1 GLY 1 999.9900 999.9900 999.9900 999.9900 -2.9933 -2.9933 -.1778 .4495 .1359 -.9072 2 SER 2 -1.8983 999.9900 -.7153 999.9900 -1.3611 -1.3249 .3843 .3284 .3517 -.6524 3 ASP 3 -.0277 -.7868 999.9900 999.9900 .5121 -.1008 .5781 .6413 .6150 .1834 4 PRO 4 -.1156 999.9900 999.9900 999.9900 .6931 .2887 .3925 .6359 .5345 .4015 5 GLY 5 -1.3427 999.9900 999.9900 999.9900 -.2990 -.8208 .4854 .4570 .4696 -.1748 6 PRO 6 .0709 999.9900 999.9900 999.9900 .4021 .2365 .6245 .5851 .6015 .4206 7 GLU 7 .8733 -1.7714 999.9900 -1.0323 1.0761 -.2136 .5097 .5703 .5450 .0376 8 ALA 8 .9879 999.9900 999.9900 999.9900 .8152 .9016 .6655 .7012 .6863 .7924 9 ALA 9 .9879 999.9900 999.9900 999.9900 .0817 .5348 .6512 .6799 .6680 .6002 10 ARG 10 .8469 .5439 999.9900 .5548 .5640 .6129 .6644 .6667 .6657 .6279 11 LEU 11 .9913 .5315 999.9900 999.9900 .2381 .5870 -.1459 .4163 .1821 .4063 12 ARG 12 .9011 1.0644 999.9900 .6901 -.0022 .6687 .2972 .2312 .2587 .5531 13 PHE 13 1.1962 .3192 999.9900 999.9900 .7573 .7576 .4167 -.3197 -.0128 .4740 14 ARG 14 -.0126 .1080 999.9900 1.7915 .7064 .8770 .3486 .5767 .4817 .7586 15 CYS 15 .1379 999.9900 .1296 999.9900 .0994 .1223 .6295 .6552 .6445 .3303 16 PHE 16 -1.0508 -.0015 999.9900 999.9900 1.0159 -.0121 -.3659 .5982 .1965 .0392 17 HIS 17 -.3517 -.0777 999.9900 999.9900 -.0263 -.1519 -.5549 .3274 -.0403 -.1367 18 TYR 18 -.5013 .2264 999.9900 999.9900 .6984 .1412 -1.3582 .0073 -.5617 -.1855 19 GLU 19 -.7635 -.7281 999.9900 .3501 -.6780 -.4549 -1.3546 .2817 -.4001 -.4821 20 GLU 20 .3258 1.1195 999.9900 -1.0323 .5923 .2513 .4603 .5666 .5223 .3387 21 ALA 21 .8001 999.9900 999.9900 999.9900 .8018 .8009 .6923 .5327 .5992 .7067 22 THR 22 -.1023 999.9900 -.8810 999.9900 -.8522 -.6118 .1491 .3636 .2743 -.2645 23 GLY 23 -.9638 999.9900 999.9900 999.9900 -.2133 -.5885 .6497 .0092 .2939 -.1295 24 PRO 24 -.4052 999.9900 999.9900 999.9900 .1827 -.1113 .4778 .5883 .5423 .2109 25 GLN 25 1.0381 -.9749 999.9900 2.7911 .5113 .8414 -.1545 .3045 .1132 .5859 26 GLU 26 .6833 .8034 999.9900 -1.0323 -1.0906 -.1591 .5782 .4110 .4807 .0588 27 ALA 27 .8241 999.9900 999.9900 999.9900 -.2278 .2982 .6815 .6421 .6585 .4800 28 LEU 28 1.1349 .8847 999.9900 999.9900 .7753 .9316 .5069 .5318 .5214 .7667 29 ALA 29 .8241 999.9900 999.9900 999.9900 .0212 .4227 .3786 .6381 .5300 .4655 30 GLN 30 .6461 .7982 999.9900 1.3059 .6605 .8527 .2888 .4143 .3620 .6856 31 LEU 31 .9913 .9108 999.9900 999.9900 .4774 .7932 .5278 .4905 .5061 .6796 32 ARG 32 .8469 -.0184 999.9900 .6901 -.0022 .4413 .3146 .1462 .2163 .3810 33 GLU 33 .5470 -.3719 999.9900 .3501 .0814 .1516 .6119 .5278 .5628 .2910 34 LEU 34 1.1349 .8730 999.9900 999.9900 -.2790 .5763 .5860 .6332 .6135 .5896 35 CYS 35 1.0802 999.9900 .8629 999.9900 .7355 .8928 .6108 .6691 .6448 .7917 36 ARG 36 .8354 -2.3766 999.9900 .5548 -.0022 -.0867 -.0774 .1293 .0432 -.0545 37 GLN 37 .9732 .8911 999.9900 1.3059 .6133 .9459 .0322 .4398 .2700 .7093 38 TRP 38 -.9087 -1.9067 999.9900 999.9900 -.9146 -1.2433 -.0986 -.1803 -.1463 -.8018 39 LEU 39 .6296 .8730 999.9900 999.9900 .2713 .5913 .3686 .5113 .4518 .5307 40 ARG 40 -2.9267 .7317 999.9900 .6901 -.1565 -.1943 .5561 -.1350 .1530 -.0786 41 PRO 41 -.1156 999.9900 999.9900 999.9900 .1827 .0336 .4145 .5318 .4829 .2534 42 GLU 42 -.2127 -.8169 999.9900 -1.0323 .6424 -.3549 .5268 .2013 .3369 -.1152 43 VAL 43 -2.3613 999.9900 -1.0788 999.9900 .8778 -.8541 .5829 .4598 .5111 -.3039 44 ARG 44 -1.0405 1.1781 999.9900 .1593 .2455 .1404 .2376 .5903 .4433 .2185 45 SER 45 -1.2908 999.9900 -.7153 999.9900 .6235 -.4609 .1431 .5363 .3725 -.1406 46 LYS 46 .9451 -2.9005 999.9900 -.4035 -1.2036 -.7932 .0373 .3546 .2223 -.5106 47 GLU 47 .8733 -.4402 999.9900 -1.0323 -.1867 -.1965 .6870 .3028 .4629 .0340 48 GLN 48 .7370 -.5355 999.9900 1.3059 1.1269 .6586 .4576 .5286 .4990 .6034 49 MET 49 .8064 .8879 999.9900 .9587 -1.9874 .1664 .1386 .5789 .3955 .2305 50 LEU 50 .8182 -2.4128 999.9900 999.9900 .3346 -.4200 -.1449 .4463 .2000 -.1917 51 GLU 51 .7157 .7809 999.9900 -1.0323 .7127 .2942 .2812 .2013 .2346 .2766 52 LEU 52 1.1349 .8730 999.9900 999.9900 -.1723 .6119 .5054 .6706 .6018 .6023 53 LEU 53 .6509 -.6141 999.9900 999.9900 -1.2350 -.3994 -.0987 -.5214 -.3453 -.3637 54 VAL 54 1.0462 999.9900 .1416 999.9900 .2853 .4910 .6287 .5804 .6005 .5365 55 LEU 55 .8786 .5315 999.9900 999.9900 .6708 .6936 .6615 .5177 .5776 .6520 56 GLU 56 .1185 -.4584 999.9900 -1.0323 .0814 -.3227 .5032 .5121 .5084 -.0459 57 GLN 57 .9013 .1562 999.9900 1.3059 .6605 .7560 -.0521 .6122 .3354 .5973 58 PHE 58 1.2168 .5389 999.9900 999.9900 .7573 .8377 .5699 .6881 .6388 .7542 59 LEU 59 1.1349 .5402 999.9900 999.9900 .9730 .8827 .4162 .4440 .4324 .7016 60 GLY 60 -.2363 999.9900 999.9900 999.9900 -.1733 -.2048 .6362 .6545 .6464 .2203 61 ALA 61 .2107 999.9900 999.9900 999.9900 -.3587 -.0740 .6619 .6270 .6416 .2852 62 LEU 62 -1.0000 .9108 999.9900 999.9900 -.1723 -.0872 .6690 -.0088 .2736 .0797 63 PRO 63 .6201 999.9900 999.9900 999.9900 .2426 .4314 .4760 .0792 .2445 .3545 64 PRO 64 -1.2813 999.9900 999.9900 999.9900 .6188 -.3312 .2302 .5128 .3950 .0201 65 GLU 65 .8733 -.3402 999.9900 -1.0323 .3899 -.0273 .3843 .1919 .2721 .0778 66 ILE 66 .6852 .6227 999.9900 999.9900 .3195 .5425 .4999 .5260 .5151 .5307 67 GLN 67 1.0064 .6816 999.9900 1.3059 .5636 .8894 .5951 .4587 .5156 .7686 68 ALA 68 .8001 999.9900 999.9900 999.9900 .6227 .7114 .6610 .6964 .6816 .6950 69 ARG 69 1.1353 .1080 999.9900 1.6274 -.2445 .8507 .6331 .6159 .6231 .7861 70 VAL 70 .8065 999.9900 .4980 999.9900 -1.3636 -.0197 -.0689 .5026 .2645 .0749 71 GLN 71 .9732 -1.4944 999.9900 1.3059 .0346 .2048 .4061 .6057 .5225 .3052 72 GLY 72 .2494 999.9900 999.9900 999.9900 .6270 .4382 .5634 .6071 .5877 .5117 73 GLN 73 -1.3658 .0854 999.9900 1.3059 -.1596 -.0335 .5360 .4315 .4750 .1389 74 ARG 74 -2.9267 .1363 999.9900 .1593 .6379 -.3668 .4044 -.0513 .1386 -.2115 75 PRO 75 -.8433 999.9900 999.9900 999.9900 .4496 -.1968 .3605 .5347 .4621 .1254 76 GLY 76 .9055 999.9900 999.9900 999.9900 .4883 .6969 .3448 .6040 .4888 .5856 77 SER 77 .0280 999.9900 -.7153 999.9900 -.7427 -.4767 .3864 .3539 .3675 -.1380 78 PRO 78 -.3299 999.9900 999.9900 999.9900 .5793 .1247 .5045 .3182 .3958 .2680 79 GLU 79 .6833 1.0525 999.9900 -1.0323 -.3984 .0762 .5978 .4092 .4878 .2187 80 GLU 80 .8171 -.4584 999.9900 -1.0323 .1264 -.1368 .4121 .5272 .4792 .0653 81 ALA 81 .8241 999.9900 999.9900 999.9900 .3801 .6021 .6548 .6201 .6346 .6198 82 ALA 82 .8241 999.9900 999.9900 999.9900 .4999 .6620 .1802 .4395 .3315 .4859 83 ALA 83 .9879 999.9900 999.9900 999.9900 -.1129 .4375 .4690 .3758 .4146 .4299 84 LEU 84 .8442 -3.3760 999.9900 999.9900 .2713 -.7535 .2785 -1.1393 -.5485 -.6242 85 VAL 85 .5660 999.9900 -.5532 999.9900 -.3121 -.0998 .6491 .3371 .4671 .1374 86 ASP 86 1.1359 -1.4542 999.9900 999.9900 .8104 .1640 .6014 .4660 .5224 .3119 87 GLY 87 -.5849 999.9900 999.9900 999.9900 .5429 -.0210 .3708 .5683 .4805 .2243 88 LEU 88 -.4552 .8710 999.9900 999.9900 -1.0998 -.2280 .5461 .6793 .6238 .1083 89 ARG 89 -2.5097 1.1781 999.9900 1.0005 -.0022 .1334 .1594 -.0149 .0577 .1160 90 ARG 90 -1.6049 -2.8571 999.9900 .1593 -.5739 -.9435 .2075 -.3029 -.0902 -.6875 91 GLU 91 -1.6894 .6653 999.9900 -1.0323 -.1261 -.5456 .5460 .4251 .4755 -.2019 92 PRO 92 -3.0630 999.9900 999.9900 999.9900 .6188 -1.2221 -.3911 .6160 .1964 -.5548 93 GLY 93 -1.5291 999.9900 999.9900 999.9900 .3466 -.5912 .1328 .6199 .4034 -.1074 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .5340 .4699 .5066 .5020 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .5943 .5943 -.0018 .6001 .3421 .3975 96 SER 302 .2908 999.9900 .3727 999.9900 .5215 .3950 .3152 .5149 .4317 .4030 97 ASP 303 -.1312 -.9533 999.9900 999.9900 -1.5875 -.8907 .4979 .2551 .3563 -.3838 98 PRO 304 -1.4874 999.9900 999.9900 999.9900 -1.6867 -1.5871 .3614 .0983 .2079 -.6786 99 GLY 305 -2.2927 999.9900 999.9900 999.9900 .7185 -.7871 -.6151 .0868 -.2252 -.5256 100 PRO 306 .6171 999.9900 999.9900 999.9900 .3519 .4845 .6569 .6101 .6296 .5590 101 GLU 307 1.0761 -.2670 999.9900 .3501 -.1867 .2431 .4603 .5693 .5239 .3337 102 ALA 308 .9879 999.9900 999.9900 999.9900 .4419 .7149 .6775 .6205 .6443 .6820 103 ALA 309 .6648 999.9900 999.9900 999.9900 .2908 .4778 .6334 .6190 .6250 .5520 104 ARG 310 1.1353 .3358 999.9900 .1593 .6728 .4925 .5171 .5253 .5219 .5007 105 LEU 311 .9913 .3419 999.9900 999.9900 .3942 .5758 -.2322 .4578 .1703 .3906 106 ARG 312 1.1353 1.0644 999.9900 .1593 .4407 .5918 .4336 .5120 .4793 .5578 107 PHE 313 1.2230 -.1636 999.9900 999.9900 .3981 .4858 .4347 -.2585 .0303 .3267 108 ARG 314 .6655 -.2494 999.9900 .5548 .6728 .4397 .4429 .5326 .4953 .4534 109 CYS 315 .1005 999.9900 .1296 999.9900 .2612 .1638 .4990 .6762 .6024 .3333 110 PHE 316 -.8715 -.1118 999.9900 999.9900 .2172 -.2554 .2641 .6830 .5085 .0362 111 HIS 317 -.3517 -3.1083 999.9900 999.9900 -1.0138 -1.4912 -1.0875 .2280 -.3201 -1.0666 112 TYR 318 -.5013 -.2298 999.9900 999.9900 .6556 -.0252 -1.6962 -.0056 -.7100 -.3555 113 GLU 319 -.7442 -.6022 999.9900 .3501 .1264 -.2175 -1.6792 .4405 -.4427 -.3514 114 GLU 320 .4426 1.2631 999.9900 1.1588 .3568 .8053 .2343 .6122 .4548 .6779 115 ALA 321 .8001 999.9900 999.9900 999.9900 -.0434 .3783 .6571 .5706 .6066 .4961 116 THR 322 -.1023 999.9900 -.8810 999.9900 .6112 -.1241 .0198 .3785 .2290 .0052 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.7584 -.8867 .5639 .0816 .2960 -.2820 118 PRO 324 .0709 999.9900 999.9900 999.9900 .2426 .1568 .0924 .4253 .2866 .2078 119 GLN 325 .7370 -.5092 999.9900 1.3059 -1.2230 .0777 -.6217 -.0644 -.2966 -.0626 120 GLU 326 .6833 .5040 999.9900 -1.0323 -1.2865 -.2829 .5691 .2992 .4116 -.0439 121 ALA 327 .9879 999.9900 999.9900 999.9900 .4999 .7439 .5850 .6420 .6182 .6787 122 LEU 328 1.1349 .8847 999.9900 999.9900 .5293 .8496 .2617 .4837 .3912 .6589 123 ALA 329 .6648 999.9900 999.9900 999.9900 .0212 .3430 .5390 .5797 .5627 .4512 124 GLN 330 1.0381 1.1815 999.9900 1.3059 .5636 1.0223 .0576 .5089 .3209 .7759 125 LEU 331 .8182 .9108 999.9900 999.9900 .4504 .7265 .5571 .4241 .4795 .6321 126 ARG 332 .6655 -.1588 999.9900 .5548 -1.0907 .1051 .2501 -.9905 -.4736 -.0307 127 GLU 333 .8733 .7809 999.9900 1.1588 .5923 .8513 .6321 .6665 .6522 .7840 128 LEU 334 1.1349 .8730 999.9900 999.9900 .5293 .8457 .6477 .6601 .6549 .7690 129 CYS 335 1.4696 999.9900 .1296 999.9900 -.3261 .4244 .5941 .5890 .5911 .4912 130 ARG 336 .9556 -1.8960 999.9900 .1593 .2983 -.0647 -.1698 .2769 .0908 -.0309 131 GLN 337 .4537 -.1114 999.9900 1.3059 1.1269 .6938 -.2146 .5141 .2105 .5124 132 TRP 338 -1.4299 -1.6686 999.9900 999.9900 .4467 -.8839 .1231 -.1436 -.0325 -.5345 133 LEU 339 .0401 .8710 999.9900 999.9900 .5787 .4966 .5972 .6256 .6138 .5425 134 ARG 340 -2.5097 1.0858 999.9900 .6901 -.2445 -.0577 .6941 -.3099 .1085 .0137 135 PRO 341 .4523 999.9900 999.9900 999.9900 .8563 .6543 -.0767 .5169 .2695 .4372 136 GLU 342 .1025 -1.4588 999.9900 -1.0323 .4526 -.4840 .5031 .0912 .2628 -.2236 137 VAL 343 -1.6424 999.9900 -.5532 999.9900 .6025 -.5310 .3016 .4789 .4050 -.1625 138 ARG 344 -.5614 1.1781 999.9900 .1593 -.3418 .1187 .0662 .4678 .3005 .1611 139 SER 345 -.4961 999.9900 -.0289 999.9900 .3425 -.0608 .0788 .5281 .3409 .0849 140 LYS 346 .2805 -2.9005 999.9900 -.0770 -.4103 -.6369 -.3033 .3352 .0692 -.4503 141 GLU 347 .6116 -.6022 999.9900 .3501 .1264 .1215 .6160 .4110 .4964 .2522 142 GLN 348 .9013 -2.2325 999.9900 1.3059 -.1596 -.0462 .2993 .4782 .4036 .0987 143 MET 349 .9193 .8879 999.9900 .9587 -1.2625 .3758 .3050 .5293 .4358 .3896 144 LEU 350 .2355 -1.8410 999.9900 999.9900 -.1723 -.5926 .0064 .5182 .3050 -.2506 145 GLU 351 .8733 .8034 999.9900 -1.0323 .3899 .2586 .0457 .3253 .2088 .2342 146 LEU 352 1.1349 .8730 999.9900 999.9900 .4774 .8284 .5124 .6669 .6025 .7329 147 LEU 353 .6509 -.0082 999.9900 999.9900 -.9806 -.1126 -1.0165 -.0235 -.4372 -.2756 148 VAL 354 1.0462 999.9900 .5873 999.9900 -.2503 .4611 .5936 .5570 .5723 .5068 149 LEU 355 .8182 .5315 999.9900 999.9900 .7753 .7083 .6722 .4854 .5632 .6565 150 GLU 356 .1185 -.2267 999.9900 -1.0323 .3568 -.1960 .2583 .3909 .3356 -.0224 151 GLN 357 .9013 -.2721 999.9900 1.3059 .1963 .5328 .3040 .5271 .4342 .4937 152 PHE 358 1.2168 .8308 999.9900 999.9900 .5949 .8808 .5903 .6714 .6376 .7808 153 LEU 359 1.1349 .5236 999.9900 999.9900 .6926 .7837 .4039 .4873 .4526 .6485 154 GLY 360 -.4135 999.9900 999.9900 999.9900 -.0291 -.2213 .6887 .6661 .6762 .2280 155 ALA 361 .5364 999.9900 999.9900 999.9900 -.8374 -.1505 .6745 .6139 .6392 .2469 156 LEU 362 -.7094 .9108 999.9900 999.9900 .9730 .3914 .5930 .1442 .3312 .3823 157 PRO 363 .4197 999.9900 999.9900 999.9900 .2426 .3312 -.0719 .1244 .0426 .1787 158 PRO 364 -3.0630 999.9900 999.9900 999.9900 -.4005 -1.7318 .4917 .2417 .3459 -.6825 159 GLU 365 .5470 -.8169 999.9900 -1.0323 .2491 -.2633 .6025 -.0230 .2376 -.0789 160 ILE 366 1.0115 .6227 999.9900 999.9900 .4912 .7085 .5390 .5966 .5726 .6522 161 GLN 367 1.2265 .6816 999.9900 1.3059 .6605 .9686 .5667 .6264 .6015 .8446 162 ALA 368 .8001 999.9900 999.9900 999.9900 .8152 .8077 .6182 .6512 .6375 .7212 163 ARG 369 .9011 .0264 999.9900 .5548 .7064 .5487 .4890 .1347 .2823 .4810 164 VAL 370 .8065 999.9900 .4980 999.9900 -1.3636 -.0197 .1254 .3674 .2665 .0867 165 GLN 371 .7451 .2375 999.9900 1.3059 1.1269 .8538 .4780 .6184 .5599 .7520 166 GLY 372 -.2363 999.9900 999.9900 999.9900 -.0631 -.1497 .4979 .6566 .5861 .2138 167 GLN 373 -2.0516 .3754 999.9900 1.3059 -2.2865 -.6642 .6842 .6439 .6607 -.2214 168 ARG 374 -2.9267 .0264 999.9900 .1593 .4407 -.4282 .5258 .0737 .2620 -.2202 169 PRO 375 .0709 999.9900 999.9900 999.9900 .6188 .3449 .5609 .5314 .5437 .4455 170 GLY 376 1.0023 999.9900 999.9900 999.9900 .9364 .9694 .4632 .6134 .5466 .7538 171 SER 377 -.2454 999.9900 -.7153 999.9900 .9098 -.0170 .2976 .4348 .3776 .1363 172 PRO 378 .4216 999.9900 999.9900 999.9900 .1827 .3021 .5554 .4304 .4825 .3975 173 GLU 379 .6833 1.1195 999.9900 -1.0323 -.7952 -.0062 .5890 .4007 .4792 .1608 174 GLU 380 .8171 -.2267 999.9900 -1.0323 -.3984 -.2101 .2950 .4611 .3919 -.0141 175 ALA 381 .8241 999.9900 999.9900 999.9900 .3801 .6021 .6849 .6794 .6817 .6421 176 ALA 382 .5799 999.9900 999.9900 999.9900 .8018 .6908 -.0367 .6108 .3410 .4889 177 ALA 383 .3637 999.9900 999.9900 999.9900 .9520 .6579 .4641 .4914 .4800 .5678 178 LEU 384 1.1349 -3.3760 999.9900 999.9900 -.3368 -.8593 .2648 -1.1553 -.5636 -.6937 179 VAL 385 .5660 999.9900 -1.0788 999.9900 .2505 -.0874 .6598 .2966 .4479 .1388 180 ASP 386 1.3227 -.5059 999.9900 999.9900 .6310 .4826 .6702 .6562 .6620 .5548 181 GLY 387 -1.0419 999.9900 999.9900 999.9900 -.0291 -.5355 .6193 .6714 .6482 .0549 182 LEU 388 .2872 .8730 999.9900 999.9900 -.9806 .0599 .5376 .6098 .5797 .2654 183 ARG 389 -2.9267 1.0644 999.9900 .1593 -.1565 -.3400 .1313 .4958 .3440 -.1533 184 ARG 390 -2.9267 -.0184 999.9900 .5548 -.4506 -.4572 .2622 .3745 .3277 -.2356 185 GLU 391 -2.1524 .7809 999.9900 -1.0323 -.1867 -.6476 .2287 .5226 .4001 -.3065 186 PRO 392 -2.8996 999.9900 999.9900 999.9900 -.1935 -1.5465 -1.0712 .6201 -.0846 -.8860 187 GLY 393 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 -.4608 .5098 .0785 -.6524 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -1.5505 .0819 -.7343 -.7343 Means: .1117 -.0604 -.2283 .3443 .1136 .1044 .3015 .4020 .3598 .1994 2.00 refined_7