NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.9356 8.3544 109.7433 45.6053 0.0000 171.7160 12 Y 4.5049 7.8113 120.6860 56.0582 39.9654 175.0739 13 D 4.0066 8.4912 127.5090 55.2615 40.5192 173.6968 14 E 4.0455 7.6279 119.9779 58.7002 30.2001 176.8657 15 E 4.1547 7.9024 121.9670 57.6078 30.2437 179.9875 16 K 4.2587 7.9891 120.9821 57.7084 33.1454 181.1849 17 V 3.6718 7.5038 119.1958 65.9800 31.5912 177.4570 18 N 4.6248 7.8325 113.6081 54.3320 38.3802 176.9861 19 R 4.0029 7.9272 121.7523 59.3033 30.1447 178.2701 20 I 3.7113 8.0026 120.0111 64.0702 37.3043 178.2876 21 Q 4.1809 8.6235 121.0154 59.0820 28.9357 178.0398 22 G 4.3681 7.7411 104.8649 45.5576 0.0000 173.6511 23 D 4.0728 8.3970 121.5273 55.2686 40.6104 176.3834 24 L 4.1326 6.0235 126.5146 55.1853 42.3542 178.1648 25 Q 4.1634 7.7862 119.2626 55.4535 26.3804 181.1940 26 T 3.5559 8.0171 109.9580 61.8277 68.9699 173.1591 27 V 4.5603 7.2266 113.4409 59.0727 35.7355 174.8063 28 D 4.6899 8.3273 118.6055 54.4280 41.7045 178.0185 29 I 3.8627 7.8847 120.0253 63.4463 37.3023 177.1286 30 S 4.1503 8.0328 114.4757 60.8349 62.2959 176.0627 31 G 3.6156 8.9810 111.0339 46.0757 0.0000 175.5458 32 V 3.5801 7.8445 121.0534 66.0543 31.3060 177.8289 33 S 4.1667 7.5736 114.0264 62.0929 62.7827 176.9256 34 Q 4.0579 8.0164 120.1847 58.4296 28.4797 178.7648 35 I 3.8445 7.8677 121.2229 64.3518 37.2802 178.2608 36 L 4.0517 8.4341 122.6960 58.3176 41.3433 180.2527 37 K 3.9071 8.4372 123.7492 59.7679 31.3581 180.7757 38 A 4.1910 7.4408 120.5845 55.2899 18.4821 179.6507 39 I 3.8217 7.5453 116.5212 64.3299 37.2090 178.2778 40 A 4.1165 7.8614 121.0616 53.7772 18.6618 177.7744 41 D 4.2773 7.4842 119.1767 55.5642 42.0224 177.8905 42 E 4.0493 8.9532 125.5414 61.4089 29.3814 176.0833 43 N 4.6449 7.9984 115.5194 55.2323 38.6509 177.0849 44 R 4.2652 7.7903 118.3278 57.4322 30.7717 178.3763 45 A 4.0326 8.3946 121.5535 54.9149 18.4354 179.4987 46 K 3.9144 7.9530 116.9993 59.9656 32.2752 179.5148 47 I 3.7435 7.3454 118.5150 64.6921 36.7719 178.7393 48 T 3.9262 7.5868 115.0941 66.8297 68.6914 176.0222 49 Y 4.1147 8.6049 121.6904 60.4548 38.7095 177.7815 50 A 3.9497 8.1692 121.9721 54.7589 18.2986 178.8452 51 L 4.3570 7.4208 114.4190 56.1242 42.1106 178.1393 52 C 4.2714 7.4370 115.5412 60.9719 28.3037 174.5725 53 Q 4.2574 7.7621 119.4215 56.1502 29.6896 175.7273 54 D 4.7793 7.2004 117.0408 52.3110 45.0056 175.2138 55 E 4.1141 8.8698 123.6314 58.3908 30.1133 176.0858 56 E 5.7655 7.8524 116.3835 53.4885 33.1430 175.3248 57 L 5.1122 8.4733 122.1792 53.2554 46.9165 175.7622 58 C 4.9202 8.6522 117.6536 56.9753 32.0998 175.0144 59 V 3.6744 8.5969 118.4153 65.2208 30.7058 177.9339 60 C 4.0939 8.1353 116.8683 62.6142 28.0230 175.3083 61 D 4.4129 8.2288 119.8256 57.7981 40.2810 179.1805 62 I 3.6824 7.6909 118.9912 64.2212 37.0646 178.3111 63 A 4.2212 8.0313 121.5660 55.2055 18.0257 178.9786 64 N 4.2326 8.2383 114.3438 57.0472 39.0885 176.6238 65 I 3.8665 8.0161 119.8049 64.6159 37.3267 178.2782 66 L 4.1764 8.7534 119.5902 55.3667 41.7126 177.2551 67 G 3.7848 9.0111 106.5967 46.5884 0.0000 173.1539 68 V 4.5778 7.3380 110.2470 58.8633 36.4301 175.6662 69 T 4.0695 8.2010 110.7194 61.5682 69.0435 175.4793 70 I 3.7762 8.4508 123.9967 64.0669 37.1097 177.9306 71 A 4.2436 7.7709 120.5336 55.5333 19.3378 178.1264 72 N 3.9578 8.1436 112.8613 56.1024 39.4979 173.3223 73 A 4.5646 7.1842 127.5087 51.5208 19.4298 176.1276 74 S 4.6851 7.4556 119.7184 58.3452 70.0800 178.2765 75 H 4.1408 8.3598 117.9214 59.1948 28.4108 177.1874 76 H 4.1536 8.1589 117.2557 59.2755 28.6358 177.4627 77 L 3.9076 8.0805 122.2821 58.5035 41.2645 180.5167 78 R 4.1114 8.1626 120.4751 61.7643 28.7608 180.8478 79 T 4.0740 8.2418 117.2980 66.7003 68.4610 176.6660 80 L 4.2895 8.0288 120.7054 57.8891 41.5376 178.9652 81 Y 4.3056 8.2420 120.9358 59.7779 38.6243 177.3117 82 K 3.8370 8.7941 120.4639 58.7829 32.2460 177.5208 83 Q 4.4928 7.2611 115.8342 54.9101 29.7114 176.4752 84 G 3.8074 8.1678 109.7551 45.0983 0.0000 175.5946 85 V 3.6491 7.7774 120.6562 65.3472 32.3975 176.2635 86 V 5.1005 7.8112 111.8822 59.5099 35.8626 174.5127 87 N 5.2674 9.2538 122.3690 52.1442 42.2475 173.4635 88 F 5.3595 7.6032 116.3754 54.9901 40.4398 174.7477 *95 A 3.7701 8.3958 122.8724 53.0864 18.1633 175.0304 96 L 4.8252 7.7712 121.5268 53.7007 43.0361 174.7788 97 Y 5.0765 9.0631 122.7366 56.8002 39.7900 174.8113 98 S 5.1698 8.8121 115.1542 57.2257 65.5996 173.5207 99 L 4.2481 8.7593 120.7939 55.3252 41.9081 178.7240 100 G 4.3014 9.0531 110.5189 47.0386 0.0000 173.4967 101 G 4.1010 6.9068 107.2522 44.6945 0.0000 173.0740 102 E 3.9721 8.1337 117.6515 59.0761 29.2784 179.0156 103 A 3.9652 8.1863 120.5534 55.6607 18.2356 179.6839 104 I 3.7090 7.6360 117.6934 64.2772 37.2183 178.4930 105 R 3.8902 7.9493 119.0765 59.5709 29.8025 178.1659 106 Q 3.9560 8.2338 117.7500 59.1619 28.6948 178.7050 107 I 3.9903 7.7443 120.5570 64.8604 37.0921 177.7921 108 M 4.0354 8.0808 118.3539 59.2917 31.7534 178.2471 109 M 4.1615 8.6014 118.9348 58.3705 32.1939 178.9290 110 I 3.7810 8.8623 121.0657 64.3565 37.3891 178.3636 111 A 4.0546 8.3926 121.9391 55.0547 17.6216 179.6439 112 L 4.0004 7.8678 117.3879 57.2402 41.4475 179.4313 113 A 4.0981 7.4557 121.3580 55.9380 18.8548 179.2582 *114 H 4.4607 7.7816 119.3457 60.6478 28.0167 179.3278 115 K 4.3290 8.0639 126.7191 59.4726 31.7050 179.5783 116 K 4.2851 7.8208 131.0888 55.8518 31.2374 179.1103 117 E 4.8143 8.5087 125.4556 56.2900 30.0412 176.8037 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 11 G 8.35 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 12 Y 7.81 4.50 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.49 4.01 0.00 1.58 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 14 E 7.63 4.05 0.00 2.06 1.90 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 2.37 2.38 0.00 15 E 7.90 4.15 0.00 2.07 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 2.36 2.33 0.00 16 K 7.99 4.26 0.00 1.71 1.80 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.31 7.81 17 V 7.50 3.67 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 0.81 0.00 0.00 0.97 0.00 0.00 18 N 7.83 4.62 0.00 2.75 2.82 0.00 0.00 6.76 8.87 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 19 R 7.93 4.00 0.00 1.89 2.06 0.00 3.08 0.00 0.00 3.15 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 20 I 8.00 3.71 1.96 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 1.40 0.75 0.91 0.00 0.00 21 Q 8.62 4.18 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 22 G 7.74 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 23 D 8.40 4.07 0.00 2.83 2.54 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 24 L 6.02 4.13 0.00 1.71 1.84 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.79 4.16 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.08 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 26 T 8.02 3.56 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 1.25 0.00 0.00 27 V 7.23 4.56 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 0.75 0.00 0.00 0.96 0.00 0.00 28 D 8.33 4.69 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.88 3.86 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 1.52 0.95 0.91 0.00 0.00 30 S 8.03 4.15 0.00 3.88 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 31 G 8.98 3.62 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 0.00 32 V 7.84 3.58 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 1.06 0.00 0.00 0.96 0.00 0.00 33 S 7.57 4.17 0.00 4.20 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 34 Q 8.02 4.06 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 35 I 7.87 3.84 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.97 0.90 0.00 0.00 36 L 8.43 4.05 0.00 1.75 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.44 3.91 0.00 1.74 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 38 A 7.44 4.19 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 39 I 7.55 3.82 1.88 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 0.72 0.93 0.00 0.00 40 A 7.86 4.12 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 41 D 7.48 4.28 0.00 2.91 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 42 E 8.95 4.05 0.00 2.01 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 2.31 1.97 0.00 43 N 8.00 4.64 0.00 2.84 2.56 0.00 0.00 6.97 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 44 R 7.79 4.27 0.00 2.02 2.03 0.00 3.17 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 45 A 8.39 4.03 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 46 K 7.95 3.91 0.00 1.99 1.92 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.86 7.81 47 I 7.35 3.74 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.99 0.87 0.00 0.00 48 T 7.59 3.93 4.45 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 1.25 0.00 0.00 49 Y 8.60 4.11 0.00 3.16 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 50 A 8.17 3.95 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 51 L 7.42 4.36 0.00 1.82 1.74 0.98 0.93 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 52 C 7.44 4.27 0.00 2.77 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 53 Q 7.76 4.26 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.60 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 54 D 7.20 4.78 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.87 4.11 0.00 2.00 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 2.39 2.34 0.00 56 E 7.85 5.77 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 57 L 8.47 5.11 0.00 1.61 1.54 0.94 0.93 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 58 C 8.65 4.92 0.00 2.99 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 59 V 8.60 3.67 2.22 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 0.92 0.00 0.00 0.93 0.00 0.00 60 C 8.14 4.09 0.00 3.00 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 61 D 8.23 4.41 0.00 2.99 2.76 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 62 I 7.69 3.68 1.86 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 1.41 0.72 0.88 0.00 0.00 63 A 8.03 4.22 1.42 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 0.00 0.00 64 N 8.24 4.23 0.00 2.93 3.02 0.00 0.00 7.34 7.52 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 65 I 8.02 3.87 2.03 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 1.54 0.66 0.94 0.00 0.00 66 L 8.75 4.18 0.00 1.73 1.73 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.01 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 68 V 7.34 4.58 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 0.87 0.00 0.00 0.95 0.00 0.00 69 T 8.20 4.07 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 1.22 0.00 0.00 70 I 8.45 3.78 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 1.58 0.54 0.92 0.00 0.00 71 A 7.77 4.24 1.29 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 0.00 0.00 72 N 8.14 3.96 0.00 2.96 2.82 0.00 0.00 6.93 8.52 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 73 A 7.18 4.56 1.34 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 0.00 0.00 74 S 7.46 4.69 0.00 4.05 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 75 H 8.36 4.14 0.00 3.28 3.22 0.00 5.64 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 76 H 8.16 4.15 0.00 3.23 3.34 0.00 5.83 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 77 L 8.08 3.91 0.00 1.58 1.15 0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.16 4.11 0.00 1.82 1.93 0.00 3.28 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 1.56 1.54 0.00 79 T 8.24 4.07 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 1.24 0.00 0.00 80 L 8.03 4.29 0.00 1.89 1.76 0.98 0.88 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 81 Y 8.24 4.31 0.00 3.29 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 82 K 8.79 3.84 0.00 2.00 1.86 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.69 7.81 83 Q 7.26 4.49 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.41 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 84 G 8.17 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 85 V 7.78 3.65 2.20 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 0.94 0.00 0.00 0.93 0.00 0.00 86 V 7.81 5.10 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.12 0.00 0.00 87 N 9.25 5.27 0.00 2.75 2.68 0.00 0.00 6.71 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 88 F 7.60 5.36 0.00 2.81 2.57 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 *95 A 8.40 3.77 1.03 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 0.00 0.00 96 L 7.77 4.83 0.00 1.43 1.46 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.06 5.08 0.00 3.08 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 98 S 8.81 5.17 0.00 3.90 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 99 L 8.76 4.25 0.00 1.68 1.66 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.05 4.30 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 0.00 101 G 6.91 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 0.00 102 E 8.13 3.97 0.00 1.99 2.01 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 2.40 2.32 0.00 103 A 8.19 3.97 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 I 7.64 3.71 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 1.41 1.39 0.93 0.00 0.00 105 R 7.95 3.89 0.00 1.87 2.06 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 106 Q 8.23 3.96 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 107 I 7.74 3.99 2.08 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 1.41 0.80 0.92 0.00 0.00 108 M 8.08 4.04 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.78 0.00 109 M 8.60 4.16 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.87 0.00 110 I 8.86 3.78 1.88 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 1.56 1.30 0.92 0.00 0.00 111 A 8.39 4.05 1.31 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 0.00 0.00 112 L 7.87 4.00 0.00 1.67 1.70 1.03 0.83 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 0.00 113 A 7.46 4.10 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 *114 H 7.78 4.46 0.00 3.06 3.03 0.00 7.19 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.06 4.33 0.00 1.87 1.62 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.34 7.81 116 K 7.82 4.29 0.00 1.81 1.69 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.25 7.81 117 E 8.51 4.81 0.00 2.08 1.86 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 2.14 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.