57 LYS 57 -.1867 -1.9682 999.9900 .8043 .1791 -.0734 .4831 .5383 .5153 .0935
58 LEU 58 -.0792 -2.1315 999.9900 999.9900 -.1723 -.7943 .2804 .4493 .3790 -.3307
59 ILE 59 .2866 .6227 999.9900 999.9900 .3195 .4096 .4327 .5946 .5271 .4512
60 SER 60 -.4057 999.9900 -.7153 999.9900 .8922 -.0763 .3597 .5537 .4728 .1369
61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .6550 -.7771 .3052 .4081 .3652 -.2102
62 GLY 62 .8124 999.9900 999.9900 999.9900 .4101 .6113 .1437 .6570 .4289 .5058
63 LYS 63 -.1919 .8340 999.9900 -.4035 -.2082 -.0746 .2548 .5255 .4127 .0582
64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .6734 -.2846 -.1733 .4979 .2182 -.1059
65 LEU 65 -1.0430 -1.4996 999.9900 999.9900 -.8739 -1.1388 -.0692 .5799 .3094 -.5812
66 GLU 66 -.2789 -.2267 999.9900 -1.0323 -.6780 -.5540 .5711 .5916 .5830 -.1755
67 ASN 67 .6639 -1.2512 999.9900 999.9900 .1006 -.1622 .4276 .5770 .5147 .1036
68 SER 68 .1178 999.9900 .3727 999.9900 .9098 .4668 .0250 .3291 .2024 .3509
69 LYS 69 -.8010 1.1488 999.9900 -.4035 .7872 .0656 -.2738 .2655 .0408 .0457
70 THR 70 -.6608 999.9900 .4804 999.9900 .1092 -.0237 -.2681 .5877 .2311 .0497
71 VAL 71 .5660 999.9900 .5873 999.9900 .8960 .6831 .3837 .5284 .4681 .5923
72 LYS 72 .7090 .8340 999.9900 -.4035 .8457 .3163 .5823 .3801 .4643 .3634
73 ASP 73 .8349 -1.4542 999.9900 999.9900 -.1878 -.2690 .5953 .4541 .5129 .0485
74 TYR 74 -.5197 .4149 999.9900 999.9900 -.5629 -.2226 .0281 .5118 .3102 -.0256
75 ARG 75 -1.4318 -1.0788 999.9900 .1593 -.2445 -.4873 -.4086 .0177 -.1599 -.4039
76 SER 76 -.1368 999.9900 -.0289 999.9900 .7576 .1973 .0398 -.3591 -.1929 .0545
77 PRO 77 -3.2630 999.9900 999.9900 999.9900 .1827 -1.5401 .4320 .6659 .5685 -.4956
78 VAL 78 -1.9912 999.9900 .2799 999.9900 .6025 -.3696 .1724 .4689 .3453 -.0935
79 SER 79 -2.4175 999.9900 -.7153 999.9900 .9098 -.7410 -.5892 .1400 -.1638 -.5344
80 ASN 80 -.5106 -1.5725 999.9900 999.9900 -.0278 -.7036 .1207 .0761 .0947 -.3828
81 LEU 81 -2.5767 .8730 999.9900 999.9900 .6258 -.3593 -1.1098 .2099 -.3399 -.3955
82 ALA 82 -2.8370 999.9900 999.9900 999.9900 .4999 -1.1685 .2464 .6632 .4895 -.3569
83 GLY 83 -.6968 999.9900 999.9900 999.9900 .8897 .0965 .1993 .6924 .4732 .2712
84 ALA 84 -1.4499 999.9900 999.9900 999.9900 -.1129 -.7814 .1141 .6959 .4535 -.1882
85 VAL 85 -.6656 999.9900 -1.0788 999.9900 -.0858 -.6100 -.5625 .4005 -.0007 -.3984
86 THR 86 .5084 999.9900 .0483 999.9900 .1092 .2220 -1.0918 .5173 -.1532 .0183
87 THR 87 .2184 999.9900 .0483 999.9900 -1.1761 -.3032 -.3023 .4955 .1631 -.1433
88 MET 88 -.2651 .2906 999.9900 .9587 .8447 .4572 .6540 .5716 .6059 .5091
89 HIS 89 -.2420 -.1773 999.9900 999.9900 -.6493 -.3562 -.3395 .1715 -.0414 -.2473
90 VAL 90 .4077 999.9900 .7395 999.9900 .7394 .6289 -2.2816 .3750 -.7319 -.0040
91 ILE 91 .0813 -.0236 999.9900 999.9900 -1.2029 -.3817 -1.1106 .1483 -.3762 -.4215
92 ILE 92 -.9289 -.0414 999.9900 999.9900 .1133 -.2857 -.4731 .5700 .1354 -.1520
93 GLN 93 -1.0647 1.1250 999.9900 1.3059 -.5521 .2035 -.5444 .4742 .0498 .1240
94 ALA 94 -.7791 999.9900 999.9900 999.9900 .0817 -.3487 .4733 .6223 .5602 .0995
95 PRO 95 .4197 999.9900 999.9900 999.9900 .8563 .6380 .6475 .6159 .6291 .6349
96 VAL 96 -1.4203 999.9900 .8662 999.9900 -.1376 -.2306 .5236 .5633 .5467 .0790
97 THR 97 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 -.0968 .0896 .0119 -.6572
98 GLU 98 -1.6894 -.2267 999.9900 -1.0323 -.5746 -.8807 .0136 .2660 .1608 -.5406
99 LYS 99 -3.5196 .3079 999.9900 -.0770 -.4892 -.7710 .0214 .4321 .2610 -.4859
100 GLU 100 -3.2255 -.4224 999.9900 .3501 -2.5035 -1.4503 -.7339 -.6815 -.7033 -1.2028
101 LYS 101 999.9900 -2.9005 999.9900 -.0397 999.9900 -.9933 -1.3253 -3.6132 -2.6327 -1.5837
Means: -.5750 -.2492 -.0327 .0822 -.1139 -.2439 -.0085 .3267 .1865 -.0942 2.00 refined_1