1 GLY 1 999.9900 999.9900 999.9900 999.9900 .2296 .2296 -.0648 .5483 .2417 .2377
2 HIS 2 -2.5191 -.1263 999.9900 999.9900 -1.6368 -1.4274 .4476 .4246 .4342 -.6820
3 HIS 3 -3.0884 -.5551 999.9900 999.9900 -.6493 -1.4309 -.5164 -.6974 -.6220 -1.1013
4 HIS 4 -1.4902 -.1263 999.9900 999.9900 .2322 -.4614 .4520 .4971 .4783 -.0871
5 HIS 5 -.1228 -1.7284 999.9900 999.9900 -.6493 -.8335 .0974 .4135 .2818 -.3979
6 HIS 6 -1.9498 .2436 999.9900 999.9900 -.6493 -.7852 .1635 .5623 .3961 -.3260
7 HIS 7 -1.6168 -.1263 999.9900 999.9900 .4328 -.4368 .2983 .5372 .4376 -.0950
8 LEU 8 -1.2495 -2.7185 999.9900 999.9900 -.9806 -1.6496 .0974 .4141 .2821 -.8874
9 GLU 9 -3.2255 -.3402 999.9900 -1.0323 .4218 -1.0441 .4578 .4351 .4446 -.5472
10 CYS 10 -.1674 999.9900 .8629 999.9900 -.3261 .1231 .0499 .6879 .4221 .2214
11 SER 11 -2.4175 999.9900 -.0289 999.9900 .6235 -.6076 .6064 .3737 .4707 -.1685
12 SER 12 .0421 999.9900 .3727 999.9900 .6705 .3618 .3136 .4009 .3645 .3600
13 ASP 13 -1.8260 -1.3328 999.9900 999.9900 .8104 -.7828 .1241 .4306 .3029 -.3587
14 SER 14 -3.7598 999.9900 -.0289 999.9900 -.7427 -1.5105 .0776 -.0370 .0107 -.8982
15 LEU 15 -3.3085 -1.3608 999.9900 999.9900 -.7775 -1.8156 -1.8767 .4180 -.5381 -1.3811
16 GLN 16 -.5313 -.2368 999.9900 1.3059 -1.6155 -.2694 -.6401 .0001 -.2666 -.2863
17 LEU 17 -.3691 .8847 999.9900 999.9900 -2.5031 -.6625 -1.2015 .2380 -.3618 -.5902
18 HIS 18 -.5497 .0128 999.9900 999.9900 -.3908 -.3092 .0145 .6274 .3720 -.0572
19 ASN 19 -1.1452 -.1757 999.9900 999.9900 -.7214 -.6808 .3129 -.0439 .1048 -.3547
20 VAL 20 .0764 999.9900 -.0276 999.9900 .1768 .0752 .0865 .6136 .3940 .1852
21 PHE 21 -.2560 .8308 999.9900 999.9900 -.5721 .0009 .2134 .3662 .3025 .1165
22 VAL 22 -1.6661 999.9900 .1416 999.9900 -2.2406 -1.2550 .2590 .5146 .4081 -.5983
23 TYR 23 -2.5417 -1.6012 999.9900 999.9900 -.1498 -1.4309 .0358 .4439 .2738 -.7626
24 GLY 24 -2.2927 999.9900 999.9900 999.9900 -1.5458 -1.9192 .1021 .5800 .3676 -.7891
25 SER 25 .9506 999.9900 -.0289 999.9900 -.2435 .2261 .3792 .3183 .3437 .2751
26 PHE 26 -.4833 -.5590 999.9900 999.9900 .2172 -.2750 .6299 .3657 .4758 .0341
27 GLN 27 -.6340 .2375 999.9900 1.3059 .6605 .3925 .0908 .4853 .3210 .3577
28 ASP 28 -.9091 -.5059 999.9900 999.9900 .6026 -.2708 .5394 .3576 .4333 .0169
29 PRO 29 -.1156 999.9900 999.9900 999.9900 .6931 .2887 .4361 .5892 .5254 .4007
30 ASP 30 1.3227 -.8657 999.9900 999.9900 .6026 .3532 .5504 .5344 .5411 .4289
31 VAL 31 .3707 999.9900 -1.0788 999.9900 .6734 -.0116 .4346 .3272 .3720 .1454
32 ILE 32 1.0067 -.0177 999.9900 999.9900 .2717 .4202 .4259 .4948 .4661 .4363
33 ASN 33 .7786 .3323 999.9900 999.9900 .5588 .5566 .1828 .4106 .3157 .4526
34 VAL 34 -.4049 999.9900 .4980 999.9900 -1.3636 -.4235 .5657 .6231 .5992 -.0163
35 MET 35 .8434 -2.5481 999.9900 .9587 -1.9874 -.6834 .5113 .4849 .4959 -.2895
36 LEU 36 -3.7702 -3.3760 999.9900 999.9900 -.9806 -2.7089 .1547 -.4188 -.1799 -1.6782
37 ASP 37 -3.3417 -1.6521 999.9900 999.9900 .2216 -1.5907 .3024 .5815 .4652 -.7777
38 ARG 38 -1.3391 1.0644 999.9900 .1593 .1299 .0348 .1273 .4130 .2939 .1020
39 THR 39 -.3556 999.9900 .2916 999.9900 .3342 .0901 .2798 .6504 .4960 .2401
40 PRO 40 .1514 999.9900 999.9900 999.9900 .8563 .5038 .5276 .5937 .5661 .5322
41 GLU 41 -.7635 .7809 999.9900 -1.0323 -2.5035 -.8796 -.1291 .6043 .2987 -.5072
42 ILE 42 .0813 .2838 999.9900 999.9900 -.1449 .0734 -.8952 .6175 -.0128 -.0115
43 VAL 43 .0764 999.9900 -1.0788 999.9900 -.1376 -.3800 .1168 .6228 .4119 -.0801
44 SER 44 -.2806 999.9900 -.7153 999.9900 .5215 -.1581 -.0924 .5489 .2817 -.0036
45 ALA 45 -.7438 999.9900 999.9900 999.9900 .6550 -.0444 -1.0239 .6636 -.0396 -.1123
46 THR 46 .4909 999.9900 .0483 999.9900 .2056 .2483 -.6582 .6267 .0913 .1426
47 LEU 47 -.8349 -.0669 999.9900 999.9900 .6926 -.0697 .3776 .4133 .3984 .1163
48 PRO 48 -.7236 999.9900 999.9900 999.9900 .6188 -.0524 .2243 .5899 .4376 .1773
49 GLY 49 .6263 999.9900 999.9900 999.9900 .9364 .7814 .4000 .6859 .5588 .6622
50 PHE 50 .2240 .1357 999.9900 999.9900 .5949 .3182 -1.2799 .3891 -.3063 .0128
51 GLN 51 -.3431 .7444 999.9900 1.3059 .5636 .5677 -.4586 .5614 .1364 .3956
52 ARG 52 -.5383 .7238 999.9900 1.0005 -.4506 .3472 -1.9574 .5212 -.5115 .0428
53 PHE 53 -1.0508 -1.5726 999.9900 999.9900 -2.2412 -1.6215 -.1970 .1380 -.0016 -.9847
54 ARG 54 -.0990 -.0419 999.9900 1.0005 .2455 .4211 .5876 .4460 .5050 .4485
55 LEU 55 -3.7702 .3099 999.9900 999.9900 -1.0998 -1.5200 .3972 .1490 .2524 -.8028
56 LYS 56 -.8267 .7597 999.9900 1.2950 .8827 .6811 .3990 .5320 .4766 .6195
57 GLY 57 -3.4864 999.9900 999.9900 999.9900 -.0291 -1.7577 .1361 .6243 .4073 -.6888
58 ARG 58 -.8233 -2.3766 999.9900 .5548 .7064 -.2768 -.3067 .1855 -.0196 -.2150
59 LEU 59 -1.1512 -.0082 999.9900 999.9900 -3.2047 -1.4547 -.0578 .1744 .0776 -.8495
60 TYR 60 -1.1972 -.1547 999.9900 999.9900 -.1498 -.5006 .1306 -.2499 -.0914 -.3242
61 PRO 61 -.7236 999.9900 999.9900 999.9900 -.4005 -.5621 .3674 .5149 .4535 -.0604
62 CYS 62 -.9926 999.9900 .1296 999.9900 .5249 -.1127 .5507 .4421 .4874 .1310
63 ILE 63 .3408 -.0177 999.9900 999.9900 .2717 .1983 .3344 .5722 .4731 .3003
64 VAL 64 .0764 999.9900 -.0276 999.9900 .5258 .1916 .5988 .4362 .5039 .3219
65 PRO 65 -2.2783 999.9900 999.9900 999.9900 .2989 -.9897 .3862 .5414 .4767 -.2630
66 SER 66 -.7578 999.9900 -.7153 999.9900 -.3096 -.5943 .4841 .4663 .4737 -.1665
67 GLU 67 .8733 -.1887 999.9900 -1.0323 -.1261 -.1185 .1212 .4342 .3038 .0136
68 LYS 68 -.3811 1.1488 999.9900 .3240 .0060 .2844 .4013 .5392 .4818 .3375
69 GLY 69 -1.4300 999.9900 999.9900 999.9900 -.3452 -.8876 -.4286 .3849 .0233 -.4547
70 GLU 70 -.8707 -.9977 999.9900 .3501 -.1867 -.4263 -.7696 -.1552 -.4112 -.4383
71 VAL 71 .4077 999.9900 .8055 999.9900 -.1923 .3403 -1.2597 .6049 -.1720 .0732
72 HIS 72 -.7145 -1.1713 999.9900 999.9900 -.0263 -.6374 -.7667 .2759 -.1585 -.4806
73 GLY 73 -1.0419 999.9900 999.9900 999.9900 .0951 -.4734 -2.3027 .6357 -.6703 -.6535
74 LYS 74 -.3223 -1.4228 999.9900 .8634 -.4103 -.0858 -1.2540 .5013 -.2301 -.1688
75 VAL 75 .5332 999.9900 .4980 999.9900 -.8010 .0767 .4455 .5656 .5156 .2483
76 LEU 76 -.4065 .8730 999.9900 999.9900 .8331 .4332 -.0761 .2483 .1131 .2944
77 MET 77 -.3503 -.6258 999.9900 .9587 .6113 .1485 -.2064 .3784 .1347 .1276
78 GLY 78 -1.0150 999.9900 999.9900 999.9900 .7883 -.1133 .2265 .6737 .4749 .1684
79 VAL 79 -.7345 999.9900 -1.0788 999.9900 .6734 -.3800 -.1609 .5984 .2820 -.1405
80 THR 80 -.3368 999.9900 -.8810 999.9900 -1.6680 -.9619 .2848 .0802 .1654 -.5042
81 SER 81 .8651 999.9900 -.7153 999.9900 .8922 .3473 .5915 .3536 .4528 .3974
82 ASP 82 1.3227 -.3623 999.9900 999.9900 .5431 .5012 -.1987 .4173 .1606 .3444
83 GLU 83 .8171 -1.2470 999.9900 -1.0323 .3899 -.2681 .1506 .4880 .3474 -.0723
84 LEU 84 1.1349 -2.3037 999.9900 999.9900 -.0758 -.4149 .2011 .1838 .1910 -.1720
85 GLU 85 .6833 .6194 999.9900 1.1588 .1264 .6470 .4447 .6540 .5668 .6144
86 ASN 86 1.3908 -3.3254 999.9900 999.9900 -.3577 -.7641 .5098 .4016 .4467 -.2762
87 LEU 87 1.1349 .8730 999.9900 999.9900 .5293 .8457 .6143 .5865 .5981 .7476
88 ASP 88 1.3227 -.5059 999.9900 999.9900 -.1266 .2301 .2923 .6014 .4726 .3168
89 ALA 89 .3637 999.9900 999.9900 999.9900 .4012 .3825 .5916 .6557 .6290 .5030
90 VAL 90 .5646 999.9900 .7395 999.9900 -.1376 .3888 .2102 .5215 .3918 .3797
91 GLU 91 .0765 .5701 999.9900 .3501 -.6780 .0797 .6094 .6470 .6313 .2625
92 GLY 92 -.3460 999.9900 999.9900 999.9900 .7039 .1789 .4186 .3283 .3684 .2762
93 ASN 93 1.1678 1.0524 999.9900 999.9900 .4442 .8881 .5259 .6326 .5882 .7646
94 GLU 94 -3.2255 -.3402 999.9900 -1.0323 .7127 -.9713 .5652 .4820 .5167 -.4730
95 TYR 95 -.2656 .8463 999.9900 999.9900 .2769 .2859 .3333 .5769 .4754 .3536
96 GLU 96 -.3633 -.2267 999.9900 1.7325 .0339 .2941 .3859 .5794 .4988 .3570
97 ARG 97 -.8053 .8164 999.9900 .1593 -.3418 -.0024 -.1017 .6207 .3197 .0724
98 VAL 98 -.0582 999.9900 -.2457 999.9900 .8960 .1974 -.4485 .6163 .1726 .1520
99 THR 99 -.0475 999.9900 -.8810 999.9900 .0572 -.2904 .0490 .4748 .2974 -.0695
100 VAL 100 -.3548 999.9900 -.0276 999.9900 .3827 .0001 .1240 .6718 .4436 .1592
101 GLY 101 -1.5840 999.9900 999.9900 999.9900 .7185 -.4327 -.2286 .6137 .2394 -.1201
102 ILE 102 -.4396 -2.1272 999.9900 999.9900 .4509 -.7053 -.7853 .3828 -.1039 -.5037
103 VAL 103 .5332 999.9900 .5873 999.9900 .2144 .4450 .3300 .6059 .4910 .4542
104 ARG 104 -.5733 .3427 999.9900 .1593 -.5739 -.0972 .4215 .2505 .3218 .0266
105 GLU 105 -1.0962 .8793 999.9900 -1.0323 -.3984 -.4119 -.2168 .4492 .1717 -.2359
106 ASP 106 -2.5838 -2.0928 999.9900 999.9900 -.0689 -1.5818 .2573 .1581 .1994 -.8660
107 ASN 107 -3.4329 -.5828 999.9900 999.9900 -1.0852 -1.7003 -.1100 .4006 .1878 -.9621
108 SER 108 -3.7598 999.9900 -.0289 999.9900 -.1819 -1.3235 .1122 -.3651 -.1662 -.8447
109 GLU 109 -.3633 .8793 999.9900 .3501 1.0761 .4856 -.5165 .5422 .1011 .3280
110 LYS 110 -.2512 -2.9005 999.9900 1.0897 .6805 -.0583 -.4096 .4528 .0934 -.0355
111 MET 111 -.4857 .9878 999.9900 .9587 -.3043 .2891 -2.1523 .2519 -.7498 -.1240
112 ALA 112 -1.1448 999.9900 999.9900 999.9900 -.0775 -.6111 -.0713 .6223 .3333 -.1678
113 VAL 113 -1.1433 999.9900 -.5532 999.9900 -1.0415 -.9127 .2188 .6478 .4690 -.3743
114 LYS 114 -.4232 -2.1617 999.9900 .6906 -1.4057 -.5219 -1.3645 .2832 -.4033 -.5273
115 THR 115 -.8088 999.9900 -.8810 999.9900 .6695 -.3401 -1.6351 .2782 -.5190 -.4754
116 TYR 116 .0500 .4149 999.9900 999.9900 -1.0119 -.1823 -1.2145 .1831 -.3992 -.3157
117 MET 117 -.3657 .2906 999.9900 .9587 .9122 .4489 .0131 .5559 .3297 .3941
118 TRP 118 -.1038 -.0403 999.9900 999.9900 -1.6678 -.6039 -.9892 .1694 -.3133 -.5263
119 ILE 119 .6852 .4983 999.9900 999.9900 -.1449 .3462 .1700 .4481 .3322 .3313
120 ASN 120 -.5865 .3778 999.9900 999.9900 -1.3432 -.5173 .0917 .6225 .4013 -.1676
121 LYS 121 .6780 .0031 999.9900 .4405 .2547 .3634 .0362 .6757 .4092 .3612
122 ALA 122 -1.9174 999.9900 999.9900 999.9900 -.9190 -1.4182 .0962 .5389 .3545 -.5503
123 ASP 123 -1.6875 -1.1062 999.9900 999.9900 .4469 -.7823 .6832 .5523 .6068 -.2223
124 PRO 124 -1.4874 999.9900 999.9900 999.9900 -.4005 -.9440 .5551 .5513 .5529 -.1954
125 ASP 125 .3915 -.5192 999.9900 999.9900 .8104 .2276 .1002 .4279 .2913 .2422
126 MET 126 -.6588 -.2135 999.9900 .9587 -.8385 -.1880 .5786 .6522 .6216 .0798
127 PHE 127 -2.7602 .8308 999.9900 999.9900 .3416 -.5293 .2748 .4888 .3996 -.1648
128 GLY 128 -1.7786 999.9900 999.9900 999.9900 .6270 -.5758 -.1402 -.3141 -.2368 -.4015
129 GLU 129 -.3890 -.9977 999.9900 -1.0323 .2101 -.5522 -.3872 .3160 .0230 -.3800
130 TRP 130 -.3273 -2.6463 999.9900 999.9900 .2792 -.8981 -.0933 .5565 .2857 -.4462
131 ASN 131 .1451 -1.7113 999.9900 999.9900 .4840 -.3607 .2230 .0080 .0976 -.1703
132 PHE 132 .7405 .1608 999.9900 999.9900 .3416 .4143 .1575 .2095 .1878 .3220
133 GLU 133 .8733 1.2631 999.9900 -1.0323 .5112 .4038 .5714 .4619 .5075 .4414
134 GLU 134 1.0761 -.4584 999.9900 -1.0323 .4218 .0018 .6232 .6112 .6162 .2069
135 TRP 135 1.2612 -.5700 999.9900 999.9900 .9378 .5430 .0856 .5019 .3284 .4433
136 LYS 136 .7090 .7568 999.9900 1.4535 -.2082 .8329 .1997 .2410 .2238 .6579
137 ARG 137 1.0056 .6123 999.9900 .1593 .3956 .4664 .4378 .2469 .3264 .4310
138 LEU 138 -.3532 -1.5832 999.9900 999.9900 .7139 -.4075 .3978 .5455 .4839 -.0558
139 HIS 139 .4792 .9673 999.9900 999.9900 -.6493 .2657 .5346 .4485 .4844 .3560
140 LYS 140 1.2214 .4325 999.9900 -.4035 .5850 .2864 .5815 .6180 .6028 .3759
141 LYS 141 .7090 .8340 999.9900 -.4035 .2547 .1981 .5713 .6032 .5899 .3093
142 LYS 142 1.2214 .2165 999.9900 .4411 -.3378 .3965 .6658 .6518 .6576 .4714
143 PHE 143 -.0639 .5589 999.9900 999.9900 -.0075 .1625 .4922 .4649 .4763 .2889
144 ILE 144 .4667 -.0414 999.9900 999.9900 .6382 .3545 .0656 .4966 .3170 .3251
145 GLU 145 .1702 .6687 999.9900 .3501 1.0761 .5663 .4661 .4984 .4850 .5383
146 THR 146 .7717 999.9900 -.2947 999.9900 .1092 .1954 .4802 .3774 .4203 .2888
147 PHE 147 .0766 -.5729 999.9900 999.9900 .9272 .1436 -.3424 .3547 .0643 .0886
148 LYS 148 .7090 1.1634 999.9900 -.4035 -.0430 .2045 .5109 .5511 .5343 .2978
149 LYS 149 .6780 -.1141 999.9900 -.4035 -.5755 -.1637 .1737 -.2289 -.0612 -.1249
150 ILE 150 .0556 .6227 999.9900 999.9900 .1133 .2639 -.3604 -.0519 -.1804 .0759
151 MET 151 -.1671 -1.7864 999.9900 .9587 .6113 -.0959 .1583 .2233 .1962 -.0003
152 GLU 152 .8604 -.1645 999.9900 -1.0323 .2491 -.0218 .4317 .6624 .5663 .1678
153 CYS 153 .8160 999.9900 .1296 999.9900 .2612 .4023 .3779 .5480 .4771 .4265
154 LYS 154 .6751 .0031 999.9900 .5131 .1791 .3767 .4793 .6557 .5822 .4312
155 LYS 155 -3.5196 .8340 999.9900 1.1526 -2.6618 -.6084 .2867 .5818 .4588 -.3105
156 LYS 156 -1.0405 .8340 999.9900 .1140 .2547 .0552 .6310 .2852 .4293 .1703
157 PRO 157 -.0828 999.9900 999.9900 999.9900 .2426 .0799 .4702 .6207 .5580 .3127
158 GLN 158 -3.1236 .5127 999.9900 1.3059 -.2736 -.3947 .3682 .6750 .5471 -.0893
159 GLY 159 -.3903 999.9900 999.9900 999.9900 .0351 -.1776 -.2595 .6470 .2442 .0081
160 GLN 160 -.5179 .6816 999.9900 1.3059 .9038 .5933 .2117 .5445 .4058 .5216
161 GLY 161 -.4877 999.9900 999.9900 999.9900 .8016 .1569 -.3242 .6354 .2089 .1563
162 ASN 162 -.1778 -1.0148 999.9900 999.9900 .7518 -.1469 .4061 .6722 .5613 .1275
163 ASP 163 -.1512 -2.0928 999.9900 999.9900 -1.0225 -1.0888 -.0322 .4703 .2609 -.5657
164 ASP 164 -1.3478 -.3515 999.9900 999.9900 .2216 -.4926 -.0380 .2486 .1292 -.2534
165 ILE 165 -2.0621 -1.0451 999.9900 999.9900 .2717 -.9452 -.1116 .4898 .2393 -.4915
166 SER 166 -.7443 999.9900 .3727 999.9900 .3425 -.0097 .1852 .5336 .3884 .1379
167 HIS 167 .0561 -1.7284 999.9900 999.9900 .5967 -.3585 -.1180 .5698 .2832 -.1248
168 VAL 168 -.0582 999.9900 .1416 999.9900 .6503 .2446 -.1155 .6876 .3530 .2612
169 LEU 169 -.0536 -1.4036 999.9900 999.9900 .3942 -.3543 -1.2052 .4185 -.2580 -.3699
170 ARG 170 -.6927 -2.8571 999.9900 .5548 -.1565 -.5193 -.2454 .1170 -.0340 -.3893
171 GLU 171 -1.3743 .8793 999.9900 -1.0323 -.3984 -.4814 -.4709 .4036 .0392 -.3322
172 ASP 172 -.9954 -1.0518 999.9900 999.9900 .1786 -.6229 -.4219 .0825 -.1277 -.4416
173 GLN 173 999.9900 .6816 999.9900 1.3059 999.9900 .9937 .4258 .5044 .4707 .7294
Means: -.5393 -.3292 -.1121 .3673 -.0317 -.1978 .0363 .4290 .2647 -.0350 2.00 refined_1