NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.5042 8.1832 117.5767 52.3165 38.6324 174.6661 2 L 4.3136 7.8345 118.8197 58.5321 41.4099 178.7791 3 F 4.0620 9.1801 117.4324 61.0677 39.1707 177.2420 4 Q 3.7485 10.4450 117.1429 59.4288 28.8209 179.4194 5 F 4.5593 9.4554 122.0178 61.9301 39.4171 176.7279 6 A 3.7665 10.4688 119.1914 55.3722 18.1749 179.2337 7 K 3.9002 8.7363 116.0474 60.3061 32.3392 179.0951 8 M 4.2965 8.0811 118.2012 58.8166 31.9875 179.1503 9 I 3.7461 7.5552 119.0084 64.5978 37.0808 178.1909 10 N 5.3292 7.5401 117.3614 55.6408 38.7434 177.1371 11 G 3.8180 9.6371 107.8677 45.7764 0.0000 175.1953 12 K 4.1100 7.0237 122.9249 59.0183 33.5391 177.8249 13 L 4.6199 7.9125 117.1860 54.3814 41.2095 176.5337 14 G 3.6651 7.8472 109.2599 45.4283 0.0000 171.4586 *16 A 4.3954 7.8496 119.6805 52.5798 19.3141 178.0714 17 F 4.2743 8.3246 119.3881 59.2622 40.3486 177.1219 18 S 4.2368 8.5383 115.8779 61.9718 62.8363 176.6574 19 V 3.7038 8.3388 120.8985 64.8517 30.5212 178.2418 20 W 4.4373 7.9612 119.0636 58.3575 29.0634 177.0968 21 N 4.8939 8.3903 115.3038 52.8902 38.4561 174.8795 22 Y 4.5065 8.4405 114.5749 57.5330 41.1087 175.9138 23 I 3.8522 7.8499 122.2863 63.8884 38.2180 175.7047 24 S 4.8966 6.8320 110.7190 56.7965 65.2618 173.0181 25 Y 4.7069 9.0034 130.4388 58.3366 41.2797 172.6190 26 G 4.5653 8.2715 118.2428 44.3947 0.0000 173.7153 27 C 4.1058 8.4176 115.8600 59.3567 40.8029 175.2001 28 Y 4.9948 8.0125 113.6105 57.7243 39.2797 174.7163 29 C 5.1465 8.3595 117.3464 56.4882 42.4857 175.6652 30 G 4.2263 8.5509 109.3922 46.7460 0.0000 173.7726 31 W 4.5805 9.2790 123.9161 56.1964 30.4868 175.7141 32 G 4.1385 8.4593 113.8408 47.1621 0.0000 172.5592 33 G 3.5554 8.5579 117.5125 45.0066 0.0000 172.7838 34 Q 4.6964 8.0841 118.3200 54.2834 31.7789 176.5560 35 G 4.0771 8.4488 107.9870 44.9670 0.0000 173.1553 36 T 4.1005 7.8643 107.8697 59.8504 70.1167 173.8748 37 P 4.3316 0.0000 0.0000 61.7088 31.6057 173.9768 38 K 4.4787 7.9752 114.1458 56.3172 36.8992 178.8031 39 D 4.6983 8.3249 118.3388 53.9731 39.1180 176.9929 40 A 4.6303 6.8459 118.5374 53.4756 21.0747 178.6618 41 T 3.9785 7.8241 112.6119 66.8732 68.1691 175.4538 42 D 4.6143 8.7704 119.0950 57.7869 41.1166 178.0418 43 R 4.2123 8.2716 118.3218 60.1107 29.7139 178.2763 44 C 4.1025 8.4607 115.0093 61.2003 38.9166 175.2483 45 C 4.1021 9.5707 115.9887 59.7231 37.8918 178.4610 46 F 3.6560 8.1721 120.7911 58.7483 41.3061 177.5073 47 V 2.9739 7.8299 115.8445 66.4169 31.2590 177.6236 48 H 3.7872 8.6874 118.0019 59.7918 29.5578 176.3095 49 D 4.3419 7.9803 119.5038 57.7865 40.6284 179.7408 50 C 4.1986 8.4522 117.8079 59.6991 37.5798 175.2269 51 C 4.1020 10.2993 119.9050 60.0086 43.0613 174.9992 52 Y 4.2027 8.8340 118.1230 61.2967 37.5192 178.8497 53 G 3.7920 8.2611 105.7590 48.0994 0.0000 175.4707 54 R 3.9540 8.1050 119.5013 58.3075 30.4515 176.7708 55 V 3.4584 6.4735 118.3495 61.2718 33.7153 175.2173 56 R 4.4293 8.0458 119.3309 55.2283 32.1289 175.7441 *59 G 3.9736 8.4030 105.6385 45.7181 0.0000 173.0179 *61 C 4.8528 7.6054 116.3866 56.6893 39.7256 172.4430 *67 N 4.7349 8.0670 116.8251 52.8757 38.3552 172.3634 68 P 3.9200 0.0000 0.0000 65.2518 31.5467 179.1767 69 K 3.9226 8.1810 118.6805 59.2617 32.2379 177.8803 70 L 4.4528 8.7119 115.6339 54.3478 41.6159 176.4095 71 A 4.4110 7.8615 123.4419 51.9324 19.3699 179.1593 72 I 4.6262 7.8105 119.0575 60.5106 38.6583 174.9388 73 Y 4.5480 7.4091 122.9784 55.7127 39.9566 174.8599 74 S 4.9558 8.8436 113.4605 56.9120 64.4582 172.5422 75 Y 5.3284 8.6315 124.4584 56.0696 41.3505 173.8783 76 S 4.5429 7.7372 115.8405 58.3443 66.4400 176.3727 77 F 4.7362 8.7036 120.6126 56.3696 39.5073 176.9764 78 K 4.2019 8.8836 126.7924 56.8419 29.9053 177.3687 79 K 3.6290 8.6002 120.0516 57.5447 31.6568 176.1404 80 G 4.3665 9.3523 102.9244 45.5683 0.0000 172.7147 81 N 5.1851 8.0321 116.3884 50.8826 42.5355 174.1063 82 I 3.1693 7.9536 123.0575 61.9573 38.3191 175.6461 83 V 4.2254 8.5446 124.7460 62.1006 35.2061 172.6218 84 C 4.6931 8.9165 126.5478 55.7874 39.9753 173.7945 85 G 3.7735 8.7196 111.4286 46.4009 0.0000 173.7958 86 K 4.7118 7.6667 119.9606 56.2108 28.9125 174.6203 *88 N 4.5925 8.0871 120.3440 54.0144 40.2763 174.1761 89 N 5.0442 8.2483 112.0132 51.9837 40.3933 172.1308 90 G 4.0786 7.7981 113.2017 44.4065 0.0000 174.2022 91 C 4.3463 9.0297 115.6193 57.7194 38.0347 175.8166 92 L 3.9365 8.4089 120.3604 58.4523 41.6884 179.3425 93 R 4.4172 7.4907 118.9082 60.6726 29.6250 177.1163 94 D 4.4208 8.9790 120.0447 55.3569 40.5130 179.5983 95 I 3.4606 6.9106 119.7815 64.5046 37.6738 177.9127 96 C 2.4500 8.3312 119.8683 58.7782 40.3193 175.0718 97 E 3.7840 7.7630 119.2704 60.5962 29.2954 178.3260 98 C 3.8953 8.5082 115.5045 60.3339 41.1479 175.6361 99 D 3.9048 8.4792 119.8400 58.5037 40.8400 178.6154 100 R 3.6630 9.5552 116.8248 60.6430 29.5434 178.3012 101 V 3.4179 8.7439 116.8192 66.2859 31.7679 178.4564 102 A 3.7132 7.4487 118.7495 55.8439 18.4128 178.6838 103 A 3.2679 8.1221 119.1110 54.5130 18.1744 179.0737 104 N 3.9061 8.4935 112.9040 56.4924 38.7672 176.5974 105 C 4.0825 9.9169 118.3829 59.8390 42.0922 175.6015 106 F 4.6493 8.1545 119.9250 61.0589 38.3861 176.8213 107 H 4.4487 8.5105 116.2901 59.7823 29.5698 176.3415 108 Q 4.2546 8.2540 119.9549 58.0882 29.6530 176.0475 109 N 5.0836 9.6105 118.0534 52.3134 38.8901 174.9389 110 K 4.2184 7.5348 120.2824 58.2124 33.3893 179.5623 111 N 4.4362 8.1969 119.2092 57.2161 38.9629 176.7737 112 T 3.9570 7.2353 110.0665 65.5163 68.7178 173.9952 113 Y 3.8971 8.7671 122.9533 58.1622 38.5365 175.9030 114 N 4.8712 8.5335 122.0956 51.0741 39.7827 174.8565 115 K 4.6149 8.6513 124.1671 59.4858 32.4943 178.3452 116 N 4.6268 8.1326 113.0653 55.0464 38.6936 175.0037 117 Y 4.2652 9.3955 116.2577 57.6994 38.4142 175.0231 118 K 4.2986 7.7917 121.0652 56.2401 32.5739 173.0824 119 F 4.2075 9.0330 128.8525 57.3999 36.6377 174.1001 120 L 4.8371 8.0132 124.1115 52.7651 45.1138 177.2551 121 S 4.3865 8.5693 113.8216 58.5230 62.3972 174.7774 122 S 3.7603 7.7519 112.4056 59.3844 61.7562 171.9461 *124 S 4.8661 7.6365 114.8817 58.5869 63.6924 175.3554 125 R 3.9835 7.9273 117.1905 58.0379 30.1953 177.5825 126 C 4.5498 7.7256 113.3383 57.8972 41.8005 173.8800 127 R 3.8721 6.3434 118.9644 57.3004 26.8267 174.6196 128 Q 4.4083 7.5960 122.2383 55.9715 32.2349 172.4667 129 T 4.4527 7.9256 115.4556 61.7404 69.5730 174.8549 130 S 5.2636 8.5841 120.6357 57.9301 63.7926 175.4965 131 E 4.2955 8.5738 124.9481 55.7409 30.4308 175.2464 132 Q 4.8503 8.4188 114.2512 54.5890 31.5257 176.0079 133 C 4.4766 8.7308 115.3235 57.4662 41.3637 173.7681 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 5.50 0.00 3.18 3.39 0.00 0.00 6.08 5.79 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 2 L 7.83 4.31 0.00 1.68 1.80 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.18 4.06 0.00 3.38 3.02 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 0.00 0.00 0.00 0.00 4 Q 10.45 3.75 0.00 1.91 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.50 0.00 5 F 9.46 4.56 0.00 3.14 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 A 10.47 3.77 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 0.00 0.00 0.00 0.00 0.00 7 K 8.74 3.90 0.00 2.14 2.19 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.40 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.75 7.81 8 M 8.08 4.30 0.00 2.14 2.45 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 9 I 7.56 3.75 1.92 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.45 0.83 0.00 0.00 10 N 7.54 5.33 0.00 2.99 2.98 0.00 0.00 6.91 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.64 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 0.00 0.00 0.00 12 K 7.02 4.11 0.00 1.89 2.05 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.63 7.81 13 L 7.91 4.62 0.00 1.95 1.76 1.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.85 3.67 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 0.00 0.00 0.00 *16 A 7.85 4.40 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 0.00 0.00 0.00 0.00 0.00 17 F 8.32 4.27 0.00 3.36 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 18 S 8.54 4.24 0.00 4.16 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 19 V 8.34 3.70 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 1.30 0.00 0.00 1.05 0.00 0.00 20 W 7.96 4.44 0.00 3.79 3.45 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 21 N 8.39 4.89 0.00 2.56 2.55 0.00 0.00 6.73 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 22 Y 8.44 4.51 0.00 2.85 2.68 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 23 I 7.85 3.85 1.79 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 0.87 1.14 0.81 0.00 0.00 24 S 6.83 4.90 0.00 4.01 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 25 Y 9.00 4.71 0.00 2.88 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 26 G 8.27 4.57 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 0.00 0.00 0.00 27 C 8.42 4.11 0.00 2.37 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 28 Y 8.01 4.99 0.00 3.28 3.04 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 0.00 0.00 0.00 29 C 8.36 5.15 0.00 3.59 3.19 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 30 G 8.55 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 0.00 0.00 0.00 0.00 31 W 9.28 4.58 0.00 3.24 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 32 G 8.46 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 4.70 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.94 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 35 G 8.45 4.08 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 0.00 0.00 0.00 36 T 7.86 4.10 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 1.14 0.00 0.00 37 P 0.00 4.33 0.00 2.01 2.05 0.00 3.52 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 38 K 7.98 4.48 0.00 1.78 1.87 0.00 1.17 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.02 0.64 7.81 39 D 8.32 4.70 0.00 2.80 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 0.00 0.00 0.00 40 A 6.85 4.63 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 41 T 7.82 3.98 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 0.79 0.00 0.00 42 D 8.77 4.61 0.00 3.12 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 43 R 8.27 4.21 0.00 2.06 2.28 0.00 3.38 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 44 C 8.46 4.10 0.00 3.60 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.57 4.10 0.00 3.47 3.30 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 46 F 8.17 3.66 0.00 3.56 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.83 2.97 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 0.77 0.00 0.00 1.09 0.00 0.00 48 H 8.69 3.79 0.00 3.04 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.98 4.34 0.00 2.77 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 50 C 8.45 4.20 0.00 2.31 2.83 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 0.00 0.00 0.00 0.00 51 C 10.30 4.10 0.00 2.91 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 52 Y 8.83 4.20 0.00 2.81 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 8.26 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 54 R 8.10 3.95 0.00 1.84 1.93 0.00 3.32 0.00 0.00 3.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 55 V 6.47 3.46 2.16 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 0.66 0.00 0.00 0.84 0.00 0.00 56 R 8.05 4.43 0.00 1.96 1.92 0.00 3.02 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 *59 G 8.40 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 *61 C 7.61 4.85 0.00 2.94 3.04 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 0.00 0.00 0.00 *67 N 8.07 4.73 0.00 2.68 2.72 0.00 0.00 7.66 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 68 P 0.00 3.92 0.00 0.53 0.49 0.00 3.33 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 1.38 1.56 0.00 69 K 8.18 3.92 0.00 1.84 2.03 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 70 L 8.71 4.45 0.00 1.58 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.86 4.41 1.24 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 0.00 0.00 0.00 72 I 7.81 4.63 1.84 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 1.05 1.41 0.86 0.00 0.00 73 Y 7.41 4.55 0.00 3.07 3.03 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 0.00 0.00 0.00 0.00 74 S 8.84 4.96 0.00 3.93 3.83 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 0.00 0.00 0.00 0.00 75 Y 8.63 5.33 0.00 3.11 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 76 S 7.74 4.54 0.00 3.88 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 77 F 8.70 4.74 0.00 2.85 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 78 K 8.88 4.20 0.00 1.87 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 79 K 8.60 3.63 0.00 1.93 1.92 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.49 7.81 80 G 9.35 4.37 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 0.00 0.00 0.00 81 N 8.03 5.19 0.00 2.64 2.65 0.00 0.00 7.13 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 82 I 7.95 3.17 1.60 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.80 0.00 0.00 83 V 8.54 4.23 2.19 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 0.88 0.00 0.00 0.96 0.00 0.00 84 C 8.92 4.69 0.00 2.83 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 85 G 8.72 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 86 K 7.67 4.71 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.46 7.81 *88 N 8.09 4.59 0.00 2.76 2.82 0.00 0.00 7.04 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.25 5.04 0.00 2.64 2.69 0.00 0.00 6.99 7.98 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 90 G 7.80 4.08 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 0.00 0.00 0.00 91 C 9.03 4.35 0.00 3.06 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 92 L 8.41 3.94 0.00 1.77 1.94 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.49 4.42 0.00 1.67 2.18 0.00 3.13 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 94 D 8.98 4.42 0.00 2.77 2.48 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 0.00 95 I 6.91 3.46 2.01 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 1.29 0.69 1.01 0.00 0.00 96 C 8.33 2.45 0.00 1.90 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 97 E 7.76 3.78 0.00 2.20 1.91 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 2.34 2.46 0.00 98 C 8.51 3.90 0.00 3.07 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 99 D 8.48 3.90 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.56 3.66 0.00 1.84 1.91 0.00 3.02 0.00 0.00 3.10 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 101 V 8.74 3.42 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 0.88 0.00 0.00 0.91 0.00 0.00 102 A 7.45 3.71 1.37 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 0.00 0.00 103 A 8.12 3.27 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 0.00 0.00 0.00 0.00 0.00 104 N 8.49 3.91 0.00 2.78 2.86 0.00 0.00 6.81 7.25 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 0.00 105 C 9.92 4.08 0.00 2.82 2.96 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 0.00 0.00 0.00 106 F 8.15 4.65 0.00 3.07 3.07 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 0.00 0.00 0.00 0.00 107 H 8.51 4.45 0.00 3.25 3.57 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.25 4.25 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 109 N 9.61 5.08 0.00 2.84 2.75 0.00 0.00 6.84 7.56 0.00 0.00 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 K 7.53 4.22 0.00 1.84 1.76 0.00 1.63 0.00 0.00 1.51 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.62 7.81 111 N 8.20 4.44 0.00 2.73 2.93 0.00 0.00 6.89 7.54 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 0.00 112 T 7.24 3.96 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 1.23 0.00 0.00 113 Y 8.77 3.90 0.00 3.13 2.72 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 0.00 114 N 8.53 4.87 0.00 2.41 2.05 0.00 0.00 7.16 6.63 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 0.00 115 K 8.65 4.61 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.47 7.81 116 N 8.13 4.63 0.00 2.80 2.96 0.00 0.00 6.85 7.46 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 0.00 117 Y 9.40 4.27 0.00 2.46 1.79 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 0.00 118 K 7.79 4.30 0.00 1.46 1.35 0.00 1.98 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.95 1.88 7.81 119 F 9.03 4.21 0.00 3.21 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 0.00 120 L 8.01 4.84 0.00 1.59 1.41 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.57 4.39 0.00 3.80 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 0.00 122 S 7.75 3.76 0.00 4.20 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 0.00 *124 S 7.64 4.87 0.00 3.88 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 0.00 125 R 7.93 3.98 0.00 1.70 1.78 0.00 3.30 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 126 C 7.73 4.55 0.00 2.87 3.17 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 0.00 127 R 6.34 3.87 0.00 1.91 1.84 0.00 3.24 0.00 0.00 2.99 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 128 Q 7.60 4.41 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 129 T 7.93 4.45 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 1.23 0.00 0.00 130 S 8.58 5.26 0.00 4.08 4.18 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 0.00 131 E 8.57 4.30 0.00 1.88 1.91 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 2.32 2.42 0.00 132 Q 8.42 4.85 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 133 C 8.73 4.48 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.