NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.5138 8.3293 120.8340 58.4459 33.8253 174.2365 4 P 3.7467 0.0000 0.0000 60.9407 30.1057 176.5196 5 D 4.6344 8.6100 117.7323 52.9345 42.4200 175.5118 6 S 4.6599 8.0008 118.1221 58.1294 62.5676 174.2151 7 S 4.5156 8.5041 116.8078 59.0311 63.8559 173.5288 8 E 4.6283 8.4093 120.7739 54.6934 32.8476 174.1167 9 E 4.7739 9.0181 126.9485 56.2574 30.7483 176.1595 10 V 4.4157 9.3088 124.6075 61.0774 34.3156 174.1100 11 V 4.7754 8.6371 128.1199 61.3458 32.8502 174.8384 12 G 4.2504 9.5631 115.2074 44.4233 0.0000 171.3868 13 V 4.7632 7.9715 119.5694 60.5043 33.6055 174.9884 14 S 4.3207 8.8569 122.9760 60.2937 62.5276 174.2845 15 G 3.9876 9.5478 115.5122 45.8125 0.0000 172.9546 16 K 4.8403 7.7093 118.5378 53.0803 35.9848 173.8933 17 P 5.0519 0.0000 0.0000 63.0353 32.3192 176.0555 18 V 4.4726 8.6140 121.1537 60.0000 34.9109 173.7679 19 Q 4.7645 8.6146 124.7062 54.2594 31.3649 174.8613 20 L 4.0823 8.4492 127.4381 53.8294 42.0381 175.1460 21 R 4.9919 8.4438 124.7146 53.9229 31.5349 173.8126 22 P 5.0590 0.0000 0.0000 61.8828 33.1010 175.1026 23 S 4.7235 8.2972 115.3727 57.8749 66.0704 173.6133 24 N 4.1616 8.7473 118.8706 54.3007 35.1291 173.1505 25 I 4.6591 7.0746 110.1230 58.9406 41.5575 174.9602 26 Q 4.4342 8.4854 122.2203 54.8730 29.9517 175.2564 27 T 4.2256 8.3064 113.4783 61.0786 70.3374 174.0119 28 K 4.3551 7.8139 121.5863 56.2129 34.1375 175.7596 29 D 4.2476 8.4302 121.0151 55.8157 38.3404 172.7199 30 V 4.7150 7.1172 109.1274 59.5260 36.4460 176.4101 31 S 4.4365 8.4963 115.6593 56.3875 66.1440 173.2529 32 V 4.6077 7.6498 120.1486 61.2434 34.9101 174.2904 33 Q 5.1206 8.7606 125.1546 54.0909 33.1233 173.8258 34 W 5.4201 9.0905 123.7494 54.9335 32.1814 175.0195 35 K 5.1443 9.2328 121.9808 55.8601 36.1549 174.4215 36 K 4.7264 9.1744 121.7596 54.8690 35.7651 174.7060 37 T 4.5402 8.5715 123.1665 61.7396 69.8300 174.3667 *44 K 4.1475 8.5313 126.9852 56.2055 33.1730 174.6275 45 I 4.5365 8.9597 127.2410 59.3010 39.2359 174.6505 46 E 4.5016 8.8969 125.5986 56.8125 29.8117 176.2153 47 I 4.6477 9.0435 124.0709 62.6264 39.7154 175.4073 48 L 4.9914 7.7630 121.8712 53.8559 45.5361 173.5315 49 N 5.5541 8.7107 121.4810 51.3454 42.8638 173.6728 50 W 5.3297 9.1005 131.2901 55.9568 32.6785 173.0669 51 Y 4.7374 8.5675 130.5095 57.3184 38.5717 178.1586 52 N 4.5160 9.2500 121.2216 55.9248 37.8892 175.2514 53 D 4.9170 8.2733 118.6703 52.5433 39.8312 176.8056 54 G 3.9477 8.0867 103.7073 45.5186 0.0000 171.9703 55 P 4.7622 0.0000 0.0000 62.0515 32.1630 175.9076 56 S 4.3949 7.5988 113.3037 56.4819 66.3260 173.3404 57 W 4.9710 8.3754 122.4814 57.3571 29.2011 176.5488 58 S 4.5062 9.5356 119.3389 59.9163 63.2449 174.0883 59 N 4.6420 7.6701 118.8094 51.3040 41.8837 174.7661 60 V 3.6113 8.6393 125.7917 65.1222 31.6161 178.5694 61 S 4.2237 9.6142 116.7522 60.6730 62.7056 176.1913 62 F 4.3231 8.1465 122.1582 60.4404 38.3048 177.4711 63 S 3.7405 7.1132 111.6029 60.8360 62.6789 175.6416 64 D 4.4577 7.7235 121.5522 56.0658 41.1773 177.9893 65 I 3.7747 7.1231 119.4456 61.6747 37.6156 174.8388 66 Y 5.2513 7.0764 115.4072 55.9452 41.2797 175.4242 67 G 4.5524 8.9146 107.7410 44.8446 0.0000 171.9058 68 F 5.5137 8.7532 121.7659 56.9665 42.7894 172.7198 69 D 4.6105 8.5707 126.7885 53.1380 41.6982 176.8642 70 Y 4.1530 8.9292 124.6892 61.0177 38.4599 177.7666 71 G 3.7946 8.4829 108.7375 48.0905 0.0000 174.0279 72 D 4.4870 7.8009 115.3189 51.7986 40.1026 175.8108 73 F 4.2005 8.4691 115.1433 58.3821 37.4997 174.9759 74 A 4.7245 7.9919 123.6572 51.8718 19.3319 176.7383 75 L 4.6587 8.1794 124.9494 53.8193 43.4509 175.4965 76 S 5.0128 8.5876 122.7902 57.3782 65.5866 173.2087 77 I 4.6338 8.5520 123.8199 59.5555 38.6212 176.9382 78 K 3.9975 8.6395 127.7130 59.1480 32.8137 177.6087 79 S 4.4974 7.6625 115.1714 56.8060 65.0034 173.3853 80 A 4.4687 9.2468 130.4625 51.9475 19.6182 176.1614 81 K 4.7716 8.9927 118.4923 54.3414 36.7986 177.6243 82 L 3.9655 8.7833 122.0944 58.0915 41.7598 179.8353 83 Q 4.0815 8.1824 115.0380 59.2347 28.4134 177.6901 84 D 4.5785 8.1161 117.9534 56.9284 41.0586 177.2825 85 S 4.3850 7.7151 114.1518 58.9195 63.4972 175.0273 86 G 3.9762 7.6963 109.7919 44.5833 0.0000 170.4060 87 H 5.3865 8.3653 120.0104 55.0189 31.4975 173.9856 88 Y 5.2625 9.2993 123.3907 56.1404 41.6169 174.3630 89 L 5.1700 9.5113 124.1911 53.2561 45.7078 174.7622 90 L 4.1030 8.8105 128.7517 53.3623 43.8243 174.7949 91 E 4.9326 9.0473 127.7583 54.9897 31.2075 175.1632 92 I 4.8297 8.6399 126.8282 59.6819 39.6888 174.7171 93 T 5.0774 8.6496 122.1943 60.2790 70.2137 173.2056 94 N 5.3104 8.4788 126.4251 51.1560 40.3806 175.5187 95 T 4.0242 8.5954 107.3718 63.2248 68.6328 174.9201 96 G 3.7116 8.4046 110.9053 45.5877 0.0000 175.1392 97 G 3.8533 8.2525 108.2940 45.1999 0.0000 173.4758 98 K 4.3868 7.8769 120.4594 55.5065 33.2260 176.2082 99 V 4.5214 8.3652 125.5227 60.9037 33.1165 174.8614 100 C 4.6621 9.7168 125.7739 57.7997 33.4948 171.7818 101 N 5.2113 8.7502 123.7695 51.6130 40.1977 174.5596 102 K 4.2975 8.9638 124.4922 54.7169 33.5002 175.0905 103 N 5.2425 8.3140 123.0052 52.5874 40.4706 174.5233 104 F 5.2011 9.4074 120.4875 55.8495 43.9256 173.5379 105 Q 5.0786 9.5186 124.5813 54.4814 31.3058 173.7113 106 L 5.0657 9.1818 130.1580 53.6973 44.0649 174.7222 107 L 5.1067 9.2307 128.6281 53.3496 44.7354 174.7250 108 I 4.9031 8.6917 127.5107 59.5837 39.3458 174.9497 109 L 4.7079 8.5263 127.0580 53.4016 44.1220 176.6916 110 D 4.6477 8.2440 122.2795 53.9589 40.3630 176.7452 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 3 C 8.33 4.51 0.00 2.93 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 4 P 0.00 3.75 0.00 2.25 1.96 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 5 D 8.61 4.63 0.00 2.84 2.75 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 6 S 8.00 4.66 0.00 3.96 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.52 0.00 3.79 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 8 E 8.41 4.63 0.00 1.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 9 E 9.02 4.77 0.00 1.94 1.93 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 2.38 2.30 0.00 10 V 9.31 4.42 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 0.89 0.00 0.00 1.14 0.00 0.00 11 V 8.64 4.78 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.01 0.00 0.00 12 G 9.56 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 0.00 0.00 0.00 0.00 13 V 7.97 4.76 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 0.95 0.00 0.00 0.93 0.00 0.00 14 S 8.86 4.32 0.00 3.96 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 15 G 9.55 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 0.00 0.00 0.00 16 K 7.71 4.84 0.00 1.82 1.65 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.47 7.81 17 P 0.00 5.05 0.00 2.04 2.11 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 18 V 8.61 4.47 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.87 0.00 0.00 19 Q 8.61 4.76 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.15 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 20 L 8.45 4.08 0.00 0.87 0.13 0.05 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.44 4.99 0.00 1.86 1.91 0.00 3.25 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 22 P 0.00 5.06 0.00 2.36 2.36 0.00 4.00 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 23 S 8.30 4.72 0.00 3.86 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 24 N 8.75 4.16 0.00 2.85 2.83 0.00 0.00 6.72 7.45 0.00 0.00 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 I 7.07 4.66 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.94 0.00 0.00 26 Q 8.49 4.43 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 27 T 8.31 4.23 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28 K 7.81 4.36 0.00 1.71 1.72 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 29 D 8.43 4.25 0.00 2.70 2.61 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 30 V 7.12 4.72 1.98 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 0.81 0.00 0.00 0.99 0.00 0.00 31 S 8.50 4.44 0.00 2.72 3.32 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 0.00 32 V 7.65 4.61 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 33 Q 8.76 5.12 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 34 W 9.09 5.42 0.00 3.18 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.23 5.14 0.00 1.96 1.95 0.00 1.29 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 36 K 9.17 4.73 0.00 1.28 1.42 0.00 1.22 0.00 0.00 1.45 0.00 0.00 2.63 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.90 0.21 7.81 37 T 8.57 4.54 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 1.23 0.00 0.00 *44 K 8.53 4.15 0.00 1.76 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 45 I 8.96 4.54 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 1.08 0.00 0.00 46 E 8.90 4.50 0.00 1.95 1.98 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 2.37 2.33 0.00 47 I 9.04 4.65 2.02 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 0.42 0.67 0.46 0.00 0.00 48 L 7.76 4.99 0.00 1.51 1.36 -0.75 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.71 5.55 0.00 2.70 2.87 0.00 0.00 6.32 7.41 0.00 0.00 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 W 9.10 5.33 0.00 2.99 2.61 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 51 Y 8.57 4.74 0.00 3.08 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.25 4.52 0.00 2.88 3.02 0.00 0.00 5.66 8.06 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 53 D 8.27 4.92 0.00 2.78 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 54 G 8.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.76 0.00 1.23 0.86 0.00 2.65 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.00 56 S 7.60 4.39 0.00 3.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.38 4.97 0.00 3.28 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.54 4.51 0.00 4.15 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 59 N 7.67 4.64 0.00 1.68 1.42 0.00 0.00 6.91 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.64 3.61 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 61 S 9.61 4.22 0.00 3.88 4.11 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 62 F 8.15 4.32 0.00 3.01 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.11 3.74 0.00 4.15 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 64 D 7.72 4.46 0.00 2.73 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 65 I 7.12 3.77 1.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 -0.08 0.00 0.00 66 Y 7.08 5.25 0.00 1.87 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 5.51 0.00 3.00 2.94 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 69 D 8.57 4.61 0.00 2.74 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 70 Y 8.93 4.15 0.00 2.90 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 3.79 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 0.00 0.00 0.00 72 D 7.80 4.49 0.00 2.67 2.64 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 73 F 8.47 4.20 0.00 3.43 3.49 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 74 A 7.99 4.72 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 4.66 0.00 0.27 0.13 0.67 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.59 5.01 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 4.63 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.81 0.00 0.00 78 K 8.64 4.00 0.00 1.54 1.80 0.00 1.63 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.31 7.81 79 S 7.66 4.50 0.00 3.79 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 9.25 4.47 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.99 4.77 0.00 1.65 1.63 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.34 7.81 82 L 8.78 3.97 0.00 1.75 1.74 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.18 4.08 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 84 D 8.12 4.58 0.00 2.92 2.86 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 0.00 0.00 0.00 85 S 7.72 4.38 0.00 4.05 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 86 G 7.70 3.98 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 0.00 0.00 0.00 87 H 8.37 5.39 0.00 3.43 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 9.30 5.26 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.51 5.17 0.00 1.71 1.53 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.81 4.10 0.00 0.79 1.17 0.99 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.05 4.93 0.00 1.83 1.81 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 2.42 2.22 0.00 92 I 8.64 4.83 1.87 0.00 0.00 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 1.23 0.90 0.95 0.00 0.00 93 T 8.65 5.08 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 94 N 8.48 5.31 0.00 2.85 2.91 0.00 0.00 6.46 7.37 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 95 T 8.60 4.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 96 G 8.40 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.88 4.39 0.00 1.86 1.74 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.42 7.81 99 V 8.37 4.52 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 0.66 0.00 0.00 0.91 0.00 0.00 100 C 9.72 4.66 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.75 5.21 0.00 2.60 2.70 0.00 0.00 7.01 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 0.00 102 K 8.96 4.30 0.00 1.58 1.60 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.55 7.81 103 N 8.31 5.24 0.00 2.62 2.85 0.00 0.00 6.79 8.13 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 0.00 104 F 9.41 5.20 0.00 3.06 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 0.00 105 Q 9.52 5.08 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 106 L 9.18 5.07 0.00 1.89 1.77 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.23 5.11 0.00 1.77 1.51 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.69 4.90 1.89 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 1.26 1.17 0.93 0.00 0.00 109 L 8.53 4.71 0.00 1.76 1.56 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.24 4.65 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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.