NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5401 8.3493 120.1908 54.0295 42.4156 174.0069 6 L 4.3591 8.1406 121.9475 52.9538 41.9307 174.6594 7 R 4.0222 8.7683 124.6655 59.0316 30.8956 177.1723 8 P 4.5064 0.0000 0.0000 63.3901 31.3804 175.7065 9 N 4.6529 7.3874 115.0446 56.8025 40.1637 176.0375 10 P 3.2595 0.0000 0.0000 60.6412 32.9602 176.2273 11 G 3.5749 8.2498 111.1367 46.8307 0.0000 171.8910 12 A 3.8285 7.8886 128.9404 50.5748 17.3911 176.9670 13 N 4.3270 8.6617 119.8108 54.3665 37.1521 176.0438 14 K 3.4897 8.1015 114.4017 57.3043 32.7652 175.2104 15 R 4.4701 7.5290 126.4713 55.0786 33.2149 174.7701 16 R 4.3206 8.5155 119.9794 55.4178 31.5970 176.6288 17 K 3.9678 8.0770 118.2911 56.5315 30.6093 175.4194 18 R 3.9072 7.3578 117.0216 57.8880 30.1583 176.8994 19 V 3.7382 7.6261 110.4554 61.9627 29.9601 176.1394 20 G 3.8553 8.1533 114.3809 44.3006 0.0000 171.2756 21 R 4.2591 8.3798 118.5977 54.9329 30.0927 176.4908 22 G 4.0723 8.5366 112.6425 43.5680 0.0000 171.8804 23 P 5.4708 0.0000 0.0000 61.1622 31.4883 177.3880 24 G 3.9627 8.2174 106.3477 43.9554 0.0000 171.6163 25 S 5.0640 8.0274 124.5330 57.4937 64.8497 178.2633 26 G 3.6342 8.7155 114.6052 48.0262 0.0000 173.4235 27 H 4.9049 8.1305 118.8622 54.2547 32.9862 170.4206 28 G 4.2306 8.2941 112.6324 44.9104 0.0000 177.5627 29 K 4.2847 9.0395 127.7912 55.5712 30.9735 176.3201 30 T 4.8439 8.3291 116.0174 60.3967 71.0281 177.3423 31 A 3.1294 7.8155 118.1911 54.8724 20.9243 178.4884 32 T 3.7786 8.1883 118.4198 61.7383 69.4851 178.1939 33 R 4.2899 8.4691 114.2916 56.4596 29.4778 181.1297 34 G 3.6817 8.6115 109.5130 48.0129 0.0000 174.5033 *35 H 4.0008 9.2584 124.9402 54.4667 27.1754 172.0618 36 K 4.0682 7.7355 116.1423 54.9350 29.7144 172.7564 37 G 3.2836 8.3740 105.5116 47.7857 0.0000 175.1059 38 Q 4.5973 7.8067 130.2082 54.4326 31.4278 176.9462 39 K 4.2793 8.2209 116.7665 54.6171 34.8583 175.5819 40 S 3.8310 9.0547 113.6319 60.8815 60.8241 174.0835 41 R 4.7439 7.7728 112.5955 55.9458 29.8217 176.4776 42 S 4.7437 7.7598 115.2939 59.6483 65.9831 177.9518 43 G 4.1038 7.8233 109.5951 44.6724 0.0000 172.6752 44 G 4.0694 8.2932 107.4560 44.2715 0.0000 173.7571 45 L 4.6553 7.9868 124.0527 52.6201 44.2263 175.4966 46 K 3.4403 7.5874 117.1070 58.8005 32.3859 175.3455 47 D 4.8277 7.8769 117.0848 53.8892 45.1408 174.9603 48 P 4.5121 0.0000 0.0000 65.7500 34.4845 180.3398 49 R 3.1101 8.0287 111.3713 55.2946 31.0902 177.3632 50 R 3.9135 9.3722 123.5853 59.9340 29.9781 177.9846 51 F 4.3166 7.5876 116.3268 56.1369 40.0861 175.8968 52 E 4.3283 8.6594 117.3464 57.4179 27.8748 174.5036 53 G 3.8009 8.9607 109.5285 44.9797 0.0000 175.8118 54 G 4.0104 8.4121 106.6217 45.4036 0.0000 174.1897 55 R 3.9276 7.8778 118.8539 56.6606 29.7802 177.5967 56 S 4.6164 8.9705 114.2795 62.1274 65.7675 181.8642 57 T 2.7923 6.6660 110.0049 59.5051 71.0663 173.2633 58 T 4.8181 7.4526 121.0998 63.4564 71.9571 174.4180 59 L 3.8916 8.0587 123.7807 56.8913 42.4358 177.6912 60 M 4.1528 8.4552 118.0727 59.0436 32.0132 177.3353 61 R 3.8129 7.9748 112.9926 56.6538 29.5096 176.1752 62 L 4.3596 8.3161 122.0210 54.6278 42.4095 174.7592 63 P 4.7750 0.0000 0.0000 61.5012 30.8203 176.5666 64 K 3.8399 7.9484 116.8627 58.9601 32.8514 177.0712 65 R 4.2965 7.9991 120.0116 55.8257 28.5985 178.0622 66 G 3.7371 7.7644 111.5262 45.8950 0.0000 171.6301 67 M 3.0649 8.5836 111.1777 57.0513 29.5603 177.0026 68 Q 4.4509 8.9400 118.5797 54.2676 31.6558 173.6198 69 G 3.4862 7.6600 105.6723 44.2036 0.0000 173.0832 70 Q 4.5941 8.1817 125.1165 53.9423 30.9973 176.9863 71 V 3.6033 8.5122 119.8795 64.6714 31.2642 175.7886 72 P 4.2867 0.0000 0.0000 64.6310 32.1012 175.5556 73 G 3.9756 7.1120 103.9417 44.4356 0.0000 173.3789 74 E 4.5920 8.5914 123.3600 54.6024 31.9154 175.2858 75 I 4.2237 7.8640 120.2371 59.5126 38.4295 176.6091 76 K 4.1525 8.5207 126.7509 55.9937 30.5031 175.6446 77 R 4.6856 7.9346 120.8384 52.8418 32.2409 174.1295 78 P 4.4011 0.0000 0.0000 62.2126 31.8982 176.0974 79 R 4.4499 8.2397 119.7634 54.9639 31.3026 174.8695 80 Y 4.9784 8.2967 115.8914 56.3451 41.0089 174.8408 81 Q 4.6674 8.7204 122.7361 54.1784 32.6241 176.2903 82 G 4.0774 8.5712 111.8269 45.4846 0.0000 172.7710 83 V 4.9278 8.1933 128.9487 61.1451 30.5059 169.1774 84 N 4.3510 7.7397 123.6660 54.4045 39.4021 176.1821 85 L 3.9390 8.3937 123.7940 58.7120 40.0701 179.6061 86 K 3.9812 7.7333 120.8622 59.8205 31.9648 177.8848 87 D 4.5956 8.4108 115.2475 55.5983 40.8880 177.3176 88 L 4.1899 8.0305 120.5345 55.7393 42.5221 178.1801 89 A 3.8937 7.6362 120.2000 55.0620 18.1995 178.9779 90 R 4.0793 8.0374 116.3359 61.1443 30.4268 175.5269 91 F 4.7716 7.7392 113.1634 56.9938 39.6439 172.8305 92 E 4.6631 8.7242 118.2063 56.3656 33.6277 174.5482 93 G 4.0107 8.3172 114.3502 44.5912 0.0000 174.6046 94 E 5.6968 8.7439 118.4854 53.4443 30.5115 173.5895 95 V 4.1916 7.9322 116.4594 61.1777 33.2538 175.1862 96 T 4.8752 8.3524 113.6413 59.7868 71.9519 171.5021 97 P 4.5176 0.0000 0.0000 63.8478 32.0294 175.1670 98 E 4.5613 8.9157 119.5968 56.4275 26.6557 176.6880 99 L 4.5036 7.8067 118.9521 55.9264 43.6043 177.7711 100 L 4.0803 8.2708 119.9213 58.1568 42.3547 179.1489 101 V 4.4670 7.6156 113.2810 63.5681 31.5982 177.8750 102 R 4.0821 7.4779 115.0651 57.7038 30.0579 175.5366 103 A 4.5946 7.7054 121.1463 51.0781 21.3422 177.5328 104 G 3.9755 8.5626 105.3558 46.0368 0.0000 173.4480 105 L 4.7852 7.5305 120.3187 54.4751 44.5480 176.4351 106 L 4.2861 9.5631 125.3439 55.5405 39.8303 172.9906 107 K 3.6266 9.3660 122.1698 57.4784 34.2551 175.3133 108 K 3.8120 8.8955 118.2805 57.8872 30.8921 176.3258 109 G 3.7218 9.6829 106.8394 46.0392 0.0000 170.0491 110 Y 3.1546 7.9733 126.9543 57.5690 40.3484 168.0309 111 R 3.4547 7.6374 124.3214 56.5174 28.5088 174.6489 112 L 4.6664 7.8355 124.7145 53.5225 43.9001 174.9370 113 K 4.7115 8.7634 128.3956 54.3555 34.0271 174.7243 114 I 4.0569 7.9351 129.3134 60.8461 39.1625 174.1367 115 L 4.2790 8.0153 129.8806 55.3945 44.7278 173.7621 116 G 4.1741 8.7346 104.9449 45.9394 0.0000 171.0882 117 E 4.3815 8.2400 119.7260 54.4170 32.4664 175.1633 118 G 4.1478 9.5104 106.1585 51.0100 0.0000 176.4638 119 E 3.4481 7.2569 112.8864 55.6924 27.0024 177.2143 120 A 4.0771 8.3647 127.6493 51.9980 19.3736 176.7316 121 K 4.4359 8.0648 119.2635 54.3762 33.9753 172.1508 122 P 4.6018 0.0000 0.0000 61.3708 30.5435 174.8755 123 L 4.7734 8.1935 121.4814 53.6251 44.7864 176.4471 124 K 4.3614 8.5751 121.1743 55.6087 32.6017 175.7406 125 V 4.7770 8.0180 127.6411 59.9355 32.6522 175.9151 126 V 4.4007 8.3505 125.7504 62.5661 32.8424 174.4885 127 A 4.1842 7.7566 124.2408 52.4858 22.3169 175.3755 128 H 4.9764 8.8790 113.3764 56.4338 30.8666 175.2904 129 A 4.6653 7.2915 118.2803 50.7414 22.4657 175.0972 130 F 5.4471 8.7258 117.4645 54.8199 42.8542 174.7253 131 S 4.5895 8.7464 116.4387 57.0284 64.8117 175.0288 132 K 3.9763 8.8564 120.5338 59.9883 33.6036 178.4181 133 S 3.9598 9.1964 112.1956 59.9431 61.2431 177.7033 134 A 3.6060 5.8000 121.3463 54.1149 20.0291 178.7152 135 L 3.6719 7.4968 117.4334 58.8445 42.1289 178.8323 136 E 3.9125 10.3892 117.6703 59.1504 29.2279 179.2293 137 K 3.8548 8.0020 118.8316 59.2732 32.2172 178.2645 138 L 4.1989 7.7870 119.8353 57.2064 42.4487 177.8483 139 K 3.8281 8.1533 118.7451 58.8226 33.2785 177.1216 140 A 4.0190 7.5431 122.3652 51.1535 16.7106 173.0627 141 A 3.7019 8.1732 130.4748 51.7011 18.7816 177.1080 142 G 3.8120 7.5689 116.6432 46.2405 0.0000 175.8867 143 G 4.5216 8.3748 124.4805 45.8693 0.0000 171.0625 144 E 4.3671 8.3575 130.8941 53.7376 28.2104 172.9288 145 P 4.8056 0.0000 0.0000 60.2259 32.4283 176.8581 146 V 4.7336 8.5486 130.2324 59.9805 31.0393 181.0482 147 L 3.2525 9.5999 120.3890 55.4694 42.4154 176.4919 148 L 3.6939 8.3963 116.6108 53.8609 39.5572 173.3536 149 E 4.0770 9.9793 116.7487 58.0686 26.8567 175.5755 150 A 4.1332 8.0687 125.2248 52.7212 18.9856 175.7595 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 5 D 8.35 4.54 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.36 0.00 1.86 1.66 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.77 4.02 0.00 1.90 2.01 0.00 3.22 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 8 P 0.00 4.51 0.00 2.22 2.12 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 9 N 7.39 4.65 0.00 2.65 3.06 0.00 0.00 7.12 7.80 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 10 P 0.00 3.26 0.00 2.12 2.04 0.00 4.08 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 11 G 8.25 3.57 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 12 A 7.89 3.83 1.26 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 0.00 0.00 13 N 8.66 4.33 0.00 2.84 2.85 0.00 0.00 6.51 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 14 K 8.10 3.49 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.44 7.81 15 R 7.53 4.47 0.00 1.73 1.81 0.00 3.17 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 16 R 8.52 4.32 0.00 2.00 2.14 0.00 3.14 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 17 K 8.08 3.97 0.00 1.88 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.41 7.81 18 R 7.36 3.91 0.00 1.91 1.95 0.00 3.48 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 19 V 7.63 3.74 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 0.70 0.00 0.00 0.96 0.00 0.00 20 G 8.15 3.86 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 0.00 0.00 0.00 21 R 8.38 4.26 0.00 1.81 1.90 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 22 G 8.54 4.07 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 0.00 0.00 0.00 23 P 0.00 5.47 0.00 2.03 2.12 0.00 3.68 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 24 G 8.22 3.96 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 0.00 0.00 0.00 25 S 8.03 5.06 0.00 3.94 3.76 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 26 G 8.72 3.63 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 0.00 0.00 0.00 27 H 8.13 4.90 0.00 3.08 3.13 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.29 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 29 K 9.04 4.28 0.00 2.02 1.77 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 30 T 8.33 4.84 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 1.21 0.00 0.00 31 A 7.82 3.13 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.19 3.78 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 1.21 0.00 0.00 33 R 8.47 4.29 0.00 1.96 1.96 0.00 3.27 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 34 G 8.61 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 *35 H 9.26 4.00 0.00 3.12 3.01 0.00 7.22 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.74 4.07 0.00 1.90 1.98 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.21 0.97 7.81 37 G 8.37 3.28 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 38 Q 7.81 4.60 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.02 1.73 0.00 39 K 8.22 4.28 0.00 1.71 1.55 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.11 0.86 7.81 40 S 9.05 3.83 0.00 3.97 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 41 R 7.77 4.74 0.00 1.76 1.69 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 42 S 7.76 4.74 0.00 3.81 3.84 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 43 G 7.82 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 44 G 8.29 4.07 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 0.00 0.00 0.00 45 L 7.99 4.66 0.00 1.60 1.55 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.59 3.44 0.00 1.74 1.65 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.60 1.52 7.81 47 D 7.88 4.83 0.00 2.73 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 48 P 0.00 4.51 0.00 2.27 2.29 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 49 R 8.03 3.11 0.00 2.04 1.93 0.00 3.23 0.00 0.00 3.29 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 50 R 9.37 3.91 0.00 1.79 2.04 0.00 3.07 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 51 F 7.59 4.32 0.00 3.06 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 E 8.66 4.33 0.00 2.13 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 0.00 2.24 2.23 0.00 53 G 8.96 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 0.00 0.00 0.00 54 G 8.41 4.01 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 0.00 0.00 0.00 55 R 7.88 3.93 0.00 1.84 1.78 0.00 3.27 0.00 0.00 3.23 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 S 8.97 4.62 0.00 3.81 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 57 T 6.67 2.79 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 1.21 0.00 0.00 58 T 7.45 4.82 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 1.18 0.00 0.00 59 L 8.06 3.89 0.00 1.43 1.64 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.46 4.15 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 61 R 7.97 3.81 0.00 1.87 1.97 0.00 3.07 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 62 L 8.32 4.36 0.00 1.77 1.71 0.92 0.65 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 63 P 0.00 4.78 0.00 2.22 2.25 0.00 3.71 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 1.98 1.91 0.00 64 K 7.95 3.84 0.00 1.73 1.88 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.39 7.81 65 R 8.00 4.30 0.00 1.77 1.98 0.00 3.31 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 66 G 7.76 3.74 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 0.00 0.00 0.00 67 M 8.58 3.06 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 68 Q 8.94 4.45 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.57 0.00 69 G 7.66 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 0.00 0.00 0.00 70 Q 8.18 4.59 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 71 V 8.51 3.60 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 0.72 0.00 0.00 0.93 0.00 0.00 72 P 0.00 4.29 0.00 2.05 2.19 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 73 G 7.11 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 74 E 8.59 4.59 0.00 2.06 1.94 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 2.18 2.29 0.00 75 I 7.86 4.22 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.47 0.91 0.00 0.00 76 K 8.52 4.15 0.00 1.67 1.73 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.34 7.81 77 R 7.93 4.69 0.00 1.93 1.87 0.00 3.10 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 78 P 0.00 4.40 0.00 2.05 2.14 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 79 R 8.24 4.45 0.00 1.95 1.96 0.00 2.99 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 80 Y 8.30 4.98 0.00 2.88 2.91 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 81 Q 8.72 4.67 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 82 G 8.57 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 83 V 8.19 4.93 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 0.71 0.00 0.00 0.94 0.00 0.00 84 N 7.74 4.35 0.00 2.81 3.11 0.00 0.00 6.69 6.74 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 85 L 8.39 3.94 0.00 1.87 1.99 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.73 3.98 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.50 7.81 87 D 8.41 4.60 0.00 2.66 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 88 L 8.03 4.19 0.00 1.76 1.37 0.94 0.67 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 89 A 7.64 3.89 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 90 R 8.04 4.08 0.00 1.97 2.43 0.00 3.38 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 91 F 7.74 4.77 0.00 3.19 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 92 E 8.72 4.66 0.00 1.89 1.84 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 2.13 2.21 0.00 93 G 8.32 4.01 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 0.00 0.00 0.00 94 E 8.74 5.70 0.00 1.95 1.84 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 2.21 2.20 0.00 95 V 7.93 4.19 2.12 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 0.44 0.00 0.00 0.94 0.00 0.00 96 T 8.35 4.88 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 1.30 0.00 0.00 97 P 0.00 4.52 0.00 1.94 1.91 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 98 E 8.92 4.56 0.00 2.13 2.43 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 2.10 2.15 0.00 99 L 7.81 4.50 0.00 1.70 1.85 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.27 4.08 0.00 1.88 1.70 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.62 4.47 2.12 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 1.25 0.00 0.00 0.96 0.00 0.00 102 R 7.48 4.08 0.00 1.94 2.06 0.00 3.20 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 103 A 7.71 4.59 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 0.00 104 G 8.56 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 0.00 105 L 7.53 4.79 0.00 1.81 1.77 1.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.56 4.29 0.00 1.80 1.48 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 107 K 9.37 3.63 0.00 2.14 2.01 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 108 K 8.90 3.81 0.00 1.98 1.93 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.52 7.81 109 G 9.68 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 0.00 0.00 0.00 110 Y 7.97 3.15 0.00 3.11 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 0.00 111 R 7.64 3.45 0.00 1.86 1.59 0.00 2.65 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.33 0.00 112 L 7.84 4.67 0.00 1.56 1.34 0.79 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.76 4.71 0.00 1.85 1.81 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.13 7.81 114 I 7.94 4.06 1.80 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 1.50 1.22 0.35 0.00 0.00 115 L 8.02 4.28 0.00 1.72 1.59 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.73 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 0.00 0.00 0.00 0.00 117 E 8.24 4.38 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 2.29 2.35 0.00 118 G 9.51 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.26 3.45 0.00 2.02 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 0.00 2.27 2.27 0.00 120 A 8.36 4.08 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 0.00 121 K 8.06 4.44 0.00 1.73 1.68 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 122 P 0.00 4.60 0.00 2.02 2.04 0.00 3.66 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.40 0.00 123 L 8.19 4.77 0.00 1.56 1.56 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.58 4.36 0.00 1.84 1.91 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 125 V 8.02 4.78 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 0.92 0.00 0.00 1.04 0.00 0.00 126 V 8.35 4.40 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 0.76 0.00 0.00 0.98 0.00 0.00 127 A 7.76 4.18 0.62 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 0.00 0.00 128 H 8.88 4.98 0.00 3.24 3.47 0.00 5.70 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 0.00 129 A 7.29 4.67 0.98 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 0.00 130 F 8.73 5.45 0.00 2.87 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 0.00 131 S 8.75 4.59 0.00 3.90 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 0.00 132 K 8.86 3.98 0.00 1.76 1.96 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.41 7.81 133 S 9.20 3.96 0.00 3.89 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 0.00 134 A 5.80 3.61 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 0.00 135 L 7.50 3.67 0.00 1.89 1.80 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 136 E 10.39 3.91 0.00 2.04 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 2.66 2.48 0.00 137 K 8.00 3.85 0.00 1.83 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 138 L 7.79 4.20 0.00 1.61 1.79 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.15 3.83 0.00 1.72 1.97 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.44 7.81 140 A 7.54 4.02 1.25 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 0.00 141 A 8.17 3.70 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 0.00 142 G 7.57 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 0.00 143 G 8.37 4.52 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 0.00 0.00 0.00 144 E 8.36 4.37 0.00 1.41 1.60 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 1.66 1.47 0.00 145 P 0.00 4.81 0.00 2.20 2.05 0.00 3.94 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 146 V 8.55 4.73 2.39 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 0.81 0.00 0.00 1.06 0.00 0.00 147 L 9.60 3.25 0.00 1.71 1.00 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.40 3.69 0.00 1.81 1.80 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 149 E 9.98 4.08 0.00 1.99 2.37 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 2.09 2.15 0.00 150 A 8.07 4.13 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 * Residues marked with a * may have inaccurate shift predictions.