NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 I 4.1295 7.8676 121.4464 61.7431 38.4509 175.3358 -5 H 4.5587 8.5919 119.2971 53.8712 28.8714 172.9018 -4 H 4.8463 8.1410 114.9385 54.1491 32.5821 173.6817 -3 H 4.6430 8.3538 116.6126 55.4115 29.5515 176.3193 -2 H 4.3577 8.9805 122.2786 58.6625 30.2802 174.7500 -1 H 5.0482 8.0352 117.6590 54.6514 30.7055 171.9773 0 H 4.3815 7.8050 124.1102 54.9413 32.1509 173.5193 -4 F 4.7363 8.0210 117.0385 56.8491 43.1820 175.3817 -3 Y 4.4630 8.0538 118.7126 58.3115 38.3515 178.1193 -2 E 3.9777 8.9805 124.2786 60.2625 31.1802 177.2500 -1 I 4.4882 7.6152 119.3590 60.7514 40.5055 174.2773 0 R 3.9915 7.6150 126.4102 55.9413 34.0509 175.7193 7 T 4.9520 8.9826 120.5071 61.9068 71.9572 172.5367 8 Y 5.5017 9.0163 124.2293 56.2293 41.6459 174.6102 9 R 4.8357 9.0898 124.5655 54.9956 31.5931 175.6942 10 L 4.8630 8.9199 127.1415 53.2629 43.5160 176.5976 11 K 4.1748 8.8654 121.9263 56.0836 33.1478 175.6335 12 N 4.6114 8.7888 125.3361 55.5086 39.1124 174.8814 13 G 3.9131 9.3623 113.7042 45.9602 0.0000 174.2140 14 A 4.3062 8.0628 120.9940 52.7771 18.6107 179.4992 15 I 3.6599 7.7328 118.9837 64.0333 37.2339 176.2605 16 P 4.1562 0.0000 0.0000 65.5196 31.2587 178.5149 17 A 4.0106 7.9911 119.0957 55.1739 18.2924 178.8491 18 Y 3.9769 8.3362 118.1309 61.0689 38.9512 178.4338 19 L 4.0406 8.5071 120.2564 57.3817 41.6373 179.4727 20 K 3.8914 8.0664 120.0049 59.6170 32.2072 179.3694 21 V 3.7101 7.7304 119.3348 64.5044 31.2968 178.4449 22 V 3.5111 7.8762 119.0649 65.7067 31.1462 177.4037 23 E 3.7863 7.8773 117.5866 59.6937 29.5610 178.3244 24 D 4.5434 8.0103 116.9859 56.2921 41.0905 177.0806 25 E 4.6712 8.5090 115.4385 54.7919 32.0806 176.9992 26 G 2.8503 7.5416 104.1038 45.4521 0.0000 175.0565 27 I 3.7617 7.8388 121.1609 63.7445 37.9593 177.8956 28 E 3.9614 8.0326 119.1481 59.3302 29.4896 179.1343 29 I 3.6827 7.6614 119.3672 64.3355 37.2138 178.0625 30 Q 3.3300 8.1265 120.3267 59.0310 28.8194 178.4497 31 K 4.2716 8.5092 120.1180 59.5379 31.8851 179.3320 32 S 4.1150 7.9122 113.2374 60.6270 62.8510 175.3217 33 H 4.5970 7.2208 117.7712 57.8429 29.6677 176.8463 34 L 4.1380 7.6601 119.1309 53.8246 41.6977 178.0926 35 G 3.9497 8.9420 105.8043 44.6529 0.0000 176.6578 36 E 4.3242 9.0132 129.4800 54.7569 29.4705 173.7679 37 L 3.1921 8.1194 126.2695 54.8738 42.2784 176.0775 38 V 3.9522 8.3829 127.1268 64.6828 32.5030 175.9739 39 G 3.9109 7.2663 104.4291 45.5355 0.0000 171.7526 40 Y 4.7156 7.0586 121.9928 56.0448 41.3517 173.9918 41 F 5.3774 9.4214 125.4990 55.7110 43.6520 173.8548 42 F 5.7767 8.4589 114.8505 54.9442 41.2522 174.3969 43 S 4.3888 8.8531 114.5844 58.4967 63.4037 172.8994 44 E 4.4760 8.8881 120.6555 57.2765 31.3797 176.0440 45 I 4.5718 8.1041 117.3824 59.2893 40.9851 173.0386 46 G 3.9540 8.8882 113.3113 43.2121 0.0000 172.3012 47 P 4.2931 0.0000 0.0000 62.8698 31.8188 175.9239 48 I 4.2841 8.1313 122.9275 61.2208 38.8328 174.7571 49 N 4.2845 8.6529 116.8073 54.4745 36.0331 173.0272 50 E 5.1716 8.3389 118.8416 54.6805 32.1918 174.3845 51 I 5.1304 8.6785 126.9769 59.5495 40.3417 174.6745 52 V 5.4919 8.8221 126.0942 61.4033 34.3122 173.8987 53 H 5.1639 8.4853 122.1792 53.7240 31.8209 172.6588 54 I 5.7228 8.3123 120.2484 59.6440 40.6879 174.5312 55 W 5.1529 9.0110 124.7997 54.7187 32.7631 174.3111 56 A 5.0356 8.3241 124.4009 50.2076 20.4742 176.1281 57 F 5.0589 8.3293 119.3393 55.6780 42.4373 175.5931 58 S 4.4194 9.1412 116.3562 60.7505 63.7654 174.6668 59 S 4.6353 7.5703 114.1927 56.2891 66.5426 175.2348 60 L 3.6864 7.7540 122.4712 57.5538 41.3814 179.4514 61 D 4.2404 7.8205 118.8195 57.1163 40.7327 178.0089 62 D 4.2372 8.0379 118.7492 57.1054 41.1528 177.9764 63 R 3.0794 7.8182 119.1043 59.2745 29.8555 178.2203 64 A 3.7986 7.7630 120.2027 55.2287 18.3351 179.5064 65 E 3.8813 8.0778 117.0456 59.4578 29.4606 179.8383 66 R 3.8613 8.0684 118.2343 59.4088 29.9472 179.4100 67 R 3.7453 7.8823 116.6127 58.8804 30.0327 178.6374 68 A 4.0910 7.7612 119.9627 55.2817 18.4626 179.6072 69 R 4.0024 7.6491 115.4169 59.0131 30.4500 179.2379 70 L 3.3301 7.6295 116.1214 56.0392 41.7163 178.1733 *72 A 4.2388 7.8947 120.1229 51.2734 20.5615 177.5152 73 D 4.5694 7.7970 116.1741 53.0630 41.9998 175.0781 74 P 4.3553 0.0000 0.0000 65.8625 31.2156 178.5685 75 R 4.0481 8.7633 118.6435 58.6904 29.8495 178.5692 76 W 4.5087 8.1501 127.8597 60.3323 30.7444 178.1147 77 L 3.9305 8.1393 118.2423 57.4782 41.0822 179.1514 78 S 4.2724 8.0296 113.1741 60.4267 63.3985 175.9511 79 F 4.1541 7.5285 124.3215 60.9053 39.1268 176.8939 80 L 3.2850 7.3821 118.6657 57.5164 41.1718 177.8410 81 P 4.0867 0.0000 0.0000 65.1158 31.2682 178.1317 82 K 4.0183 7.6106 116.5173 57.5457 32.3114 177.4077 83 I 4.4753 6.8088 110.5557 60.2748 39.2714 177.4539 84 R 3.9680 7.9333 117.2695 58.3526 29.4155 177.0766 85 D 4.6408 7.8072 116.5478 54.8575 41.8540 177.3485 86 L 4.1811 7.6983 119.4200 56.9003 42.1459 176.8300 87 I 4.3300 7.5615 120.0120 60.8721 37.8570 175.1627 88 E 4.3511 9.2385 125.7597 58.2252 30.7226 176.5135 89 V 4.6831 7.6071 117.6767 61.1925 35.3522 173.5668 90 A 5.5677 8.5286 126.5331 50.8541 22.3790 174.9038 91 E 4.9703 9.3400 117.0758 55.1607 33.4984 173.6439 92 N 6.3000 8.6671 117.1899 51.5302 40.8481 173.2874 93 K 4.7622 8.5337 117.1631 55.8445 35.6902 175.1549 94 I 5.0709 8.2642 121.7505 59.7893 39.9239 175.1641 *96 K 4.0865 8.3563 122.1334 55.5052 33.0150 174.2618 97 P 4.1984 0.0000 0.0000 61.9646 32.3710 176.2914 98 A 3.9514 7.9653 123.9764 51.7712 18.8651 178.6180 99 R 3.8024 8.1815 118.6804 58.5981 30.1894 178.0252 100 F 4.7896 6.9153 110.2514 56.2194 38.2523 175.3286 101 S 4.2047 7.4151 117.0975 57.6238 62.4604 172.6690 102 P 4.3659 0.0000 0.0000 64.9573 31.5165 176.3271 103 L 4.2561 7.6842 121.8632 54.8153 41.6749 176.3191 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 -6 I 7.87 4.13 1.76 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 1.44 0.75 0.66 0.00 0.00 -5 H 8.59 4.56 0.00 3.35 3.38 0.00 5.48 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.14 4.85 0.00 3.27 3.21 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.35 4.64 0.00 3.25 3.29 0.00 5.90 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.98 4.36 0.00 3.10 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.04 5.05 0.00 3.25 3.20 0.00 5.70 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 0 H 7.80 4.38 0.00 3.28 3.02 0.00 5.68 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 F 8.02 4.74 0.00 3.12 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 -3 Y 8.05 4.46 0.00 2.99 3.11 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 -2 E 8.98 3.98 0.00 1.87 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 2.38 2.24 0.00 -1 I 7.62 4.49 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 1.47 1.21 0.91 0.00 0.00 0 R 7.61 3.99 0.00 1.85 1.62 0.00 2.21 0.00 0.00 3.34 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 7 T 8.98 4.95 4.27 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 1.23 0.00 0.00 8 Y 9.02 5.50 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 9 R 9.09 4.84 0.00 1.90 1.83 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 10 L 8.92 4.86 0.00 1.50 1.67 0.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.87 4.17 0.00 1.83 1.84 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.32 7.81 12 N 8.79 4.61 0.00 2.71 2.74 0.00 0.00 7.23 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 13 G 9.36 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 0.00 0.00 0.00 14 A 8.06 4.31 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 15 I 7.73 3.66 1.87 0.00 0.00 1.00 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 0.71 0.73 0.00 0.00 16 P 0.00 4.16 0.00 2.15 2.06 0.00 3.78 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 2.10 2.11 0.00 17 A 7.99 4.01 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 18 Y 8.34 3.98 0.00 3.13 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 19 L 8.51 4.04 0.00 1.67 1.66 0.42 1.08 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 20 K 8.07 3.89 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 21 V 7.73 3.71 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 1.06 0.00 0.00 22 V 7.88 3.51 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 0.88 0.00 0.00 0.60 0.00 0.00 23 E 7.88 3.79 0.00 1.96 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 2.28 2.29 0.00 24 D 8.01 4.54 0.00 2.77 2.71 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 0.00 0.00 0.00 0.00 25 E 8.51 4.67 0.00 2.25 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 0.00 2.27 2.26 0.00 26 G 7.54 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 0.00 0.00 0.00 27 I 7.84 3.76 1.72 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.81 0.00 0.00 28 E 8.03 3.96 0.00 1.99 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 2.36 2.32 0.00 29 I 7.66 3.68 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 1.12 0.00 0.00 30 Q 8.13 3.33 0.00 1.87 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 1.96 1.57 0.00 31 K 8.51 4.27 0.00 1.87 1.95 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.80 7.81 32 S 7.91 4.11 0.00 3.93 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.22 4.60 0.00 3.02 3.37 0.00 5.65 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 34 L 7.66 4.14 0.00 0.69 1.09 -0.29 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.94 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 0.00 0.00 0.00 36 E 9.01 4.32 0.00 2.00 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 2.35 2.27 0.00 37 L 8.12 3.19 0.00 0.73 1.22 -0.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.38 3.95 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 0.88 0.00 0.00 1.05 0.00 0.00 39 G 7.27 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 0.00 0.00 0.00 40 Y 7.06 4.72 0.00 2.68 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 41 F 9.42 5.38 0.00 2.92 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 42 F 8.46 5.78 0.00 3.09 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 43 S 8.85 4.39 0.00 3.99 3.93 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 0.00 0.00 0.00 44 E 8.89 4.48 0.00 1.79 1.87 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 2.14 2.33 0.00 45 I 8.10 4.57 1.85 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 1.34 0.78 0.90 0.00 0.00 46 G 8.89 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 0.00 0.00 0.00 47 P 0.00 4.29 0.00 2.13 2.03 0.00 3.67 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 2.16 2.12 0.00 48 I 8.13 4.28 1.90 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 1.45 0.70 0.95 0.00 0.00 49 N 8.65 4.28 0.00 2.94 3.02 0.00 0.00 6.38 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 50 E 8.34 5.17 0.00 2.06 1.82 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 2.25 2.46 0.00 51 I 8.68 5.13 1.87 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.31 0.98 0.00 0.00 52 V 8.82 5.49 2.21 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 1.11 0.00 0.00 0.93 0.00 0.00 53 H 8.49 5.16 0.00 2.63 1.72 0.00 5.72 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 54 I 8.31 5.72 1.88 0.00 0.00 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 1.30 0.72 1.15 0.00 0.00 55 W 9.01 5.15 0.00 3.09 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 56 A 8.32 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.33 5.06 0.00 2.94 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 58 S 9.14 4.42 0.00 4.03 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 59 S 7.57 4.64 0.00 3.98 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 60 L 7.75 3.69 0.00 1.37 1.46 0.61 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.82 4.24 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.24 0.00 2.80 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 63 R 7.82 3.08 0.00 0.67 1.57 0.00 2.62 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 64 A 7.76 3.80 1.27 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 0.00 0.00 65 E 8.08 3.88 0.00 2.13 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 2.28 2.40 0.00 66 R 8.07 3.86 0.00 1.93 2.06 0.00 3.33 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 67 R 7.88 3.75 0.00 1.61 1.87 0.00 3.00 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 68 A 7.76 4.09 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 69 R 7.65 4.00 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 70 L 7.63 3.33 0.00 1.40 1.57 -0.41 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.89 4.24 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 73 D 7.80 4.57 0.00 2.87 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 74 P 0.00 4.36 0.00 2.33 2.33 0.00 3.80 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 75 R 8.76 4.05 0.00 2.27 2.13 0.00 3.15 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 76 W 8.15 4.51 0.00 3.40 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 77 L 8.14 3.93 0.00 1.69 1.72 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.03 4.27 0.00 4.04 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 79 F 7.53 4.15 0.00 3.22 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 80 L 7.38 3.28 0.00 1.40 1.45 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.09 0.00 1.85 2.00 0.00 3.51 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 82 K 7.61 4.02 0.00 1.04 1.59 0.00 1.48 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.21 7.81 83 I 6.81 4.48 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.65 0.57 0.00 0.00 84 R 7.93 3.97 0.00 1.86 2.05 0.00 2.98 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 85 D 7.81 4.64 0.00 2.64 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 86 L 7.70 4.18 0.00 2.02 1.83 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.56 4.33 1.75 0.00 0.00 0.58 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 0.65 0.66 0.00 0.00 88 E 9.24 4.35 0.00 2.05 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 2.28 2.32 0.00 89 V 7.61 4.68 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 1.09 0.00 0.00 0.94 0.00 0.00 90 A 8.53 5.57 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 91 E 9.34 4.97 0.00 2.06 2.06 0.00 0.00 0.00 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 92 N 8.67 6.30 0.00 2.75 2.86 0.00 0.00 5.84 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 93 K 8.53 4.76 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.53 7.81 94 I 8.26 5.07 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 1.14 0.00 0.00 *96 K 8.36 4.09 0.00 1.66 1.49 0.00 1.50 0.00 0.00 1.10 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.42 7.81 97 P 0.00 4.20 0.00 2.08 2.04 0.00 3.57 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 98 A 7.97 3.95 0.38 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 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.18 3.80 0.00 1.84 1.95 0.00 3.17 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 100 F 6.92 4.79 0.00 3.14 3.14 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 0.00 101 S 7.42 4.20 0.00 3.60 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 0.00 102 P 0.00 4.37 0.00 2.07 2.10 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 103 L 7.68 4.26 0.00 1.32 1.31 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.