NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9674 8.2133 109.7356 45.7839 0.0000 173.8668 3 T 3.6786 8.5199 114.8604 65.7352 68.2960 174.5988 4 K 3.8000 8.5918 122.3936 59.5156 32.6754 178.2214 5 E 3.9831 8.0989 118.3409 59.4940 29.4119 179.4239 6 R 3.9467 8.0999 118.1080 59.2251 30.0512 179.1550 7 I 3.7514 8.0319 119.7111 64.4376 37.1433 178.3954 8 L 3.9168 8.2062 119.9007 57.8744 41.4229 179.5693 9 E 3.9229 8.3170 118.4410 59.3943 29.3462 179.5771 10 V 3.5469 7.8946 118.3287 66.0825 31.5229 178.3173 11 S 3.5518 8.1424 115.0931 61.1914 62.5773 176.7717 12 K 4.0490 8.0312 121.2507 59.3736 31.7330 179.2676 13 E 4.0155 8.0836 118.7820 59.5179 29.3730 179.4807 14 L 4.0118 8.0085 119.1364 57.8577 41.6047 179.6145 15 F 4.8100 8.4233 118.2481 60.5885 38.6081 177.4970 16 F 4.3249 8.3859 119.4580 61.4803 39.3085 176.7939 17 E 3.9495 8.2909 117.2192 58.5332 29.2950 178.2640 18 K 4.4623 8.1786 113.9176 56.2136 33.3061 177.1696 19 G 4.2119 8.7023 104.8010 46.2661 0.0000 174.6710 20 Y 3.3030 9.2704 121.5056 60.4670 38.9513 178.6190 21 Q 3.9947 8.3448 117.0582 58.7564 28.8991 177.4269 22 G 3.9905 7.4958 104.8249 45.5453 0.0000 173.1464 23 T 4.8122 7.6803 116.2363 61.1787 71.4451 174.3639 24 S 4.7234 8.6149 120.9950 56.5489 66.6419 175.5839 25 V 3.1769 7.9598 121.4725 65.8561 31.1804 177.6801 26 E 3.8296 7.9950 118.6389 59.3897 29.5275 178.5683 27 E 3.9666 8.1401 118.5541 59.2373 29.4725 179.4321 28 I 3.6044 7.5635 119.8192 64.6181 37.1512 179.0360 29 V 3.6879 7.8454 113.2595 63.8822 31.2798 178.6617 30 K 3.8792 8.0574 119.6542 59.6218 31.8927 178.9010 31 R 3.8874 7.8737 117.2582 59.0417 30.0906 177.4842 32 A 4.1934 8.0026 117.9374 51.3336 19.5507 176.1689 33 N 4.1019 7.9529 114.8782 54.7845 37.7900 173.0581 34 L 4.9170 8.0503 115.6772 52.2371 45.9616 177.6106 35 S 4.6011 8.2473 115.1481 57.7064 65.6209 175.4129 36 K 4.1926 8.6425 121.9011 59.5719 31.8179 179.8373 37 G 3.8902 8.3200 105.4975 47.7782 0.0000 175.4563 38 A 4.0958 8.2354 123.0875 54.8260 18.3019 179.5729 39 F 4.0937 8.0561 119.2337 61.8132 39.3804 177.0641 40 Y 5.2112 8.3831 115.9851 59.9841 37.6872 177.7274 41 F 4.2830 8.2243 121.7253 61.1387 39.5440 176.0579 42 H 4.1982 7.5565 113.5444 55.4913 29.4522 175.6235 43 F 4.8963 7.6064 119.4041 55.5686 42.2041 175.7750 44 K 4.4668 9.4916 125.5458 58.5784 32.5049 177.2690 45 S 5.0142 7.8276 112.4772 56.2476 66.7050 175.3253 46 K 4.2422 8.8719 122.7513 59.6305 31.8850 178.2751 47 E 4.2495 8.4112 120.5941 58.9368 29.6836 178.4966 48 E 4.0857 8.5218 118.6196 59.1991 29.5627 179.0513 49 L 3.3980 8.0087 120.3471 58.2160 42.1946 179.0422 50 I 3.8818 7.9613 118.4600 64.2180 37.7430 177.9320 51 T 3.7661 7.8078 116.9079 66.5321 68.1731 176.1972 52 E 4.0168 8.4601 121.2769 59.1423 29.5204 178.8417 53 I 3.7249 7.7537 119.8681 64.5152 37.1749 178.4926 54 I 3.7067 7.7793 120.5035 64.3543 36.8941 178.0158 55 E 3.9976 8.5351 120.5495 59.5590 29.2894 179.1923 56 R 3.9440 8.3545 118.2649 59.4814 30.1788 179.1773 57 T 3.9170 7.8006 115.6529 66.5822 68.3805 176.4044 58 H 4.1827 8.6309 120.7844 59.2647 29.8071 177.4816 59 K 3.9561 8.3189 120.4111 59.3697 31.7758 179.4829 60 K 3.9576 7.7519 119.0057 59.2271 31.8771 179.5629 61 I 3.5511 7.4833 119.8506 64.2000 37.0147 178.3660 62 I 3.7765 8.0324 121.0806 64.6087 36.9723 178.5639 63 S 4.0888 8.2115 116.0370 61.4368 62.4919 176.3959 64 L 3.7669 7.8900 122.9353 58.2844 41.5164 179.1772 65 F 4.0154 7.6120 116.0573 60.5753 38.9230 177.2740 66 E 4.1851 8.2183 117.1519 59.3915 29.4170 178.7456 67 E 4.3333 8.5549 116.4463 57.4668 29.9429 176.9074 68 N 5.1101 7.7563 116.9356 52.6110 39.8983 176.4536 69 K 4.4259 8.4190 119.0702 59.2369 32.8205 177.1529 70 E 4.4986 8.0966 117.2932 56.2712 30.0234 176.1578 71 K 4.3990 7.8700 119.2694 55.6120 33.0972 177.4099 72 T 4.2624 8.1887 110.9144 61.1070 70.7017 173.5561 73 P 4.6666 0.0000 0.0000 66.0853 31.3322 178.8039 74 E 4.0474 8.0012 116.7493 59.6253 29.2396 179.1839 75 E 4.0078 8.0521 117.4630 59.0346 29.5872 178.7674 76 L 3.9680 8.0414 120.0442 58.1923 42.3606 178.8148 77 L 4.2142 8.2741 119.2237 57.4262 41.4683 179.5291 78 E 4.1474 8.1407 116.7271 56.6775 29.3753 178.2036 *80 F 4.7081 7.9908 120.5673 57.6633 41.2232 176.6926 81 L 3.8149 8.0633 121.8813 58.0836 41.6726 178.7303 82 E 3.9522 8.2915 118.5899 59.3576 29.3167 179.5525 83 V 3.5777 7.7228 117.6940 66.0569 31.5143 177.8180 84 L 3.9485 7.9004 117.5546 57.9467 41.5651 178.6879 85 Y 4.0056 8.3165 119.5916 60.7681 38.5692 178.1688 86 R 4.0268 8.1813 117.9493 58.7517 30.3975 177.6962 87 E 4.5308 8.1910 117.7695 56.2746 30.4556 178.5005 88 K 3.9474 7.6902 122.3771 60.0482 32.3512 178.6405 89 K 3.6066 7.6753 119.3613 59.1550 31.9525 179.2538 90 V 3.7751 7.6830 118.1867 65.7395 31.5229 178.0945 91 V 3.7037 7.8569 118.3040 66.0414 31.2663 177.3993 92 Y 4.0927 8.4492 119.3296 60.8699 38.7164 178.0773 93 I 4.1765 8.2549 122.1461 63.8495 37.2353 177.9453 94 F 4.2755 8.8783 121.9529 61.4106 39.1434 177.0236 95 L 3.3591 7.8670 119.5238 58.1871 41.7314 178.8584 96 F 4.3469 7.7458 116.0840 59.5107 39.1741 176.7658 97 D 4.7668 8.6609 117.9122 54.5958 41.6154 177.3472 98 L 4.4625 7.3637 117.2577 56.2561 43.1089 178.1047 99 L 3.2123 6.8932 118.9037 58.1737 41.9669 178.1697 100 C 4.1477 7.5275 114.4772 61.4334 28.3052 174.0906 101 S 4.5304 7.2949 114.0726 57.4103 64.3986 174.1097 102 E 4.1815 8.4421 120.0119 58.6706 29.9690 179.0560 103 K 3.8049 7.8437 118.3073 58.7003 32.4404 177.0883 104 F 5.0260 8.0652 115.3659 57.1423 39.7065 177.1694 105 R 3.9439 7.7536 122.3288 59.6319 29.6211 178.1225 106 N 4.5793 8.2710 116.2458 56.0478 37.2117 177.2253 107 I 3.7605 7.9127 122.1885 64.1871 37.3140 177.4171 108 Y 3.6265 7.9330 119.8973 60.9371 38.4164 178.3957 109 F 4.3562 8.1222 118.3291 60.3597 38.9545 177.6509 110 E 4.0372 8.5188 118.6736 59.4708 29.2971 179.5546 111 K 3.9271 8.3176 118.5696 59.3255 32.0528 179.6194 112 I 3.7390 7.7073 119.9461 64.3640 36.9900 178.0287 113 E 4.0325 8.5244 120.4432 59.3152 29.4366 178.4058 114 D 4.2992 8.3594 117.8851 57.2762 41.2494 178.0480 115 A 4.0339 8.2166 121.3724 55.0106 18.3464 179.5100 116 K 4.0817 8.6305 118.5875 59.7886 32.3032 179.2315 117 R 3.9403 8.3862 118.7253 59.4162 30.0042 179.3382 118 R 3.6857 7.9235 117.8088 58.9548 29.8435 178.9061 119 F 4.5875 8.2089 120.7266 61.3571 39.0584 176.9740 120 E 3.8290 8.6469 118.6609 59.3727 29.0682 179.4056 121 K 3.9361 7.8923 117.1127 59.5093 32.0181 178.7423 122 F 4.3371 8.3258 120.7437 61.4408 39.4106 177.0972 123 L 4.1563 8.2246 118.0491 57.1278 41.5228 179.0483 124 E 4.0722 8.1345 118.7025 58.5747 29.0280 179.2558 125 K 3.7728 7.3161 117.1542 59.3476 32.3050 178.1479 126 H 4.5411 7.6819 111.8521 55.0915 31.1990 174.4893 127 F 4.8891 8.0969 119.5487 54.9636 38.7488 173.5080 128 P 4.7919 0.0000 0.0000 65.5029 31.2864 179.3008 129 S 4.1422 8.0731 112.4904 59.3870 63.1161 174.7519 130 K 4.4875 7.6017 118.6153 55.7017 33.6732 177.7630 131 A 3.9721 8.2902 122.2703 55.3064 17.7222 179.5346 132 E 4.1891 8.0182 117.6896 59.0904 29.6311 179.6049 133 I 3.7533 7.6321 119.1744 64.4801 37.2880 178.3725 134 L 3.9737 8.3049 120.4927 57.6654 41.3234 179.7631 135 S 4.3830 8.2425 114.4299 61.4564 62.9148 176.5380 136 E 4.0316 7.9624 121.0229 59.1873 29.1869 179.2752 137 I 3.7441 7.8258 119.6700 64.6494 37.1556 178.6962 138 I 3.9907 8.3588 120.9488 64.4842 36.9357 178.5908 139 L 4.1486 8.5549 120.1724 57.6069 41.3618 179.7976 140 G 3.6719 8.3837 105.8097 47.7808 0.0000 175.5454 141 F 4.4316 8.6636 123.7381 60.9708 39.4460 176.9547 142 L 3.5662 8.2459 120.3182 58.1359 41.7963 179.1738 143 R 3.8947 8.2036 118.2128 59.1023 29.9833 178.7548 144 Q 4.0168 8.3505 119.5583 59.3227 29.0083 178.4924 145 L 4.2003 7.9818 119.9507 57.8524 41.5448 179.6625 146 I 3.7801 7.8928 119.8525 64.2255 36.9852 178.1936 147 L 3.8827 8.3182 121.6504 58.3864 42.0027 178.4885 148 H 4.1205 8.2757 115.5123 56.9584 28.7906 176.1925 149 Y 5.1661 8.0699 116.2070 57.7036 38.9189 176.7282 150 V 4.1955 7.9132 118.2018 64.5772 33.8579 176.7459 151 I 4.2065 8.1213 119.1318 64.2039 37.3851 177.3455 152 K 4.0950 8.2886 120.2026 58.8151 32.1852 176.1514 153 E 4.6908 7.6436 116.6133 54.3023 32.7421 174.7461 154 E 4.4776 8.9474 127.6999 55.4200 29.2479 175.7547 155 R 4.4784 8.9642 126.0013 55.0539 31.6584 176.5018 156 E 4.5664 8.5537 119.2066 55.1756 30.5919 177.8391 157 L 3.3111 8.0515 122.6238 57.9115 41.8220 177.6463 158 P 4.1472 0.0000 0.0000 65.4190 31.2112 178.2930 159 F 4.0500 7.9886 119.4376 61.3084 39.2697 177.2259 160 L 3.7869 7.8967 118.0952 57.6901 41.4202 179.5176 161 K 3.8669 8.2382 118.8125 59.1773 31.9416 179.0216 162 E 3.8267 8.1010 119.6031 59.1441 29.5611 178.9639 163 K 3.8129 7.4903 118.4455 59.2942 31.9977 179.0562 164 L 3.8623 8.0113 120.7540 58.0942 42.0536 178.7098 165 R 3.9361 8.2722 119.0439 59.8223 29.9728 178.3176 166 E 4.1281 8.4011 118.2672 59.3148 29.4379 179.6568 167 G 3.4391 8.3547 105.9383 47.6997 0.0000 175.8950 168 L 4.1973 8.5919 121.8304 57.2914 41.4218 179.4199 169 K 4.0420 8.0901 119.0025 59.4191 32.2264 178.2860 170 L 4.0838 7.6706 119.3933 58.1524 42.0880 178.7467 171 I 3.6471 7.4698 118.3820 64.2481 37.1511 176.6796 172 F 4.5689 8.3301 121.8294 57.7131 39.0552 175.4753 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 2 G 8.21 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 3 T 8.52 3.68 4.29 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 1.28 0.00 0.00 4 K 8.59 3.80 0.00 1.39 1.68 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.52 1.16 7.81 5 E 8.10 3.98 0.00 2.36 1.99 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 2.40 2.47 0.00 6 R 8.10 3.95 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 7 I 8.03 3.75 2.23 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 1.03 0.00 0.00 8 L 8.21 3.92 0.00 1.88 1.74 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.32 3.92 0.00 2.10 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 2.54 2.44 0.00 10 V 7.89 3.55 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 1.10 0.00 0.00 0.97 0.00 0.00 11 S 8.14 3.55 0.00 3.60 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 12 K 8.03 4.05 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.65 7.81 13 E 8.08 4.02 0.00 2.14 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 2.46 2.47 0.00 14 L 8.01 4.01 0.00 1.48 1.70 0.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.42 4.81 0.00 3.18 3.13 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 0.00 0.00 0.00 16 F 8.39 4.32 0.00 3.08 3.35 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 17 E 8.29 3.95 0.00 2.12 1.95 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 2.63 2.48 0.00 18 K 8.18 4.46 0.00 1.77 1.79 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.40 7.81 19 G 8.70 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 0.00 0.00 0.00 20 Y 9.27 3.30 0.00 2.50 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 21 Q 8.34 3.99 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 22 G 7.50 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 23 T 7.68 4.81 4.59 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 0.00 0.00 0.00 1.25 0.00 0.00 24 S 8.61 4.72 0.00 3.99 3.92 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 0.00 0.00 0.00 0.00 25 V 7.96 3.18 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 0.13 0.00 0.00 0.56 0.00 0.00 26 E 7.99 3.83 0.00 2.08 1.89 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 2.36 2.44 0.00 27 E 8.14 3.97 0.00 2.15 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 2.30 2.31 0.00 28 I 7.56 3.60 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.88 0.00 0.00 29 V 7.85 3.69 2.32 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 0.71 0.00 0.00 0.97 0.00 0.00 30 K 8.06 3.88 0.00 2.11 1.93 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 31 R 7.87 3.89 0.00 1.85 2.12 0.00 3.34 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 32 A 8.00 4.19 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 33 N 7.95 4.10 0.00 2.85 2.85 0.00 0.00 6.91 7.81 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 34 L 8.05 4.92 0.00 1.67 1.58 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.25 4.60 0.00 4.10 4.02 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 36 K 8.64 4.19 0.00 1.97 2.23 0.00 1.75 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.59 1.56 7.81 37 G 8.32 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 38 A 8.24 4.10 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.06 4.09 0.00 3.08 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 40 Y 8.38 5.21 0.00 3.20 3.13 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 0.00 0.00 0.00 41 F 8.22 4.28 0.00 3.08 3.15 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 42 H 7.56 4.20 0.00 2.85 2.35 0.00 5.65 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 43 F 7.61 4.90 0.00 2.07 2.82 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 44 K 9.49 4.47 0.00 2.03 1.99 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.56 7.81 45 S 7.83 5.01 0.00 4.23 4.13 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 0.00 0.00 0.00 46 K 8.87 4.24 0.00 1.98 2.05 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.51 1.57 7.81 47 E 8.41 4.25 0.00 2.39 2.15 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 2.55 2.57 0.00 48 E 8.52 4.09 0.00 2.47 2.23 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 2.45 2.46 0.00 49 L 8.01 3.40 0.00 1.34 1.98 0.16 1.10 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 50 I 7.96 3.88 1.82 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.15 0.27 0.00 0.00 51 T 7.81 3.77 4.40 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 1.22 0.00 0.00 52 E 8.46 4.02 0.00 2.36 2.26 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 2.61 2.53 0.00 53 I 7.75 3.72 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.99 0.00 0.00 54 I 7.78 3.71 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.95 0.97 0.00 0.00 55 E 8.54 4.00 0.00 2.25 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 0.00 2.34 2.44 0.00 56 R 8.35 3.94 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 57 T 7.80 3.92 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 1.14 0.00 0.00 58 H 8.63 4.18 0.00 3.17 3.47 0.00 5.61 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 59 K 8.32 3.96 0.00 1.98 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.56 7.81 60 K 7.75 3.96 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.62 7.81 61 I 7.48 3.55 2.06 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 1.73 0.87 0.79 0.00 0.00 62 I 8.03 3.78 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.89 0.00 0.00 63 S 8.21 4.09 0.00 3.97 4.04 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 64 L 7.89 3.77 0.00 1.59 1.49 0.77 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.61 4.02 0.00 3.18 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 66 E 8.22 4.19 0.00 2.08 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 0.00 2.38 2.56 0.00 67 E 8.55 4.33 0.00 1.88 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 2.33 2.45 0.00 68 N 7.76 5.11 0.00 2.72 2.67 0.00 0.00 6.61 6.90 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 69 K 8.42 4.43 0.00 2.08 2.26 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.56 7.81 70 E 8.10 4.50 0.00 2.03 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 0.00 2.31 2.29 0.00 71 K 7.87 4.40 0.00 1.91 1.80 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.52 7.81 72 T 8.19 4.26 4.39 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 1.23 0.00 0.00 73 P 0.00 4.67 0.00 1.37 2.29 0.00 3.49 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.41 0.00 74 E 8.00 4.05 0.00 2.06 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 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0.00 1.73 1.67 0.37 0.71 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 85 Y 8.32 4.01 0.00 3.20 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 86 R 8.18 4.03 0.00 1.98 1.99 0.00 3.22 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 87 E 8.19 4.53 0.00 1.92 1.89 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 2.38 2.42 0.00 88 K 7.69 3.95 0.00 1.88 1.84 0.00 1.03 0.00 0.00 0.65 0.00 0.00 2.65 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.18 1.17 7.81 89 K 7.68 3.61 0.00 1.56 1.57 0.00 1.35 0.00 0.00 1.27 0.00 0.00 2.55 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.83 7.81 90 V 7.68 3.78 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 0.97 0.00 0.00 0.94 0.00 0.00 91 V 7.86 3.70 2.30 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 1.00 0.00 0.00 0.98 0.00 0.00 92 Y 8.45 4.09 0.00 3.53 3.54 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 101 S 7.29 4.53 0.00 3.91 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 0.00 102 E 8.44 4.18 0.00 1.93 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 2.31 2.19 0.00 103 K 7.84 3.80 0.00 1.36 1.04 0.00 1.43 0.00 0.00 0.87 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.68 1.18 7.81 104 F 8.07 5.03 0.00 2.98 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 0.00 105 R 7.75 3.94 0.00 2.16 2.01 0.00 3.21 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 106 N 8.27 4.58 0.00 3.05 3.15 0.00 0.00 6.28 7.66 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 0.00 107 I 7.91 3.76 2.05 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 1.48 0.67 0.97 0.00 0.00 108 Y 7.93 3.63 0.00 2.49 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 0.00 109 F 8.12 4.36 0.00 3.25 3.09 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 0.00 110 E 8.52 4.04 0.00 2.27 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 2.39 2.53 0.00 111 K 8.32 3.93 0.00 1.95 1.76 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.65 7.81 112 I 7.71 3.74 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.21 0.98 0.00 0.00 113 E 8.52 4.03 0.00 2.22 2.23 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 2.35 2.40 0.00 114 D 8.36 4.30 0.00 2.87 2.82 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 0.00 115 A 8.22 4.03 1.55 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 0.00 116 K 8.63 4.08 0.00 2.03 2.04 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.66 7.81 117 R 8.39 3.94 0.00 2.01 1.94 0.00 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3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.48 7.81 126 H 7.68 4.54 0.00 2.41 2.53 0.00 5.64 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.10 4.89 0.00 3.15 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 0.00 128 P 0.00 4.79 0.00 2.20 2.40 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 129 S 8.07 4.14 0.00 3.91 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 0.00 130 K 7.60 4.49 0.00 2.06 1.79 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.40 7.81 131 A 8.29 3.97 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 0.00 132 E 8.02 4.19 0.00 2.07 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 0.00 2.40 2.49 0.00 133 I 7.63 3.75 1.97 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 1.63 0.92 0.89 0.00 0.00 134 L 8.30 3.97 0.00 1.72 1.60 0.67 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.24 4.38 0.00 4.24 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 0.00 136 E 7.96 4.03 0.00 2.23 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 0.00 2.54 2.52 0.00 137 I 7.83 3.74 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.86 0.00 0.00 138 I 8.36 3.99 2.49 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.90 1.16 0.00 0.00 139 L 8.55 4.15 0.00 1.92 1.82 1.12 0.84 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 0.00 140 G 8.38 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 0.00 141 F 8.66 4.43 0.00 3.06 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 0.00 142 L 8.25 3.57 0.00 1.65 1.62 0.59 0.09 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 0.00 143 R 8.20 3.89 0.00 2.09 1.99 0.00 3.23 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 144 Q 8.35 4.02 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 145 L 7.98 4.20 0.00 1.75 1.77 0.29 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.89 3.78 1.85 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 1.55 0.78 0.93 0.00 0.00 147 L 8.32 3.88 0.00 1.77 1.80 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.28 4.12 0.00 2.63 2.60 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.07 5.17 0.00 3.31 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 0.00 150 V 7.91 4.20 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 0.84 0.00 0.00 1.11 0.00 0.00 151 I 8.12 4.21 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 1.15 0.00 0.00 152 K 8.29 4.10 0.00 1.62 2.02 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.39 7.81 153 E 7.64 4.69 0.00 2.07 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 0.00 2.26 2.26 0.00 154 E 8.95 4.48 0.00 2.10 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 2.35 2.41 0.00 155 R 8.96 4.48 0.00 2.03 1.82 0.00 3.32 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.00 156 E 8.55 4.57 0.00 2.05 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 2.45 2.29 0.00 157 L 8.05 3.31 0.00 0.27 1.20 0.57 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.15 0.00 2.19 2.06 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 159 F 7.99 4.05 0.00 3.01 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 0.00 160 L 7.90 3.79 0.00 1.85 1.67 1.26 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.24 3.87 0.00 1.68 1.78 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.41 7.81 162 E 8.10 3.83 0.00 2.02 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 2.19 2.29 0.00 163 K 7.49 3.81 0.00 1.69 1.74 0.00 1.49 0.00 0.00 0.96 0.00 0.00 2.53 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.60 0.55 7.81 164 L 8.01 3.86 0.00 1.54 1.71 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.27 3.94 0.00 1.95 2.11 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 166 E 8.40 4.13 0.00 2.05 1.99 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 2.45 2.46 0.00 167 G 8.35 3.44 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 0.00 168 L 8.59 4.20 0.00 1.88 2.09 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.09 4.04 0.00 1.88 2.06 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 170 L 7.67 4.08 0.00 1.75 1.78 0.85 1.06 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 0.00 171 I 7.47 3.65 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.25 0.00 0.00 172 F 8.33 4.57 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.