1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7057 .7061 .7059 .7333 2 HIS 2 -3.0884 -.7214 999.9900 999.9900 .6686 -1.0470 .7053 .7031 .7040 -.3465 3 HIS 3 -1.0475 -1.3248 999.9900 999.9900 .6686 -.5679 .7057 .7029 .7040 -.0590 4 HIS 4 -.6701 -3.1083 999.9900 999.9900 .6686 -1.0366 .7055 .7038 .7045 -.3401 5 HIS 5 -.8113 -3.1083 999.9900 999.9900 .6686 -1.0837 .7051 .7032 .7040 -.3685 6 HIS 6 -.2950 -2.4183 999.9900 999.9900 .6686 -.6816 .7055 .7029 .7040 -.1273 7 HIS 7 -.2167 -.9211 999.9900 999.9900 .6686 -.1564 .7058 .7033 .7043 .1880 8 LEU 8 -.7094 -2.2115 999.9900 999.9900 .9565 -.6548 .7062 .7031 .7044 -.1110 9 GLU 9 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .7058 .7026 .7039 -.8336 10 CYS 10 -.4453 999.9900 .1296 999.9900 1.0610 .2485 .7065 .7026 .7043 .4309 11 SER 11 -.7443 999.9900 .8786 999.9900 .8922 .3422 .7067 .7028 .7044 .4872 12 SER 12 .8651 999.9900 -.0289 999.9900 .7781 .5381 .7065 .7035 .7047 .6049 13 ASP 13 -3.3417 -2.8653 999.9900 999.9900 .7118 -1.8317 .7056 .7041 .7047 -.8171 14 SER 14 -1.0753 999.9900 .8786 999.9900 .6705 .1579 .7060 .7031 .7043 .3766 15 LEU 15 -3.7702 -2.0611 999.9900 999.9900 .9565 -1.6249 .7062 .7028 .7042 -.6931 16 GLN 16 -2.2003 -1.0871 999.9900 1.3059 .5113 -.3676 .7057 .7042 .7048 -.0100 17 LEU 17 -.4738 .5521 999.9900 999.9900 .8331 .3038 .7065 .7025 .7042 .4641 18 HIS 18 -.6701 -2.4183 999.9900 999.9900 .6686 -.8066 .7062 .7033 .7045 -.2021 19 ASN 19 -.5865 -3.3254 999.9900 999.9900 .7518 -1.0534 .7065 .7033 .7046 -.3501 20 VAL 20 -.0463 999.9900 .5873 999.9900 .7810 .4407 .7063 .7061 .7062 .5469 21 PHE 21 -.2457 .6387 999.9900 999.9900 .7573 .3834 .7063 .7032 .7045 .5120 22 VAL 22 -2.7360 999.9900 -1.0788 999.9900 .8778 -.9790 .7065 .7065 .7065 -.3048 23 TYR 23 -3.6999 -1.5559 999.9900 999.9900 .5630 -1.5643 .7061 .7025 .7040 -.6569 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7064 .7051 .7057 -.3118 25 SER 25 .5661 999.9900 -.0289 999.9900 .6705 .4026 .7069 .7023 .7042 .5234 26 PHE 26 -2.5364 -.0090 999.9900 999.9900 .8629 -.5608 .7068 .7034 .7048 -.0545 27 GLN 27 -.0365 -2.6982 999.9900 1.3059 .5113 -.2294 .7064 .7027 .7043 .0819 28 ASP 28 -.4515 -1.3712 999.9900 999.9900 .8104 -.3374 .7066 .6571 .6777 .0703 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7058 .6213 .6565 .4153 30 ASP 30 1.0149 -.4551 999.9900 999.9900 .8104 .4567 .7062 .7043 .7051 .5561 31 VAL 31 .3707 999.9900 -.5532 999.9900 .7810 .1995 .7059 .7060 .7060 .4021 32 ILE 32 1.0115 -.3653 999.9900 999.9900 .6034 .4165 .7066 .7064 .7065 .5325 33 ASN 33 .9642 -2.0766 999.9900 999.9900 .8079 -.1015 .7064 .7034 .7046 .2211 34 VAL 34 -.2954 999.9900 -1.0788 999.9900 .7810 -.1977 .7065 .7060 .7062 .1639 35 MET 35 .5476 -2.5481 999.9900 2.2863 .5203 .2015 .7055 .7026 .7038 .3690 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7067 .7031 .7046 -.8977 37 ASP 37 -3.3417 -2.6388 999.9900 999.9900 .7118 -1.7562 .7059 .7039 .7047 -.7718 38 ARG 38 -1.6049 .1897 999.9900 .1593 .8581 -.0477 .7066 .7026 .7042 .1672 39 THR 39 -.3556 999.9900 -.8810 999.9900 .4476 -.2630 .7069 .6592 .6791 .1154 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7067 .6083 .6493 .5461 41 GLU 41 -.7635 -.0968 999.9900 .3501 .6899 .0449 .7067 .7037 .7050 .2650 42 ILE 42 -.4035 -2.2551 999.9900 999.9900 1.0081 -.5502 .7068 .7057 .7061 -.0476 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7063 .7057 .7060 .2575 44 SER 44 -.5457 999.9900 -.0289 999.9900 .7781 .0679 .7067 .7026 .7043 .3226 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7065 .7058 .7061 .4257 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7067 .7057 .7061 .6493 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .8331 -.8299 .7061 .6507 .6738 -.2266 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7048 .6117 .6505 .5465 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7060 .7061 .7060 .8178 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .7573 .1741 .7063 .7030 .7044 .3863 51 GLN 51 -.3431 -2.6982 999.9900 1.3059 .5113 -.3060 .7062 .7036 .7047 .0309 52 ARG 52 -.5383 -1.1946 999.9900 .1593 .6728 -.1483 .7062 .7024 .7040 .0953 53 PHE 53 .0900 -.9296 999.9900 999.9900 .7573 -.0275 .7065 .7035 .7047 .2655 54 ARG 54 -.5383 -.5720 999.9900 .1593 .8581 .0133 .7066 .7023 .7041 .2108 55 LEU 55 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7060 .7027 .7041 -.8979 56 LYS 56 -2.5748 -2.4344 999.9900 -.4035 .7460 -1.0140 .7059 .7020 .7036 -.5232 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7069 .7047 .7056 -.3118 58 ARG 58 -2.9267 -2.8571 999.9900 .1593 .8581 -.9214 .7062 .7034 .7045 -.4568 59 LEU 59 -.4738 .4002 999.9900 999.9900 .9565 .2943 .7063 .7031 .7044 .4584 60 TYR 60 -.3370 -.7135 999.9900 999.9900 .5630 -.1625 .7065 .6510 .6742 .1740 61 PRO 61 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7059 .6132 .6518 -.1369 62 CYS 62 -1.4460 999.9900 .1296 999.9900 .9108 -.1352 .7057 .7027 .7040 .2006 63 ILE 63 -.1535 -.0414 999.9900 999.9900 1.0081 .2711 .7062 .7055 .7058 .4450 64 VAL 64 -.8680 999.9900 -1.0788 999.9900 .7810 -.3886 .7069 .6597 .6794 .0402 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7066 .6195 .6558 .5078 66 SER 66 .0184 999.9900 -.0289 999.9900 .6705 .2200 .7058 .7037 .7046 .4139 67 GLU 67 1.0761 -1.6501 999.9900 -1.0323 .6899 -.2291 .7054 .7032 .7041 .0820 68 LYS 68 -3.5196 -1.2879 999.9900 -.4035 .7460 -.9737 .7068 .7034 .7048 -.4940 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7057 .7051 .7054 .2921 70 GLU 70 -.4325 -1.5476 999.9900 1.7325 .6899 .1106 .7069 .7033 .7048 .3087 71 VAL 71 .4077 999.9900 .3968 999.9900 .7810 .5285 .7069 .7064 .7066 .5997 72 HIS 72 -.7615 -1.5062 999.9900 999.9900 .6686 -.5330 .7053 .7026 .7037 -.0382 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7063 .7056 .7059 -.0645 74 LYS 74 -.3223 .1621 999.9900 -.4035 .8827 -.0169 .7066 .7020 .7039 .1892 75 VAL 75 .3372 999.9900 -.2457 999.9900 .7810 .2908 .7065 .7061 .7063 .4570 76 LEU 76 -.7094 -1.3209 999.9900 999.9900 .8331 -.3991 .7065 .7028 .7044 .0424 77 MET 77 -.2651 -2.0676 999.9900 .9587 .5203 -.2134 .7068 .7032 .7047 .0927 78 GLY 78 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .7066 .7050 .7057 .0858 79 VAL 79 -.1473 999.9900 .8662 999.9900 .7810 .5000 .7061 .7051 .7055 .5822 80 THR 80 -.1761 999.9900 .0483 999.9900 .7246 .1989 .7066 .7065 .7065 .4020 81 SER 81 .0086 999.9900 .3727 999.9900 .6705 .3506 .7064 .7035 .7047 .4923 82 ASP 82 .3915 -1.1646 999.9900 999.9900 .8104 .0124 .7067 .7035 .7048 .2895 83 GLU 83 .5470 1.0212 999.9900 .3501 .6899 .6521 .7065 .7024 .7041 .6695 84 LEU 84 .2355 -2.9612 999.9900 999.9900 .8331 -.6308 .7067 .7031 .7046 -.0965 85 GLU 85 .6116 -.2533 999.9900 -1.0323 .3568 -.0793 .7065 .7037 .7049 .1822 86 ASN 86 1.0488 -.8859 999.9900 999.9900 .7518 .3049 .7041 .7033 .7036 .4644 87 LEU 87 .8182 .3561 999.9900 999.9900 .8331 .6692 .7061 .7029 .7042 .6833 88 ASP 88 1.1285 .1210 999.9900 999.9900 .8104 .6866 .7066 .7034 .7047 .6940 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7070 .7055 .7061 .3900 90 VAL 90 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .7065 .7062 .7063 .4322 91 GLU 91 -.1289 -.8493 999.9900 -1.0323 .6899 -.3302 .7056 .7021 .7036 .0145 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7067 .7054 .7060 .4734 93 ASN 93 1.1117 -1.4522 999.9900 999.9900 .7518 .1371 .7067 .7027 .7044 .3642 94 GLU 94 -2.3953 -2.8418 999.9900 .3501 .3568 -1.1326 .7061 .7035 .7046 -.5201 95 TYR 95 .0957 .5297 999.9900 999.9900 .5630 .3961 .7063 .7032 .7045 .5196 96 GLU 96 -.3633 .8332 999.9900 1.1588 .3568 .4964 .7066 .7033 .7047 .5659 97 ARG 97 -.4945 -1.8960 999.9900 .1593 .8581 -.2427 .7050 .7022 .7034 .0276 98 VAL 98 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .7064 .7053 .7058 .2112 99 THR 99 .0466 999.9900 -.8810 999.9900 .9813 .0490 .7068 .7062 .7065 .3120 100 VAL 100 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .7065 .7061 .7063 .0804 101 GLY 101 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .7068 .7052 .7059 .3211 102 ILE 102 -1.0140 -2.4201 999.9900 999.9900 1.0081 -.8086 .7067 .7055 .7060 -.2027 103 VAL 103 -1.1312 999.9900 .3968 999.9900 .7810 .0155 .7060 .7062 .7061 .2918 104 ARG 104 -1.0952 -2.0954 999.9900 .1593 .8581 -.4028 .7066 .7033 .7047 -.0863 105 GLU 105 -.5578 .5254 999.9900 -1.0323 .6899 -.0937 .7056 .7036 .7045 .1724 106 ASP 106 -1.1493 -2.4630 999.9900 999.9900 .7118 -.9668 .7062 .7041 .7050 -.2980 107 ASN 107 -.4092 .1986 999.9900 999.9900 .6279 .1391 .7060 .7028 .7041 .3652 108 SER 108 -1.2908 999.9900 -.7153 999.9900 .6705 -.4452 .7067 .7035 .7048 .0149 109 GLU 109 -1.0793 -.3402 999.9900 -1.0323 .6899 -.4405 .7068 .7026 .7044 -.0588 110 LYS 110 -.3350 -1.0793 999.9900 -.0397 .8827 -.1222 .7068 .7027 .7044 .1141 111 MET 111 -.4857 -2.5481 999.9900 .9587 .5203 -.3887 .7068 .7026 .7043 -.0242 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7067 .7052 .7058 .3112 113 VAL 113 -.7132 999.9900 -.5532 999.9900 .7810 -.1618 .7067 .7050 .7057 .1853 114 LYS 114 -.4232 -1.5918 999.9900 -.0397 .7460 -.2697 .7062 .7023 .7039 .0086 115 THR 115 -.8088 999.9900 -.8810 999.9900 .7246 -.3217 .7067 .7059 .7062 .0895 116 TYR 116 .4225 -2.9749 999.9900 999.9900 .8158 -.5789 .7059 .7027 .7041 -.0656 117 MET 117 -.5247 -1.5870 999.9900 .9587 .5203 -.1582 .7059 .7024 .7038 .1293 118 TRP 118 .0851 -3.3859 999.9900 999.9900 .9378 -.7876 .7064 .7039 .7049 -.1905 119 ILE 119 .6852 -1.6252 999.9900 999.9900 .6034 -.1122 .7070 .7059 .7064 .2153 120 ASN 120 .9310 -2.3357 999.9900 999.9900 .7518 -.2176 .7058 .7029 .7041 .1512 121 LYS 121 -1.8854 .1550 999.9900 -.4035 .8827 -.3309 .7064 .7025 .7041 -.0351 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7063 .7050 .7055 -.3269 123 ASP 123 .0214 -2.6388 999.9900 999.9900 .8104 -.6023 .7068 .6589 .6789 -.0882 124 PRO 124 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7064 .6110 .6507 .3082 125 ASP 125 .9921 -1.7105 999.9900 999.9900 .8104 .0307 .7068 .7041 .7052 .3006 126 MET 126 -1.5488 -1.0247 999.9900 .9587 .8447 -.1925 .7067 .7036 .7049 .1067 127 PHE 127 -.8947 .5389 999.9900 999.9900 .7573 .1338 .7056 .7027 .7040 .3620 128 GLY 128 -.9159 999.9900 999.9900 999.9900 .8277 -.0441 .7051 .7055 .7053 .3306 129 GLU 129 -.4325 -1.1358 999.9900 -1.0323 .6899 -.4777 .7068 .7025 .7043 -.0836 130 TRP 130 -.8485 .2071 999.9900 999.9900 .9378 .0988 .7066 .7038 .7049 .3413 131 ASN 131 -2.1824 -1.7113 999.9900 999.9900 .7518 -1.0473 .7068 .7025 .7043 -.3465 132 PHE 132 -.4427 .5510 999.9900 999.9900 .8629 .3237 .7059 .7029 .7042 .4760 133 GLU 133 .8604 -2.8418 999.9900 -1.0323 .3568 -.6643 .7060 .7027 .7041 -.2081 134 GLU 134 .6116 -.0968 999.9900 1.1588 .6899 .5909 .7057 .7030 .7041 .6287 135 TRP 135 .7294 -2.2136 999.9900 999.9900 .9378 -.1821 .7064 .7036 .7048 .1727 136 LYS 136 .7090 -2.9005 999.9900 -.4035 .7460 -.4505 .7065 .7032 .7046 -.1204 137 ARG 137 .6323 .1363 999.9900 .1593 .8581 .3891 .7058 .7025 .7039 .4791 138 LEU 138 -.2213 -1.5262 999.9900 999.9900 .8331 -.3048 .7058 .7034 .7044 .0990 139 HIS 139 -.4783 .7452 999.9900 999.9900 .6686 .3118 .7062 .7038 .7048 .4691 140 LYS 140 .6780 -.1697 999.9900 .4778 .8827 .4693 .7068 .7017 .7038 .5364 141 LYS 141 -.1232 -1.0793 999.9900 -.4035 .8827 -.2254 .7068 .7026 .7043 .0404 142 LYS 142 .9451 -.4366 999.9900 .2868 .7460 .3656 .7064 .7028 .7043 .4625 143 PHE 143 .0766 -4.3038 999.9900 999.9900 .7573 -1.1567 .7064 .7039 .7050 -.4119 144 ILE 144 .0556 -.2165 999.9900 999.9900 .6034 .1475 .7065 .7065 .7065 .3711 145 GLU 145 .0908 -1.7714 999.9900 -1.0323 .3568 -.5890 .7054 .7033 .7042 -.1579 146 THR 146 .1421 999.9900 -.8810 999.9900 .4476 -.0971 .7067 .7062 .7064 .2243 147 PHE 147 .7405 -3.0602 999.9900 999.9900 .7573 -.5208 .7056 .7029 .7040 -.0308 148 LYS 148 1.0429 -2.1617 999.9900 -.4035 .8827 -.2086 .7060 .7028 .7041 .0522 149 LYS 149 .6780 .3467 999.9900 1.2708 .8827 .8898 .7065 .7028 .7043 .8369 150 ILE 150 .6852 .8778 999.9900 999.9900 1.0081 .8571 .7069 .7057 .7062 .7968 151 MET 151 .1044 -1.7864 999.9900 .9587 .5203 -.0508 .7062 .7026 .7041 .2010 152 GLU 152 .6116 -2.8418 999.9900 1.1588 .6899 -.0954 .7064 .7031 .7045 .1713 153 CYS 153 .8160 999.9900 .1296 999.9900 .9108 .6188 .7052 .7029 .7039 .6529 154 LYS 154 .0419 -1.0793 999.9900 .8769 .8827 .3198 .7070 .7024 .7043 .4298 155 LYS 155 .3654 -2.4344 999.9900 .1731 .8827 -.1680 .7067 .7025 .7042 .0813 156 LYS 156 -2.2985 -.3555 999.9900 -.4035 .8827 -.5157 .7062 .6542 .6758 -.1740 157 PRO 157 -3.0630 999.9900 999.9900 999.9900 .4496 -1.3067 .7069 .6087 .6496 -.3244 158 GLN 158 -1.3658 -2.6982 999.9900 1.3059 .5113 -.5617 .7066 .7036 .7049 -.1394 159 GLY 159 -2.6716 999.9900 999.9900 999.9900 .8277 -.9219 .7066 .7043 .7053 -.1082 160 GLN 160 -.6665 -1.4944 999.9900 1.3059 .5113 -.0859 .7067 .7041 .7052 .1778 161 GLY 161 -.2180 999.9900 999.9900 999.9900 .7883 .2851 .7063 .7056 .7059 .4955 162 ASN 162 -1.4401 -3.3254 999.9900 999.9900 .8079 -1.3192 .7049 .7024 .7035 -.5100 163 ASP 163 -.4109 -2.3194 999.9900 999.9900 .8104 -.6400 .7068 .7046 .7055 -.1017 164 ASP 164 -.7969 -1.5469 999.9900 999.9900 .8104 -.5112 .7070 .7029 .7046 -.0247 165 ILE 165 -2.9731 -2.4201 999.9900 999.9900 .6034 -1.5966 .7067 .7063 .7065 -.6754 166 SER 166 -.4229 999.9900 -.7153 999.9900 .6705 -.1559 .7069 .7027 .7045 .1884 167 HIS 167 -1.3805 -3.1083 999.9900 999.9900 .6686 -1.2734 .7055 .7030 .7041 -.4823 168 VAL 168 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .7066 .7057 .7061 .2382 169 LEU 169 -3.7702 .2515 999.9900 999.9900 .9565 -.8541 .7064 .7028 .7043 -.2306 170 ARG 170 -.8053 -2.8571 999.9900 .1593 .8581 -.4971 .7067 .7031 .7046 -.1537 171 GLU 171 -1.0469 -1.5476 999.9900 -1.0323 .6899 -.7342 .7066 .7028 .7044 -.2546 172 ASP 172 -.9509 -.2224 999.9900 999.9900 .8104 -.1210 .7066 .7034 .7047 .2094 173 GLN 173 999.9900 -.7946 999.9900 1.3059 999.9900 .2556 .7067 .7025 .7043 .4801 Means: -.6318 -1.3792 -.2836 .1727 .7395 -.2441 .7063 .6980 .7015 .1142 2.00 analyzed_12