1 GLY 1 999.9900 999.9900 999.9900 999.9900 -.5578 -.5578 .5156 .6408 .5782 .1996 2 HIS 2 -3.0884 .4588 999.9900 999.9900 .5185 -.7037 .1868 -.0124 .0706 -.3873 3 HIS 3 -.2420 -.1263 999.9900 999.9900 .4328 .0215 .5172 .4948 .5041 .2153 4 HIS 4 -.2950 .4588 999.9900 999.9900 -1.6368 -.4910 .4348 .6241 .5452 -.0828 5 HIS 5 -.0187 .2436 999.9900 999.9900 -1.0138 -.2629 -.1911 .2296 .0543 -.1501 6 HIS 6 -.9818 -1.0384 999.9900 999.9900 -.6493 -.8898 -.3716 -.0290 -.1717 -.6140 7 HIS 7 -.5497 .6809 999.9900 999.9900 -1.6368 -.5019 .0085 .6025 .3550 -.1789 8 LEU 8 -1.5047 .8730 999.9900 999.9900 -.8739 -.5019 -.2461 .3245 .0867 -.2854 9 GLU 9 -.3633 .8332 999.9900 -1.0323 .4526 -.0274 .0778 .5257 .3391 .0823 10 CYS 10 -.1941 999.9900 1.5962 999.9900 -.6280 .2580 .2433 .6207 .4635 .3276 11 SER 11 .1093 999.9900 -.7153 999.9900 .7781 .0573 .4173 .6084 .5287 .2395 12 SER 12 .9076 999.9900 .3727 999.9900 -.0703 .4033 .4552 .5822 .5293 .4495 13 ASP 13 -.2689 -1.5469 999.9900 999.9900 .5431 -.4242 -.3466 .3973 .0874 -.2444 14 SER 14 -.6561 999.9900 -.0289 999.9900 .1994 -.1618 -.1896 .4734 .1971 -.0404 15 LEU 15 -1.1256 -1.8410 999.9900 999.9900 .6486 -.7727 -.5339 .5993 .1272 -.4505 16 GLN 16 -.3535 -.2368 999.9900 1.3059 .5113 .3067 -.3509 .6439 .2294 .2533 17 LEU 17 -.3691 .8730 999.9900 999.9900 -2.5031 -.6664 -.2783 .5354 .1964 -.3484 18 HIS 18 -.3228 .0128 999.9900 999.9900 -.6493 -.3198 .3848 .5834 .5007 .0018 19 ASN 19 -.6931 -1.5725 999.9900 999.9900 -.1777 -.8144 .4730 .1832 .3040 -.3574 20 VAL 20 .0764 999.9900 .5873 999.9900 .6959 .4532 .0092 .5611 .3312 .3860 21 PHE 21 -.2560 .8308 999.9900 999.9900 .2815 .2854 .0691 .4787 .3080 .2808 22 VAL 22 -1.1939 999.9900 -.5532 999.9900 -2.9040 -1.5504 -.7613 .2971 -.1439 -1.0231 23 TYR 23 -2.2030 -2.0830 999.9900 999.9900 .6556 -1.2102 .2355 -.2529 -.0494 -.7296 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 -.5578 -2.0221 .5786 .4381 .5006 -.7568 25 SER 25 .9506 999.9900 -.0289 999.9900 -.2435 .2261 .3717 .4129 .3957 .2926 26 PHE 26 -1.2101 .6915 999.9900 999.9900 .7193 .0669 .5537 .6565 .6137 .2822 27 GLN 27 -.2658 -.1259 999.9900 1.3059 -.7286 .0464 -.0553 .2208 .1057 .0585 28 ASP 28 -.5526 -.8657 999.9900 999.9900 .6310 -.2624 .4261 -.1353 .0986 -.0993 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .6931 .2887 .5732 .6579 .6226 .4521 30 ASP 30 1.3227 -.8657 999.9900 999.9900 .6026 .3532 .6160 .5962 .6045 .4544 31 VAL 31 .3707 999.9900 -.5532 999.9900 .1768 -.0019 .4095 .3646 .3833 .1537 32 ILE 32 1.0067 -.3653 999.9900 999.9900 -.2211 .1401 .5732 .4789 .5182 .2945 33 ASN 33 .7786 .3323 999.9900 999.9900 .7518 .6209 .3954 .4171 .4081 .5351 34 VAL 34 -.1540 999.9900 .3968 999.9900 .3189 .1872 .5452 .6396 .6003 .3493 35 MET 35 1.1168 .5072 999.9900 .9587 -.1136 .6173 .6310 .6745 .6564 .6291 36 LEU 36 -3.7702 -3.3760 999.9900 999.9900 -3.2047 -3.4503 .1402 .0335 .0780 -2.0354 37 ASP 37 -3.3417 -.3623 999.9900 999.9900 -.3226 -1.3422 -.2853 -.4567 -.3852 -.9537 38 ARG 38 -2.5097 1.0644 999.9900 .1593 -.2445 -.2742 .1082 .4372 .3001 -.1180 39 THR 39 -.4672 999.9900 1.4642 999.9900 -.1184 .2929 .3914 .4663 .4351 .3473 40 PRO 40 .1514 999.9900 999.9900 999.9900 .2426 .1970 .6613 .4960 .5649 .3878 41 GLU 41 -1.2516 .6653 999.9900 -1.0323 -1.0906 -.6773 -.1302 .5924 .2913 -.3745 42 ILE 42 -.6670 .2838 999.9900 999.9900 -1.4322 -.6051 -.1130 .5551 .2767 -.2747 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .2853 -.2390 -.1812 .5180 .2267 -.0760 44 SER 44 -.5457 999.9900 .6576 999.9900 .1597 .0906 -.2667 .5783 .2262 .1167 45 ALA 45 -.5338 999.9900 999.9900 999.9900 .6227 .0445 -1.2491 .5487 -.2004 -.1529 46 THR 46 .4909 999.9900 .7650 999.9900 -.3332 .3076 -1.6603 .3742 -.4735 -.0727 47 LEU 47 -1.4828 .3419 999.9900 999.9900 .7753 -.1219 .2163 .4063 .3271 .0514 48 PRO 48 -1.3581 999.9900 999.9900 999.9900 .6188 -.3697 .1644 .6234 .4321 .0121 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .7883 .9098 -.1293 .6755 .3178 .5915 50 PHE 50 .2240 .5510 999.9900 999.9900 -.0075 .2558 -1.5484 .2355 -.5078 -.1091 51 GLN 51 -.5179 .1268 999.9900 1.3059 -.0576 .2143 -.7880 .4819 -.0472 .0918 52 ARG 52 -.4155 .8024 999.9900 .6901 .4837 .4501 -1.9793 .5209 -.5209 .1132 53 PHE 53 -1.0508 -.1548 999.9900 999.9900 -1.2178 -.8078 .0793 .2160 .1591 -.4256 54 ARG 54 -.8233 -2.8571 999.9900 .1593 -.2445 -.7213 .1438 -.4450 -.1997 -.5582 55 LEU 55 -.0411 -2.7185 999.9900 999.9900 .5293 -.7434 -.6592 .4561 -.0086 -.4867 56 LYS 56 -1.6300 1.1188 999.9900 .8043 -.4892 .1216 .4422 .5181 .4865 .2241 57 GLY 57 -2.4582 999.9900 999.9900 999.9900 -.5578 -1.5080 -.3880 .5396 .1273 -.7161 58 ARG 58 -.8233 -2.3766 999.9900 .1593 -.3418 -.6446 -.5177 .3984 .0167 -.4775 59 LEU 59 -.8682 .3099 999.9900 999.9900 -.9806 -.5130 -.0353 .3115 .1670 -.2525 60 TYR 60 -1.5571 .4149 999.9900 999.9900 .6556 -.1622 .2457 -.1757 -.0001 -.0833 61 PRO 61 -2.3165 999.9900 999.9900 999.9900 .8563 -.7301 .0326 .4614 .2827 -.2416 62 CYS 62 .1005 999.9900 .1296 999.9900 .5249 .2517 .4132 .5711 .5053 .3479 63 ILE 63 -.6670 -.0177 999.9900 999.9900 -1.2029 -.6292 .0346 .3595 .2241 -.2987 64 VAL 64 -.3288 999.9900 -1.0788 999.9900 .2853 -.3741 .3636 .0732 .1942 -.1371 65 PRO 65 -.0828 999.9900 999.9900 999.9900 .5793 .2483 .4335 .4543 .4457 .3461 66 SER 66 .2241 999.9900 .3727 999.9900 .2374 .2781 .2115 .5099 .3856 .3111 67 GLU 67 .8171 1.1195 999.9900 -1.0323 .5390 .3608 .5148 .5921 .5599 .4250 68 LYS 68 -1.6300 1.1776 999.9900 -.4035 .8827 -.0754 .4681 .6416 .5693 .1047 69 GLY 69 -.2551 999.9900 999.9900 999.9900 .8277 .2863 .5099 .6941 .6122 .4441 70 GLU 70 -.9729 -.2670 999.9900 .3501 .6424 -.0619 -.0024 .5523 .3212 .0504 71 VAL 71 .3116 999.9900 -.0276 999.9900 -.7002 -.1387 -1.1911 .5751 -.1608 -.2064 72 HIS 72 -.7615 .2086 999.9900 999.9900 .3381 -.0716 -1.2598 .4118 -.2847 -.2125 73 GLY 73 -1.2645 999.9900 999.9900 999.9900 -1.0172 -1.1408 -2.6807 .6241 -.8447 -1.0846 74 LYS 74 -.2799 .0031 999.9900 .1140 -.4892 -.1076 -.1048 .3559 .1639 -.0410 75 VAL 75 .5332 999.9900 .5873 999.9900 .8960 .6722 .4322 .6614 .5659 .6220 76 LEU 76 -.7094 .8730 999.9900 999.9900 .1315 .0984 .0537 .4977 .3127 .1693 77 MET 77 -.3063 -1.4323 999.9900 .9587 .7725 -.0018 -2.1165 .4392 -.6256 -.2808 78 GLY 78 -1.0150 999.9900 999.9900 999.9900 -.0291 -.5220 .1810 .6514 .4423 -.0529 79 VAL 79 -.1473 999.9900 -1.0788 999.9900 -.3121 -.5127 .0377 .2543 .1641 -.2492 80 THR 80 -.4564 999.9900 -.8810 999.9900 -.7236 -.6870 .2589 .3669 .3219 -.2871 81 SER 81 .9506 999.9900 -.7153 999.9900 .3425 .1926 .5667 .5435 .5532 .3376 82 ASP 82 1.0815 -1.7105 999.9900 999.9900 -.6624 -.4305 .6494 .6454 .6471 .0007 83 GLU 83 .6833 -.2011 999.9900 -1.0323 -1.2865 -.4592 .4581 .5064 .4863 -.1454 84 LEU 84 .9913 .5563 999.9900 999.9900 .2381 .5952 .5287 .4288 .4704 .5486 85 GLU 85 .8733 1.2631 999.9900 -1.0323 -1.2865 -.0456 .1964 .4541 .3467 .0780 86 ASN 86 1.1272 -1.0869 999.9900 999.9900 .5940 .2114 .0617 .5568 .3505 .2506 87 LEU 87 1.1349 .8730 999.9900 999.9900 .7139 .9073 .2497 .4875 .3884 .6918 88 ASP 88 1.1285 -.5059 999.9900 999.9900 -.3226 .1000 .0621 .5387 .3401 .1801 89 ALA 89 .3637 999.9900 999.9900 999.9900 .2428 .3032 .5249 .4870 .5028 .4046 90 VAL 90 .3041 999.9900 -.0276 999.9900 .2144 .1636 -.1487 -.2684 -.2185 .0148 91 GLU 91 -.1289 .6194 999.9900 .3501 -.5746 .0665 .3307 .5863 .4798 .1972 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .0951 -.1255 .4741 .0399 .2329 .0658 93 ASN 93 1.1117 -.0024 999.9900 999.9900 .9106 .6733 .6436 .5449 .5860 .6417 94 GLU 94 -3.2255 1.1195 999.9900 -1.0323 .4526 -.6714 .4828 .6710 .5926 -.2553 95 TYR 95 -.2656 .4149 999.9900 999.9900 .4594 .2029 .4788 .5028 .4928 .3181 96 GLU 96 -.4269 .8332 999.9900 -1.0323 -1.0906 -.4292 .0422 .5118 .3161 -.1938 97 ARG 97 -.8053 .7238 999.9900 .5548 .7064 .3469 -.0971 .3665 .1734 .2863 98 VAL 98 -.3637 999.9900 -.2457 999.9900 .4989 -.0368 .0206 .6161 .3679 .1052 99 THR 99 -.0475 999.9900 -.8810 999.9900 .7246 -.0680 .1183 .5993 .3989 .1027 100 VAL 100 -.0523 999.9900 -.2457 999.9900 -.2503 -.1828 .2203 .6796 .4882 .0703 101 GLY 101 -1.5840 999.9900 999.9900 999.9900 .6270 -.4785 -.0895 .6071 .2975 -.1099 102 ILE 102 -.6347 -2.2551 999.9900 999.9900 .5300 -.7866 -.8186 .4783 -.0621 -.5400 103 VAL 103 .3894 999.9900 .6672 999.9900 .7394 .5987 -.6430 .5728 .0662 .3452 104 ARG 104 -.9010 .8761 999.9900 .1593 -.0761 .0435 .0404 .6057 .3701 .1234 105 GLU 105 .3258 1.1195 999.9900 -1.0323 .4526 .2164 .2723 .2269 .2458 .2275 106 ASP 106 1.1359 -.8657 999.9900 999.9900 .2216 .1639 .5416 -.0557 .1932 .1955 107 ASN 107 -1.5023 .3924 999.9900 999.9900 -.0996 -.4031 .3593 .5418 .4658 -.0617 108 SER 108 -2.4175 999.9900 -.7153 999.9900 .7151 -.8059 -.3955 .1783 -.0608 -.5270 109 GLU 109 -.6811 .6194 999.9900 1.7325 -.6780 .2482 .2143 .6218 .4520 .3048 110 LYS 110 -.4232 -1.9682 999.9900 1.1353 .7460 .1250 -1.1146 .2753 -.3038 -.0306 111 MET 111 -.4857 .9878 999.9900 .9587 .0476 .3771 -1.3807 .2703 -.4176 .0663 112 ALA 112 -.7843 999.9900 999.9900 999.9900 -.0105 -.3974 .2057 .5795 .4238 -.0024 113 VAL 113 -1.4748 999.9900 .6672 999.9900 -.3121 -.3732 .2640 .6634 .4970 -.0385 114 LYS 114 -.3286 -2.1617 999.9900 .3546 -.2082 -.3978 .0087 .3973 .2354 -.2262 115 THR 115 -1.0935 999.9900 -.8810 999.9900 .1586 -.6053 .0872 .4650 .3076 -.2527 116 TYR 116 -.2794 .4149 999.9900 999.9900 .6556 .2637 .0563 .6166 .3831 .2928 117 MET 117 -.9371 -.2135 999.9900 .9587 .7725 .1451 .3095 .2981 .3029 .1980 118 TRP 118 -.1038 -.0403 999.9900 999.9900 -1.6678 -.6039 .1928 .3582 .2893 -.2522 119 ILE 119 .6852 -.0414 999.9900 999.9900 .3195 .3211 .0938 .6605 .4244 .3435 120 ASN 120 .1294 .1037 999.9900 999.9900 -1.0852 -.2840 .5969 .6510 .6285 .0792 121 LYS 121 -2.2985 -2.9005 999.9900 .2495 -.1497 -.9699 .2953 -1.1041 -.5210 -.8083 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .5367 -1.4640 .6716 .6800 .6765 -.3941 123 ASP 123 -.5899 -1.3328 999.9900 999.9900 -.7687 -.8971 .5245 .4098 .4576 -.3514 124 PRO 124 -1.3449 999.9900 999.9900 999.9900 .7618 -.2915 .6163 .5379 .5706 .1428 125 ASP 125 1.0815 -2.4630 999.9900 999.9900 .5733 -.2694 .4168 .5412 .4894 .0299 126 MET 126 -.2785 -.2135 999.9900 .9587 -.5376 -.0177 .6558 .6880 .6746 .2121 127 PHE 127 -2.3628 .8308 999.9900 999.9900 1.0159 -.1720 .0375 .6014 .3665 .0246 128 GLY 128 -2.9723 999.9900 999.9900 999.9900 .7039 -1.1342 -1.1295 .6215 -.1567 -.6941 129 GLU 129 -.3484 -.4402 999.9900 .3501 .1264 -.0780 .1684 .6145 .4286 .0785 130 TRP 130 -1.1250 -2.2136 999.9900 999.9900 -.4740 -1.2709 .3534 .4762 .4250 -.5966 131 ASN 131 .7786 -.3237 999.9900 999.9900 .5222 .3257 .6408 .4636 .5374 .4163 132 PHE 132 1.2230 .9147 999.9900 999.9900 .4513 .8630 .6370 .6752 .6593 .7802 133 GLU 133 .6833 .3748 999.9900 -1.0323 .3899 .1039 .6080 .6335 .6229 .2762 134 GLU 134 .1185 .7809 999.9900 -1.0323 .6424 .1274 .6316 .6572 .6465 .2997 135 TRP 135 1.2612 .2071 999.9900 999.9900 .0811 .5164 .4479 .2032 .3051 .4401 136 LYS 136 1.0429 -.2695 999.9900 .2495 .2547 .3054 .5707 .6333 .6072 .3902 137 ARG 137 .3778 .6123 999.9900 .1593 .5640 .3745 .3406 .5295 .4508 .3918 138 LEU 138 .2140 -1.6462 999.9900 999.9900 .5787 -.2845 .2402 .5675 .4311 -.0092 139 HIS 139 .2028 .2436 999.9900 999.9900 .3381 .2615 .5981 .6346 .6194 .4034 140 LYS 140 .8536 .8340 999.9900 -.0397 -.1497 .2917 .4546 .5024 .4825 .3451 141 LYS 141 .7090 .8596 999.9900 1.1993 .6576 .9250 .6835 .3788 .5058 .8124 142 LYS 142 1.2214 -.2178 999.9900 .4778 -.0430 .3833 .4176 .6757 .5681 .4299 143 PHE 143 .0766 .8396 999.9900 999.9900 .7193 .5451 .5163 .4519 .4788 .5207 144 ILE 144 .0556 -.0177 999.9900 999.9900 .3195 .1191 .2946 .3481 .3258 .2000 145 GLU 145 .0908 .8793 999.9900 -1.0323 1.0761 .2535 .5180 .4008 .4497 .3221 146 THR 146 .9379 999.9900 -.2947 999.9900 .5490 .3974 .2674 .3051 .2894 .3530 147 PHE 147 .6090 .2658 999.9900 999.9900 -.3041 .1902 .1058 .2766 .2054 .1906 148 LYS 148 1.0429 .8340 999.9900 .1731 .6340 .5714 .3608 .5666 .4808 .5406 149 LYS 149 .6780 1.1488 999.9900 .5131 .2547 .6216 .5789 .6375 .6131 .6177 150 ILE 150 .6852 .8778 999.9900 999.9900 .9338 .8323 .4008 .5777 .5040 .6951 151 MET 151 .6473 -.2135 999.9900 .9587 .0476 .3600 .4765 .3998 .4318 .3861 152 GLU 152 .8733 .6687 999.9900 .3501 .3899 .5705 .4961 .6730 .5993 .5752 153 CYS 153 .8160 999.9900 .1296 999.9900 .5249 .4902 .5081 .6404 .5853 .5238 154 LYS 154 -.2512 1.1488 999.9900 1.2407 .8827 .8524 .1374 .5015 .3498 .7001 155 LYS 155 -1.8261 -.6131 999.9900 1.4207 .6576 .2120 -1.5920 .2425 -.5219 -.0414 156 LYS 156 -.2075 .1550 999.9900 1.3578 -1.0384 .3250 .4280 .5735 .5129 .3752 157 PRO 157 -.0828 999.9900 999.9900 999.9900 .1187 .0180 -.4265 .3817 .0450 -.0022 158 GLN 158 -1.9302 -.2368 999.9900 1.3059 .2680 -.1483 .2385 .6710 .4908 .0527 159 GLY 159 -.2647 999.9900 999.9900 999.9900 .2296 -.0175 -1.1982 .6094 -.1940 -.1560 160 GLN 160 -.3746 .6816 999.9900 2.7911 -.4029 .6738 .2656 .5317 .4208 .5821 161 GLY 161 -2.9723 999.9900 999.9900 999.9900 -.3938 -1.6830 .3281 .5662 .4604 -.6179 162 ASN 162 -.7402 -.4258 999.9900 999.9900 .5940 -.1906 .4013 .5833 .5074 .0825 163 ASP 163 -.2530 -.3515 999.9900 999.9900 -.1266 -.2437 .2752 .6532 .4957 .0395 164 ASP 164 -.6293 -1.4542 999.9900 999.9900 .2628 -.6069 -.5085 .5929 .1340 -.3473 165 ILE 165 -2.7096 -1.0451 999.9900 999.9900 .7362 -1.0062 -.9540 .1774 -.2940 -.7590 166 SER 166 -1.1635 999.9900 -.7153 999.9900 .6235 -.4184 -.0642 .5959 .3209 -.1447 167 HIS 167 -1.1190 -1.1713 999.9900 999.9900 -.6493 -.9799 .2062 -.0358 .0650 -.5539 168 VAL 168 -4.3409 999.9900 -.5532 999.9900 .5521 -1.4473 -4.0058 -.1153 -1.7364 -1.6926 169 LEU 169 -.0536 .5315 999.9900 999.9900 .6258 .3679 -.3940 .5253 .1422 .2470 170 ARG 170 -.9440 .1897 999.9900 .5548 .6379 .1986 .1148 .5440 .3652 .2360 171 GLU 171 -1.3743 1.2631 999.9900 -1.0323 -.1867 -.3326 .1215 .5071 .3464 -.1169 172 ASP 172 -.5058 -1.2611 999.9900 999.9900 -.0689 -.6119 -.7271 .0830 -.2546 -.4960 173 GLN 173 999.9900 .1268 999.9900 1.3059 999.9900 .7163 -.2327 .2429 .0391 .3607 Means: -.4345 -.1030 -.0880 .3827 .0530 -.0906 .0400 .4409 .2732 .0342 2.00 refined_6