NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 S 4.3949 8.1776 115.2807 57.4660 63.4285 174.3223 58 P 4.2237 0.0000 0.0000 63.8204 31.5286 175.2442 59 G 4.2156 8.6287 108.6602 45.4596 0.0000 173.7217 60 I 4.9403 7.3705 121.6262 59.9381 38.7754 175.0270 61 W 5.3616 9.2297 124.8233 55.1012 34.0330 173.9921 62 Q 5.3975 9.0538 121.5973 54.2732 30.8676 174.6844 63 L 5.3495 7.9878 124.0460 53.3704 44.5734 175.4463 64 D 4.6052 8.7481 118.3264 54.0043 45.3964 173.9478 65 C 5.2040 9.0206 121.3287 58.4982 30.0587 173.0043 66 T 4.7335 8.9934 117.6787 60.5302 70.8200 171.9828 67 H 5.4951 8.6810 121.6952 54.1442 32.0218 173.5095 68 L 4.4466 8.8992 122.5824 55.2397 45.2185 175.3580 69 E 3.9202 9.8752 124.7659 57.4928 27.1272 175.0839 70 G 3.9358 8.4899 102.3969 46.2497 0.0000 174.1418 71 K 4.6228 8.1529 118.4038 54.0589 35.5210 175.0320 72 V 4.6359 8.1007 120.3800 61.5128 33.5765 174.2487 73 I 4.6926 8.8810 129.4799 59.5861 39.5344 174.5032 74 L 4.6073 9.2753 131.5981 53.7460 42.9810 175.0474 75 V 4.7842 8.7324 127.4925 61.3295 33.8340 174.3622 76 A 5.4680 9.3192 128.6795 50.2423 22.4284 174.9265 77 V 4.5668 9.0534 122.3521 61.1617 34.8690 174.1727 78 H 3.0628 8.7486 128.8811 54.9085 29.2187 175.2272 79 V 3.3822 7.3236 126.6296 66.2487 31.2042 177.4407 80 A 3.9935 7.5579 121.7199 54.8677 18.5166 178.3579 81 S 4.2340 7.7588 108.6587 59.4698 63.8555 175.3389 82 G 3.9661 8.2770 107.8870 44.5652 0.0000 173.0811 83 Y 4.3264 7.7804 121.7954 57.8929 39.8965 174.8782 84 I 5.1869 7.5398 117.4401 59.3470 41.6847 174.3019 85 E 4.8021 9.3558 120.7721 54.9352 33.4909 174.7539 86 A 5.3464 8.5429 125.2287 50.4805 22.7705 174.7580 87 E 4.6242 8.3318 117.0267 55.2448 33.9181 174.7239 88 V 4.5029 8.6361 127.9572 62.7917 32.2291 174.9573 89 I 4.6557 8.6241 121.7711 58.3473 39.8053 173.8478 90 P 4.3022 0.0000 0.0000 65.4283 30.9824 176.0969 91 A 4.7232 7.4763 119.5667 49.5172 22.4404 175.8604 92 E 4.2317 8.4096 122.1231 54.9938 28.3516 174.7925 93 T 4.7784 7.1787 113.1646 58.8047 73.8051 174.9524 94 G 3.5254 8.3698 106.5066 47.8315 0.0000 175.5039 95 Q 3.8812 8.1262 119.8086 59.4636 28.3375 178.9085 96 E 4.1312 7.7083 119.4753 59.1676 29.3824 179.3260 97 T 3.9133 7.6496 114.4674 67.0861 68.7341 175.8475 98 A 3.9887 9.0011 123.1595 55.0353 17.7659 178.7792 99 Y 4.2094 8.3536 115.2642 60.6772 39.2302 179.1629 100 F 4.0771 8.3645 121.1339 61.1790 39.4606 176.7712 101 L 3.8494 8.2835 120.1958 58.2481 41.6704 179.0278 102 L 4.0095 7.7124 117.2597 57.3448 41.9044 179.2420 103 K 3.9141 7.3223 117.5891 59.0413 32.0266 179.0835 104 L 3.7083 7.2968 120.2420 57.9953 41.8212 178.6214 105 A 4.1808 8.0181 118.6501 53.7090 18.3634 178.6802 106 G 3.7902 7.6044 103.1214 45.1407 0.0000 174.6429 107 R 4.2178 7.6819 115.4401 55.5531 31.4843 176.1038 108 W 4.9792 7.5914 117.2743 53.9023 31.8018 174.3962 109 P 4.5541 0.0000 0.0000 62.2511 29.3990 175.1885 110 V 4.1511 7.8642 125.2979 62.8623 32.6414 175.1355 111 K 4.5759 9.2507 123.9419 57.7401 35.3938 176.3092 112 T 4.8977 7.9462 114.8769 61.6211 72.7846 173.4141 113 V 4.8344 8.3019 123.7647 61.6485 34.9073 174.0989 114 H 4.9729 10.0604 128.0589 55.0521 29.6687 174.6747 115 T 4.6451 7.9706 113.0670 59.6524 72.5422 172.9410 116 D 5.0459 7.8374 120.5322 52.6792 41.7905 176.2128 117 N 5.0254 8.7870 119.1415 53.7202 38.9019 175.5278 118 G 3.9979 9.3484 108.6424 45.9168 0.0000 175.3709 119 S 4.1754 8.7650 116.7521 60.4739 62.5217 174.9691 120 N 4.5038 7.8528 116.0141 54.4056 37.8136 176.1386 121 F 4.6324 7.8619 117.0184 59.2614 39.3550 176.3489 122 T 4.5477 7.9594 108.8097 61.3418 69.1714 175.3918 123 S 4.4139 7.6965 118.1307 58.6147 65.3835 174.9211 124 T 3.8939 8.2728 113.1259 64.5696 68.7477 176.8620 125 T 3.7959 7.7619 116.0775 65.2150 67.6040 176.1117 126 V 3.7433 7.6321 119.9706 65.5501 31.5022 177.9494 127 K 4.0990 8.1769 120.6738 58.9198 32.1415 178.7399 128 A 4.1667 8.2657 120.6602 54.5358 18.1086 179.4524 129 A 4.1123 7.5375 118.5806 55.4132 18.5112 179.6407 130 C 4.1923 8.0497 114.9234 62.6081 28.2867 176.0739 131 W 4.5921 8.3395 120.6731 59.8157 28.5214 178.1873 132 W 4.0276 8.2659 126.1633 60.5072 30.3485 177.2868 133 A 4.3647 8.6627 117.7032 51.6917 19.0323 176.7299 134 G 3.7842 7.9008 104.4282 46.8853 0.0000 174.1697 135 I 4.7724 8.0565 118.0999 59.0546 40.5950 177.1778 136 K 4.2989 9.8846 129.1773 56.1385 33.7642 175.5118 137 Q 4.4386 8.7304 125.7759 54.4980 30.9490 174.0090 138 E 4.5785 8.1217 124.8534 54.6966 31.8017 175.6212 139 F 4.9025 8.8233 123.8633 55.0864 38.7442 174.7912 *150 L 4.2821 8.2168 125.0088 54.7674 44.0517 178.8569 151 I 3.6381 7.5878 117.5968 63.7860 38.0038 177.0162 152 E 3.8930 8.1986 119.8664 59.6330 29.2953 179.0760 153 S 4.1950 7.9530 114.3143 61.7432 63.0405 176.0059 154 M 3.9226 8.1755 121.8475 58.7814 31.7640 178.4204 155 N 4.2587 8.6527 116.4604 56.4806 38.5353 177.3720 156 K 3.9779 7.3519 118.3842 59.2044 32.5980 178.2931 157 E 4.0401 8.2996 119.8720 59.1965 29.7181 178.3485 158 L 3.9336 8.3943 120.6673 58.3906 41.6519 179.2260 159 K 4.0567 8.1704 118.0921 59.0537 31.6609 179.3365 160 K 3.9909 7.6015 119.1470 59.4812 32.4234 178.7059 161 I 3.9170 7.6753 119.6985 64.3909 37.3184 178.1201 162 I 3.8566 7.8444 120.6938 64.4043 36.6241 178.5747 163 G 3.6796 7.6436 105.1832 47.5496 0.0000 175.6957 164 Q 4.1979 8.0362 119.5791 57.8499 29.0355 177.9243 165 V 4.3010 7.5039 110.3739 60.5366 32.6381 177.0409 166 R 3.9041 7.8483 120.1653 59.8421 29.6326 177.8062 167 D 4.4817 7.9943 116.2577 55.8698 39.6071 177.3648 168 Q 4.2730 8.1464 117.8389 55.6661 29.1296 175.3329 169 A 4.6790 7.0902 122.1520 50.4608 22.5411 176.3532 170 E 3.9650 8.8068 122.0085 59.2336 29.7950 177.3368 171 H 4.8865 7.6180 115.7695 54.2189 31.7568 175.9813 172 L 4.0003 8.5463 125.0920 58.7071 41.8414 178.3508 173 K 3.7151 8.3907 116.9366 61.2072 31.9508 177.8858 174 T 3.9828 7.8858 109.8735 64.4773 69.1375 176.4221 175 A 3.9758 7.6497 123.4534 55.0371 18.4203 179.7437 176 V 3.6038 8.2271 117.3767 66.2154 31.5917 178.3520 177 Q 4.1565 7.9685 117.6560 58.8856 28.5388 178.4730 178 M 4.0734 8.3714 119.9831 58.3830 32.0508 178.6566 179 A 4.1170 8.0590 120.8106 55.0028 18.4735 179.8960 180 V 3.6058 7.7229 116.6678 65.9776 31.4522 178.0726 181 F 4.0857 8.4055 120.6389 61.2732 38.7005 177.2927 182 I 3.9754 8.0596 119.6527 64.6252 36.7301 177.9250 183 H 4.1769 8.1399 118.0809 59.4142 30.0448 176.8779 184 N 4.4073 8.2290 118.2358 55.8248 38.1698 176.2629 185 H 4.7502 7.4867 115.2226 54.8198 29.4298 175.0285 186 K 4.1829 7.3042 123.8296 56.1830 33.2279 175.7668 187 R 4.6261 8.4442 126.8937 54.9324 30.9198 175.4400 188 K 4.1982 8.7449 124.6500 56.7818 35.3357 173.8538 189 G 3.7934 9.0225 112.8158 45.0199 0.0000 172.8625 190 G 3.8947 9.3633 104.5284 47.3027 0.0000 173.1058 191 I 2.9948 8.3558 114.0036 61.1972 35.5048 172.5418 192 G 3.7701 8.3348 113.5151 45.9809 0.0000 172.9785 193 G 4.0961 7.6766 111.5726 45.8170 0.0000 171.7272 194 Y 4.8178 7.8538 116.4558 55.9668 41.1826 173.9355 195 S 5.0316 8.5880 114.1575 55.5753 65.2934 175.1289 196 A 4.2244 8.9282 123.6090 55.8389 17.6762 180.3997 197 G 3.7274 8.5397 103.3351 47.3179 0.0000 175.1572 198 E 4.3885 8.6693 120.5289 58.1928 29.8593 178.8831 199 R 3.7754 7.8193 118.0781 59.1036 30.3343 178.5773 200 I 3.3827 7.3027 118.2056 63.9319 37.9213 178.1284 201 V 3.7413 7.5548 118.6829 65.7080 31.5767 177.4269 202 D 4.2840 7.8048 117.6168 57.0858 41.0449 178.3772 203 I 3.6690 7.9861 120.7389 64.5477 37.1865 178.5709 204 I 3.7822 7.6638 120.1610 64.2005 36.9051 178.3400 205 A 4.1243 8.0290 121.4535 55.0656 17.9982 179.8244 206 T 3.8998 7.4780 113.5605 66.6627 68.5761 176.2563 207 D 4.4563 7.9248 119.3662 57.2539 41.3082 178.0582 208 I 3.9238 7.6026 119.7788 64.0286 37.2553 176.3236 209 Q 4.2506 7.9980 123.9170 56.4191 29.0413 175.5493 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 57 S 8.18 4.39 0.00 3.86 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 58 P 0.00 4.22 0.00 2.34 2.15 0.00 3.78 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 2.01 2.14 0.00 59 G 8.63 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 60 I 7.37 4.94 1.89 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 1.28 0.99 0.96 0.00 0.00 61 W 9.23 5.36 0.00 3.22 3.12 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 62 Q 9.05 5.40 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 63 L 7.99 5.35 0.00 1.35 1.57 1.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.75 4.61 0.00 2.72 2.45 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 0.00 0.00 0.00 65 C 9.02 5.20 0.00 2.97 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 66 T 8.99 4.73 4.23 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 1.24 0.00 0.00 67 H 8.68 5.50 0.00 3.04 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.90 4.45 0.00 1.69 1.46 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.88 3.92 0.00 2.13 2.00 0.00 0.00 0.00 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 2.29 0.00 70 G 8.49 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 0.00 0.00 0.00 71 K 8.15 4.62 0.00 1.96 1.67 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 72 V 8.10 4.64 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 73 I 8.88 4.69 1.93 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 1.09 0.48 0.88 0.00 0.00 74 L 9.28 4.61 0.00 1.36 1.14 0.89 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.73 4.78 2.17 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 0.90 0.00 0.00 0.96 0.00 0.00 76 A 9.32 5.47 1.75 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 77 V 9.05 4.57 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 0.82 0.00 0.00 0.92 0.00 0.00 78 H 8.75 3.06 0.00 1.56 2.61 0.00 5.67 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.32 3.38 1.85 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 0.64 0.00 0.00 0.79 0.00 0.00 80 A 7.56 3.99 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.76 4.23 0.00 3.90 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 82 G 8.28 3.97 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 0.00 0.00 0.00 83 Y 7.78 4.33 0.00 3.18 2.51 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 84 I 7.54 5.19 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.68 0.79 0.00 0.00 85 E 9.36 4.80 0.00 2.19 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 2.41 2.80 0.00 86 A 8.54 5.35 1.20 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 87 E 8.33 4.62 0.00 2.27 1.75 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 2.25 2.31 0.00 88 V 8.64 4.50 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 0.87 0.00 0.00 0.93 0.00 0.00 89 I 8.62 4.66 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.88 0.00 0.00 90 P 0.00 4.30 0.00 2.17 2.22 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 91 A 7.48 4.72 1.18 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 0.00 0.00 92 E 8.41 4.23 0.00 1.90 1.85 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 2.12 2.18 0.00 93 T 7.18 4.78 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 1.17 0.00 0.00 94 G 8.37 3.53 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 95 Q 8.13 3.88 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 96 E 7.71 4.13 0.00 2.03 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 0.00 2.30 2.58 0.00 97 T 7.65 3.91 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 1.26 0.00 0.00 98 A 9.00 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 4.21 0.00 3.17 3.22 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 0.00 100 F 8.36 4.08 0.00 3.28 3.31 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 0.00 101 L 8.28 3.85 0.00 2.19 1.79 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.71 4.01 0.00 1.65 1.58 0.81 0.84 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 0.00 103 K 7.32 3.91 0.00 1.60 1.59 0.00 1.46 0.00 0.00 1.23 0.00 0.00 2.39 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.07 1.05 7.81 104 L 7.30 3.71 0.00 1.18 1.34 0.45 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.02 4.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 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 0.00 107 R 7.68 4.22 0.00 1.18 1.69 0.00 3.00 0.00 0.00 2.96 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.00 108 W 7.59 4.98 0.00 3.08 3.10 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 0.00 0.00 0.00 0.00 109 P 0.00 4.55 0.00 2.26 2.17 0.00 4.14 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 110 V 7.86 4.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.60 0.00 0.00 111 K 9.25 4.58 0.00 1.74 1.80 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.57 7.81 112 T 7.95 4.90 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 1.08 0.00 0.00 113 V 8.30 4.83 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 0.91 0.00 0.00 0.98 0.00 0.00 114 H 10.06 4.97 0.00 2.89 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.97 4.65 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 0.70 0.00 0.00 116 D 7.84 5.05 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.79 5.03 0.00 2.80 2.90 0.00 0.00 6.71 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 0.00 118 G 9.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.77 4.18 0.00 3.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.85 4.50 0.00 2.65 2.71 0.00 0.00 6.06 7.43 0.00 0.00 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 F 7.86 4.63 0.00 3.30 3.20 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 0.00 122 T 7.96 4.55 4.09 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 0.00 0.00 0.00 1.19 0.00 0.00 123 S 7.70 4.41 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 3.89 4.19 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 1.15 0.00 0.00 125 T 7.76 3.80 4.23 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 1.22 0.00 0.00 126 V 7.63 3.74 2.27 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 1.09 0.00 0.00 1.07 0.00 0.00 127 K 8.18 4.10 0.00 1.71 1.58 0.00 1.45 0.00 0.00 1.20 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.47 7.81 128 A 8.27 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.54 4.11 1.46 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 0.00 0.00 130 C 8.05 4.19 0.00 3.16 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 4.59 0.00 3.65 3.20 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 0.00 132 W 8.27 4.03 0.00 3.60 3.51 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 0.00 133 A 8.66 4.36 1.54 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 0.00 0.00 134 G 7.90 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 0.00 135 I 8.06 4.77 1.92 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 1.13 0.92 0.95 0.00 0.00 136 K 9.88 4.30 0.00 1.70 1.77 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.45 7.81 137 Q 8.73 4.44 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 138 E 8.12 4.58 0.00 1.49 1.78 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 2.07 2.12 0.00 139 F 8.82 4.90 0.00 2.90 3.27 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 *150 L 8.22 4.28 0.00 1.69 1.63 0.86 0.74 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 0.00 151 I 7.59 3.64 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.88 0.00 0.00 152 E 8.20 3.89 0.00 2.10 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 2.48 0.00 153 S 7.95 4.20 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.18 3.92 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.83 0.00 155 N 8.65 4.26 0.00 2.97 2.88 0.00 0.00 6.72 7.13 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 0.00 156 K 7.35 3.98 0.00 1.88 1.86 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 157 E 8.30 4.04 0.00 2.10 2.11 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 2.33 2.36 0.00 158 L 8.39 3.93 0.00 1.69 1.90 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.17 4.06 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 160 K 7.60 3.99 0.00 1.77 2.08 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 161 I 7.68 3.92 2.02 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 1.67 0.68 0.95 0.00 0.00 162 I 7.84 3.86 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.92 0.00 0.00 163 G 7.64 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.04 4.20 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 165 V 7.50 4.30 2.08 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 0.82 0.00 0.00 1.04 0.00 0.00 166 R 7.85 3.90 0.00 2.22 1.96 0.00 3.15 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 1.64 1.72 0.00 167 D 7.99 4.48 0.00 2.86 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 0.00 168 Q 8.15 4.27 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 169 A 7.09 4.68 1.22 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 0.00 170 E 8.81 3.96 0.00 1.84 1.70 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 2.14 2.24 0.00 171 H 7.62 4.89 0.00 3.22 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.55 4.00 0.00 1.90 1.69 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.39 3.72 0.00 1.89 1.75 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.56 7.81 174 T 7.89 3.98 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 175 A 7.65 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.23 3.60 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 177 Q 7.97 4.16 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 178 M 8.37 4.07 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.49 0.00 179 A 8.06 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.72 3.61 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.04 0.00 0.00 181 F 8.41 4.09 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.06 3.98 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.99 0.00 0.00 183 H 8.14 4.18 0.00 3.13 3.40 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.23 4.41 0.00 2.57 2.80 0.00 0.00 7.00 8.32 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 0.00 185 H 7.49 4.75 0.00 2.99 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 K 7.30 4.18 0.00 2.17 1.66 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 187 R 8.44 4.63 0.00 1.72 1.83 0.00 3.32 0.00 0.00 3.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 188 K 8.74 4.20 0.00 1.71 1.66 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.40 7.81 189 G 9.02 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 0.00 190 G 9.36 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 0.00 0.00 0.00 191 I 8.36 2.99 1.87 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 1.35 0.47 0.91 0.00 0.00 192 G 8.33 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 G 7.68 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 7.85 4.82 0.00 2.92 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 0.00 195 S 8.59 5.03 0.00 3.85 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 0.00 196 A 8.93 4.22 1.32 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 0.00 0.00 197 G 8.54 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.67 4.39 0.00 2.20 2.11 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 2.36 2.41 0.00 199 R 7.82 3.78 0.00 1.79 1.87 0.00 3.09 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 200 I 7.30 3.38 1.35 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.53 0.47 0.00 0.00 201 V 7.55 3.74 2.11 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 1.03 0.00 0.00 1.07 0.00 0.00 202 D 7.80 4.28 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 I 7.99 3.67 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.88 0.00 0.00 204 I 7.66 3.78 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 1.02 0.00 0.00 205 A 8.03 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.48 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 207 D 7.92 4.46 0.00 2.76 2.88 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 0.00 0.00 0.00 208 I 7.60 3.92 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.92 0.00 0.00 209 Q 8.00 4.25 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.