NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3714 8.1832 118.6250 53.9405 39.6768 175.0493 2 L 4.1939 8.5517 127.3602 57.5973 41.9369 177.8612 3 L 4.1380 9.2785 120.3043 58.0849 41.8342 179.5742 4 Q 4.1102 9.3683 118.7889 58.8580 28.7889 178.0776 5 F 4.4675 8.3261 121.1757 61.4920 39.1062 176.6120 6 N 4.1160 8.4785 115.7606 56.0989 38.7265 176.9440 7 K 4.0917 7.5824 119.8262 59.7861 32.2883 178.4325 8 M 4.0634 8.2218 119.1182 58.8937 31.9825 178.9216 9 I 3.5532 8.0572 119.9021 64.1786 37.1455 178.4198 10 K 3.9730 7.8145 120.3486 59.1455 31.7916 178.4042 *12 E 4.3497 7.9797 116.8814 56.3355 31.5281 176.9362 13 E 4.1064 8.5910 118.1511 58.7626 29.6290 177.7597 14 T 4.2274 7.7629 106.2174 60.7922 70.1584 175.6141 15 G 3.8969 8.2250 110.0528 44.9511 0.0000 173.2556 16 K 4.3885 7.3439 117.7319 54.2602 35.0968 176.1247 17 N 4.4278 8.6477 118.6029 53.0535 38.4749 174.3542 18 A 3.9808 8.2649 123.2438 56.0881 18.8736 177.2739 19 I 4.0139 7.5103 116.1698 60.3851 37.8712 174.5442 20 P 4.5338 0.0000 0.0000 63.0274 32.5850 177.3768 21 F 4.4732 7.5405 116.9565 59.7065 38.6986 175.6479 22 Y 4.3510 8.9120 114.2786 57.3620 39.4289 176.5352 23 A 4.1621 7.8290 122.2258 54.0974 19.2667 177.7353 24 F 5.3970 8.1706 114.2307 55.5423 39.5518 172.5251 25 Y 4.8975 8.6149 123.3139 56.6533 42.9622 175.7702 26 G 3.6070 7.8084 114.7571 46.6599 0.0000 172.8680 27 C 4.6522 10.2365 115.1601 57.2288 41.9405 175.1345 28 Y 4.4588 8.4914 116.3800 59.5239 38.9433 175.6989 29 C 4.8985 8.2993 118.3802 56.5794 38.5298 173.6219 30 G 4.2232 8.2437 118.6907 44.7363 0.0000 172.8176 31 G 3.7475 8.8755 115.4704 46.0724 0.0000 172.3369 32 G 4.0539 8.4970 107.4680 46.5222 0.0000 175.0718 33 G 4.2809 7.7783 117.0188 43.4107 0.0000 175.0638 34 N 4.4075 8.5881 123.9129 52.4641 39.7547 174.3557 35 G 4.1214 7.5501 104.7752 44.3685 0.0000 176.0733 36 K 4.6393 8.4330 126.2250 53.0525 34.0576 172.8282 37 P 4.5410 0.0000 0.0000 62.8380 31.2070 176.6918 38 K 3.4846 8.6867 125.9258 58.9632 32.4106 175.6258 39 D 4.5572 7.5088 115.1072 52.4688 43.8641 176.2251 40 G 3.6410 8.6456 104.4639 48.8763 0.0000 175.6185 41 T 4.1248 8.1270 118.3822 66.5797 68.6341 175.9742 42 D 4.7190 9.6635 120.1514 57.4563 41.1238 178.6955 43 R 4.0606 8.1722 118.7630 59.4435 30.0597 177.8790 44 C 4.0340 8.2887 116.4210 60.5160 35.3959 175.8646 45 C 4.4441 8.3270 117.5429 60.1059 36.8743 175.5145 46 F 4.4296 8.2033 123.4703 60.7047 38.6732 177.1711 47 V 3.0773 8.2402 117.6129 66.3259 31.2250 177.3705 48 H 3.6576 8.3205 118.0436 59.1855 29.5215 176.8555 49 D 4.1555 8.3867 120.8469 57.5475 40.6590 177.7971 50 C 3.8975 7.8847 117.2390 60.6154 35.1620 174.9750 51 C 3.9820 8.5195 120.1098 60.3425 41.3816 175.0815 52 Y 4.1496 8.4507 118.3107 60.2145 37.3050 179.1948 53 G 3.5018 7.9471 106.8789 47.7599 0.0000 175.4338 54 R 4.0774 7.4191 120.3711 58.3539 31.2756 178.7939 55 L 4.3219 7.0089 115.2733 54.0436 40.0642 177.7363 56 V 3.6310 7.8230 116.1506 64.5626 32.2820 178.8119 *59 N 4.8597 7.9907 113.5076 52.7533 39.1995 175.3373 *61 C 4.2595 7.6791 115.0327 56.5471 42.2997 173.0196 *67 N 5.0039 8.4698 119.8144 53.1511 39.0419 175.0812 68 T 3.5435 7.5050 109.3432 64.0528 69.4287 175.8494 69 K 4.2957 7.9825 121.0434 57.8223 32.8565 177.9148 70 S 4.4293 7.9171 110.4123 58.2438 63.7296 172.8219 71 D 4.3437 7.9225 119.2021 54.3061 40.5381 175.7033 72 I 3.8695 8.2784 128.7692 61.3215 37.6714 175.2129 73 Y 5.0779 7.4140 122.3521 55.0711 40.7716 174.3849 74 S 5.1126 8.6456 114.1002 57.4378 66.5444 173.0397 75 Y 5.2752 8.3694 120.4081 56.2582 40.8640 173.1636 76 S 4.5052 9.0043 114.7845 56.4933 67.4320 172.3678 77 L 4.9240 8.4054 120.4257 53.3666 43.6159 175.0437 78 K 4.5881 8.7120 126.8948 55.6456 34.4875 175.7004 79 E 3.9345 9.9795 122.7181 57.4057 27.2017 175.7437 80 G 3.8059 8.4874 103.2422 45.9311 0.0000 173.4509 81 Y 4.7661 8.4986 118.0591 55.8701 40.2513 174.6882 82 I 4.8970 8.4291 124.9767 60.8754 38.7916 175.2375 83 T 4.7082 8.6017 122.5929 61.9510 71.4637 172.9504 84 C 5.0167 9.0628 123.8290 56.6328 41.6213 172.9460 85 G 4.2007 9.2653 109.9367 43.8108 0.0000 172.4655 86 K 4.2982 8.0132 118.7529 55.8034 32.5357 175.7859 *88 G 4.5296 8.2780 106.1825 45.7813 0.0000 172.9940 89 T 4.0346 8.0476 109.7922 61.2867 70.5341 174.4060 90 N 4.0821 8.7063 122.6088 57.3706 38.8442 177.2057 91 C 4.1926 8.3014 117.0236 60.3895 38.5514 176.0280 92 E 4.1474 8.0827 119.5114 59.4036 28.6141 179.2610 93 E 3.8003 8.3796 117.8367 59.5160 29.2725 179.0916 94 Q 3.8971 8.4347 118.7523 58.6538 29.1514 178.5383 95 I 3.6401 8.4255 121.6373 64.6577 37.1520 177.5025 96 C 2.7117 8.1578 119.8911 59.4734 37.4597 175.6097 97 E 3.6576 8.1054 119.9007 59.2765 29.1122 178.6796 98 C 4.2312 7.9532 116.9141 59.9250 41.3691 175.6819 99 D 3.3700 7.5610 119.9389 56.4271 40.5589 178.7024 100 R 3.7995 7.8845 119.5134 59.4231 30.0801 178.8131 101 V 3.5249 7.5194 117.3884 65.6921 31.4220 177.8290 102 A 3.5790 7.3673 119.1662 54.9247 18.1072 179.1846 103 A 3.9020 8.0006 119.2683 55.6106 18.0015 179.6100 104 E 3.9058 8.5862 117.6325 59.0592 29.5707 178.3154 105 C 4.1927 8.0470 119.3430 59.5920 43.5090 175.3602 106 F 4.4157 7.5754 118.4699 60.7895 38.5476 177.4092 107 R 4.0382 7.6382 116.9996 59.3977 29.8804 178.4655 108 R 4.1558 7.5576 116.5425 57.7208 30.6668 176.7746 109 N 5.1180 7.9592 116.2302 52.7476 39.3243 176.0510 110 L 4.3035 8.0137 120.3744 57.6593 42.4865 179.2572 111 D 4.7011 8.1741 113.7504 55.1099 39.0446 176.4502 112 T 4.4906 7.5972 114.5059 63.3223 69.9076 173.0340 113 Y 3.9985 8.8711 125.9207 57.5814 38.8979 174.6765 114 N 4.3313 9.8383 128.4946 52.1338 38.2438 174.9559 115 N 4.4032 8.7127 124.8502 56.2533 38.8498 177.6745 116 G 3.7826 7.9397 104.7701 47.4752 0.0000 173.5330 117 Y 4.3967 7.8868 117.7158 58.6007 38.3099 175.2364 118 M 4.0982 7.5065 121.2437 56.2865 32.7822 175.9749 119 F 3.9253 9.0132 122.9220 58.2811 37.3923 174.6427 120 Y 3.8660 7.3866 120.6208 57.5132 38.8728 176.4267 121 R 3.8475 8.1269 126.5173 56.7007 30.5569 177.5279 122 D 4.4428 8.5335 121.7866 56.8609 41.3225 178.3699 *124 S 4.3857 8.0179 114.2268 58.5673 64.4778 175.1070 125 K 4.1311 7.4863 115.9018 57.9531 31.6886 176.3027 126 C 5.5000 7.5111 115.7585 56.8531 40.5291 175.1815 127 T 4.2679 7.6609 118.4418 62.2557 66.9316 173.9914 128 E 4.6235 7.7472 121.7364 55.1692 31.9036 175.7296 129 T 3.9975 8.5159 117.0173 63.8318 68.2999 174.3810 130 S 4.4305 8.6887 122.6422 58.6994 63.7134 174.4056 131 E 4.2131 9.0998 124.5728 56.3093 30.6671 175.0155 132 E 4.7903 8.3828 122.3008 54.0516 31.5436 176.3297 133 C 4.5508 9.0046 122.9331 57.4832 41.2748 173.4816 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 N 8.18 5.37 0.00 2.84 2.87 0.00 0.00 7.06 5.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.55 4.19 0.00 1.92 1.84 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.28 4.14 0.00 1.97 1.76 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.37 4.11 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 5 F 8.33 4.47 0.00 3.32 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.48 4.12 0.00 2.89 2.85 0.00 0.00 6.99 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.58 4.09 0.00 2.01 2.04 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 8 M 8.22 4.06 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 9 I 8.06 3.55 1.74 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.24 0.45 0.00 0.00 10 K 7.81 3.97 0.00 1.87 1.96 0.00 1.42 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 *12 E 7.98 4.35 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 13 E 8.59 4.11 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 14 T 7.76 4.23 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 15 G 8.22 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.34 4.39 0.00 0.79 1.06 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.32 7.81 17 N 8.65 4.43 0.00 3.06 2.85 0.00 0.00 6.93 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.26 3.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.51 4.01 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.30 0.86 0.00 0.00 20 P 0.00 4.53 0.00 2.11 2.40 0.00 3.02 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.82 0.00 21 F 7.54 4.47 0.00 3.09 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.91 4.35 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.83 4.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.17 5.40 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.61 4.90 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 10.24 4.65 0.00 2.39 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.49 4.46 0.00 3.29 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.30 4.90 0.00 3.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.50 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.78 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.59 4.41 0.00 2.94 2.96 0.00 0.00 6.04 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.55 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.43 4.64 0.00 1.64 1.60 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.37 7.81 37 P 0.00 4.54 0.00 2.26 2.19 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 38 K 8.69 3.48 0.00 1.29 1.21 0.00 1.02 0.00 0.00 1.29 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 D 7.51 4.56 0.00 2.95 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.65 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.13 4.12 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 42 D 9.66 4.72 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.17 4.06 0.00 2.23 2.07 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 44 C 8.29 4.03 0.00 3.32 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.33 4.44 0.00 3.44 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.20 4.43 0.00 1.91 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.24 3.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.04 0.00 0.00 48 H 8.32 3.66 0.00 3.11 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.39 4.16 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.88 3.90 0.00 2.65 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.52 3.98 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.45 4.15 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.95 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.42 4.08 0.00 1.69 2.00 0.00 3.30 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 55 L 7.01 4.32 0.00 1.77 1.56 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.82 3.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.07 0.00 0.00 *59 N 7.99 4.86 0.00 2.83 2.97 0.00 0.00 6.39 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 C 7.68 4.26 0.00 2.92 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 8.47 5.00 0.00 2.80 2.74 0.00 0.00 7.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.51 3.54 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 69 K 7.98 4.30 0.00 1.87 1.93 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.56 7.81 70 S 7.92 4.43 0.00 3.82 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.92 4.34 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.28 3.87 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.85 0.00 0.00 73 Y 7.41 5.08 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.65 5.11 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.37 5.28 0.00 3.22 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.00 4.51 0.00 3.82 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.41 4.92 0.00 1.65 1.60 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.71 4.59 0.00 1.85 1.66 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 79 E 9.98 3.93 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 80 G 8.49 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.50 4.77 0.00 3.15 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.43 4.90 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.63 1.09 0.00 0.00 83 T 8.60 4.71 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 84 C 9.06 5.02 0.00 2.84 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.27 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.01 4.30 0.00 1.79 1.82 0.00 1.99 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.37 7.81 *88 G 8.28 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.05 4.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 90 N 8.71 4.08 0.00 2.75 2.86 0.00 0.00 7.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.30 4.19 0.00 2.98 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.08 4.15 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 93 E 8.38 3.80 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 94 Q 8.43 3.90 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 95 I 8.43 3.64 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.94 0.91 0.00 0.00 96 C 8.16 2.71 0.00 1.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.11 3.66 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 98 C 7.95 4.23 0.00 3.32 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.56 3.37 0.00 2.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.88 3.80 0.00 1.92 1.83 0.00 3.38 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 101 V 7.52 3.52 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.88 0.00 0.00 102 A 7.37 3.58 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.00 3.90 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.59 3.91 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 105 C 8.05 4.19 0.00 2.99 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 7.58 4.42 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.64 4.04 0.00 1.87 2.11 0.00 3.28 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 108 R 7.56 4.16 0.00 2.11 1.99 0.00 3.35 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 109 N 7.96 5.12 0.00 2.87 2.91 0.00 0.00 7.03 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.01 4.30 0.00 1.73 1.70 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.17 4.70 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.60 4.49 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 113 Y 8.87 4.00 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.84 4.33 0.00 1.90 2.05 0.00 0.00 6.77 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.71 4.40 0.00 2.93 2.92 0.00 0.00 6.94 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.89 4.40 0.00 2.30 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.51 4.10 0.00 1.68 1.87 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.10 0.00 119 F 9.01 3.93 0.00 3.13 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.39 3.87 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.13 3.85 0.00 1.57 1.74 0.00 3.04 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 122 D 8.53 4.44 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 S 8.02 4.39 0.00 3.77 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.49 4.13 0.00 1.29 1.61 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.29 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.07 1.06 7.81 126 C 7.51 5.50 0.00 3.22 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.66 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 128 E 7.75 4.62 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 129 T 8.52 4.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 130 S 8.69 4.43 0.00 3.85 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 9.10 4.21 0.00 1.85 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 132 E 8.38 4.79 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 133 C 9.00 4.55 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.