1 GLU 1 999.9900 .7809 999.9900 -1.0323 -.9305 -.3940 .5498 .6690 .6148 .0074 2 ALA 2 -1.9568 999.9900 999.9900 999.9900 -1.0083 -1.4826 -.1203 .5594 .2762 -.6315 3 GLU 3 -.3633 .4158 999.9900 1.1588 -.6780 .1333 -.2219 .6127 .2649 .1540 4 VAL 4 -1.9210 999.9900 -.5532 999.9900 -.3121 -.9287 -.6020 .0055 -.2476 -.6766 5 HIS 5 -3.0884 .3722 999.9900 999.9900 -1.6368 -1.4510 .2550 -.0904 .0535 -.8377 6 ASN 6 -3.4329 -1.2512 999.9900 999.9900 -1.3432 -2.0091 .1133 .2400 .1872 -1.1348 7 GLN 7 -2.2003 1.1250 999.9900 1.3059 .6605 .2228 -.5959 -.0232 -.2618 .0453 8 LEU 8 -.1655 .9108 999.9900 999.9900 .7753 .5068 -.9317 .4813 -.1074 .2140 9 GLU 9 -.4325 .0891 999.9900 -1.0323 .6899 -.1715 -1.2188 -.0360 -.5288 -.3234 10 ILE 10 .2593 .6227 999.9900 999.9900 -.7199 .0540 -.3275 .5925 .2092 .0854 11 LYS 11 -.1765 .1550 999.9900 .4405 -.6710 .0377 -.6719 .1934 -.1671 -.0414 12 PHE 12 -.2560 .3647 999.9900 999.9900 .0736 .0608 .1181 .5321 .3596 .1665 13 ARG 13 -.7228 .4266 999.9900 .1593 -1.7309 -.3417 -.0318 .3202 .1735 -.2029 14 LEU 14 -.8268 .5280 999.9900 999.9900 -.6084 -.3024 .1241 .2931 .2227 -.0980 15 THR 15 -.1166 999.9900 -.8810 999.9900 -.3332 -.4436 .4823 .3664 .4147 -.0964 16 ASP 16 .0771 -.7868 999.9900 999.9900 -.5661 -.4253 .6131 .6381 .6277 -.0049 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .7039 .9089 -.0415 .6500 .3427 .6066 18 SER 18 -.4678 999.9900 -.0289 999.9900 -.4586 -.3184 .3440 .4113 .3833 -.0400 19 ASP 19 -1.5212 -1.5469 999.9900 999.9900 .5121 -.8520 -.8156 -.5982 -.6888 -.7940 20 ILE 20 -.4035 .6227 999.9900 999.9900 1.0081 .4091 .2323 .0409 .1207 .3001 21 GLY 21 -1.3026 999.9900 999.9900 999.9900 -.9224 -1.1125 .5662 .4489 .5010 -.3025 22 PRO 22 .3744 999.9900 999.9900 999.9900 .7281 .5513 -.5931 .0718 -.2052 .1453 23 LYS 23 -.3223 .8340 999.9900 1.3759 -.3378 .5851 .3835 -.4280 -.0899 .4116 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .3365 -.2457 .2479 .5337 .4146 .0726 25 PHE 25 .0766 -.4548 999.9900 999.9900 -2.2412 -.8732 -.2064 -.2928 -.2568 -.6237 26 PRO 26 -.2605 999.9900 999.9900 999.9900 .8563 .2979 .3582 .3518 .3545 .3264 27 ASP 27 .6418 -.5192 999.9900 999.9900 .5431 .2219 .3782 .4064 .3946 .2901 28 ALA 28 -.4579 999.9900 999.9900 999.9900 -.1129 -.2854 .6212 .5910 .6036 .1604 29 THR 29 -.3748 999.9900 -.8810 999.9900 .6695 -.1954 -.0062 .2638 .1513 -.0658 30 THR 30 -.1761 999.9900 .2916 999.9900 .6112 .2422 .2736 .6600 .4990 .3320 31 VAL 31 -.2252 999.9900 .5873 999.9900 -.3121 .0167 .5897 .5501 .5666 .2380 32 SER 32 .7360 999.9900 -.0289 999.9900 .6235 .4436 .1952 .5991 .4308 .4250 33 ALA 33 .2107 999.9900 999.9900 999.9900 -.1129 .0489 .2861 .6554 .5015 .2598 34 LEU 34 .9913 .3419 999.9900 999.9900 .5787 .6373 -.2749 -.2393 -.2542 .2795 35 LYS 35 .6780 1.1488 999.9900 .4411 -2.6618 .0095 .5037 .2543 .3582 .1150 36 GLU 36 .8604 .6194 999.9900 1.7325 -.4821 .6826 .6104 .4898 .5400 .6384 37 THR 37 .8449 999.9900 .2916 999.9900 .4476 .5280 .4068 .4732 .4455 .4928 38 VAL 38 .9834 999.9900 .1416 999.9900 .7810 .6354 .4110 .6003 .5214 .5835 39 ILE 39 .7069 .6227 999.9900 999.9900 .2216 .5171 .2705 .5094 .4098 .4662 40 SER 40 .8760 999.9900 .6576 999.9900 -.4586 .3583 .4127 .5499 .4928 .4075 41 GLU 41 -.4382 -.8169 999.9900 -1.0323 .3899 -.4744 .2052 .4791 .3650 -.2022 42 TRP 42 -.8485 .0906 999.9900 999.9900 -.9146 -.5575 .5782 .0138 .2490 -.2161 43 PRO 43 -1.9661 999.9900 999.9900 999.9900 -.1935 -1.0798 .2448 .4493 .3641 -.3664 44 ARG 44 .6655 -.1588 999.9900 1.2696 .3956 .6883 .4361 .5472 .5009 .6321 45 GLU 45 -.4919 1.1195 999.9900 -1.0323 .7127 .0770 .6063 .6000 .6027 .2524 46 LYS 46 -.7407 -2.9005 999.9900 -.0770 .7460 -.6098 -.0019 .4965 .2888 -.3649 47 GLU 47 -.4269 -.9977 999.9900 -1.0323 .0814 -.5939 -.4051 -.0037 -.1710 -.4641 48 ASN 48 -3.4329 -1.3461 999.9900 999.9900 .3587 -1.4734 -.4088 .0036 -.1682 -.9651 49 GLY 49 -.2180 999.9900 999.9900 999.9900 -.2551 -.2366 -.3459 .1106 -.0923 -.1771 50 PRO 50 .1514 999.9900 999.9900 999.9900 .8563 .5038 .4247 .6661 .5655 .5246 51 LYS 51 -3.5196 .8340 999.9900 1.3578 .5595 .1179 .2911 .6768 .5161 .2225 52 THR 52 -.1311 999.9900 -.8810 999.9900 -1.6680 -.8934 .0469 .6018 .3706 -.4063 53 VAL 53 .5660 999.9900 -1.0788 999.9900 -.0858 -.1995 .4614 .3698 .4080 .0465 54 LYS 54 1.2214 .1550 999.9900 -.0397 -2.0338 -.1474 .5833 .6038 .5953 .0643 55 GLU 55 -.6726 .4305 999.9900 .3501 1.0761 .2960 .1633 .4807 .3484 .3047 56 VAL 56 .0482 999.9900 -1.0788 999.9900 -1.0415 -.6907 .3180 .3083 .3123 -.2892 57 LYS 57 -.3286 .0031 999.9900 -.0770 .5062 .0053 .4947 .6664 .5948 .1697 58 LEU 58 .0986 -1.6462 999.9900 999.9900 .2381 -.4365 .1008 .5438 .3592 -.1330 59 ILE 59 .0187 .6227 999.9900 999.9900 .3195 .3203 .1198 .6178 .4103 .3397 60 SER 60 -.3484 999.9900 .3727 999.9900 .6705 .2316 .3848 .4902 .4463 .3140 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .2908 -.7172 .5689 .5612 .5644 -.0761 62 GLY 62 1.0529 999.9900 999.9900 999.9900 .4101 .7315 .3174 .6789 .5182 .6148 63 LYS 63 -.1665 -.2562 999.9900 .9312 -.8987 .1082 -.4987 .5901 .1364 .0903 64 VAL 64 -1.2914 999.9900 -.2457 999.9900 -1.8525 -1.1299 -.0100 .3662 .2095 -.6067 65 LEU 65 -.9215 .2345 999.9900 999.9900 .7139 .0090 .3980 .6500 .5450 .2150 66 GLU 66 -.4269 1.1195 999.9900 -1.0323 -1.0906 -.3576 .3371 .5683 .4720 -.0875 67 ASN 67 .7786 1.0524 999.9900 999.9900 .1585 .6632 .3421 .5893 .4863 .5842 68 SER 68 .2458 999.9900 .3727 999.9900 .7982 .4722 .3987 .4527 .4302 .4536 69 LYS 69 -1.3827 .0632 999.9900 .3546 .1791 -.0862 .3303 .6125 .4949 .0731 70 THR 70 -.4146 999.9900 .4804 999.9900 -.1184 -.0175 .1572 .5789 .4032 .1367 71 VAL 71 .5660 999.9900 .7395 999.9900 .8960 .7338 .5755 .5095 .5370 .6573 72 LYS 72 .7090 .8340 999.9900 1.2407 .2547 .8558 .6476 .3975 .5017 .7606 73 ASP 73 .6418 -.9304 999.9900 999.9900 .4469 .0528 .3016 .6204 .4876 .2161 74 TYR 74 -.4658 .8258 999.9900 999.9900 .0463 .1354 -.0270 .4551 .2543 .1669 75 ARG 75 -1.7561 .1080 999.9900 .1593 -1.0907 -.4840 -.1351 .3972 .1754 -.3083 76 SER 76 -.2806 999.9900 -.0289 999.9900 .0747 -.0782 .2305 .2727 .2551 .0537 77 PRO 77 .6171 999.9900 999.9900 999.9900 -1.3105 -.3467 -1.3603 .2909 -.3971 -.4407 78 VAL 78 -1.7692 999.9900 -1.0788 999.9900 -.4490 -1.0990 .0205 .4151 .2507 -.5723 79 SER 79 -1.0548 999.9900 -.0289 999.9900 .1994 -.2947 .5129 .5151 .5142 .0288 80 ASN 80 -1.2316 -1.0148 999.9900 999.9900 .5588 -.5625 -.2557 .1256 -.0333 -.3636 81 LEU 81 -.6213 .8730 999.9900 999.9900 .4774 .2430 -1.9385 .4721 -.5323 -.1474 82 ALA 82 -2.0449 999.9900 999.9900 999.9900 .8152 -.6148 .2416 .6135 .4585 -.0936 83 GLY 83 .8124 999.9900 999.9900 999.9900 .8016 .8070 .1966 .6878 .4695 .6246 84 ALA 84 -.7739 999.9900 999.9900 999.9900 .6390 -.0675 -.2111 .6758 .3063 .0825 85 VAL 85 -.1473 999.9900 .5873 999.9900 .8778 .4393 -.6694 .6145 .0795 .2526 86 THR 86 .2423 999.9900 .2916 999.9900 .1092 .2144 -1.1550 .6233 -.1176 .0223 87 THR 87 .4171 999.9900 .8779 999.9900 .5164 .6038 -.8153 .5943 .0070 .3181 88 MET 88 -.2651 1.0862 999.9900 .9587 .3104 .5225 .0960 .5595 .3663 .4576 89 HIS 89 -.2950 1.1349 999.9900 999.9900 .5967 .4788 -.2233 .4875 .1913 .3401 90 VAL 90 .3116 999.9900 -.0276 999.9900 .7810 .3550 -1.8869 .5075 -.4901 -.0629 91 ILE 91 -.0022 -1.6252 999.9900 999.9900 -1.2029 -.9434 -.7866 .3425 -.1279 -.6549 92 ILE 92 -.9289 -.0177 999.9900 999.9900 -2.8566 -1.2678 -.8342 .5376 -.0340 -.8200 93 GLN 93 -.7185 1.2376 999.9900 1.3059 .1963 .5053 -.4789 .3522 .0059 .3158 94 ALA 94 -1.0292 999.9900 999.9900 999.9900 .7881 -.1206 .3968 .6087 .5204 .1911 95 PRO 95 .4049 999.9900 999.9900 999.9900 .7944 .5996 .2560 .4579 .3738 .4783 96 VAL 96 -2.8391 999.9900 -1.0788 999.9900 -1.0415 -1.6531 -.3165 .2636 .0219 -1.0025 97 THR 97 -1.1887 999.9900 .6346 999.9900 .6112 .0190 -.5770 .4839 .0419 -.0072 98 GLU 98 -1.0962 -2.8418 999.9900 -1.0323 -1.8950 -1.7163 .3573 -.1611 .0549 -1.1115 99 LYS 99 -1.5497 -.2695 999.9900 .9312 -.8987 -.1711 -.9062 .3537 -.1713 -.2011 100 GLU 100 -2.0601 .5971 999.9900 -1.0323 -.1261 -.6554 .0840 .1117 .1002 -.4043 101 LYS 101 999.9900 .8596 999.9900 -.4035 999.9900 .0175 -.0390 .2815 .1441 .0590 Means: -.4546 .0706 -.0583 .3337 -.0859 -.1126 .0051 .4019 .2360 .0090 2.00 refined_9