NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3535 7.8833 114.4228 60.9594 39.9564 173.5608 3 I 4.6870 8.8209 123.5596 58.6693 40.1994 169.7881 4 V 4.9326 9.2362 126.6613 61.4405 34.7911 172.9822 5 Y 5.4682 9.3519 130.1836 56.3340 40.8785 174.2960 6 T 5.0850 8.1069 119.3532 59.8417 71.4967 172.3062 7 T 4.7729 7.8532 121.3569 61.6726 71.7049 173.3995 8 F 4.5486 8.6553 122.2107 55.0005 42.6715 174.9002 9 P 4.1472 0.0000 0.0000 65.3065 31.0251 176.1482 10 D 4.6550 7.2845 112.2399 50.4936 42.8111 176.0292 11 W 4.0796 8.8061 118.6244 60.2658 28.8056 177.6337 12 E 3.8575 8.6056 117.3118 60.5358 28.7012 179.4090 13 S 3.9439 8.7141 113.4350 61.3107 63.1746 176.4594 14 A 2.0000 7.1162 123.6238 54.4763 18.0655 179.5312 15 E 3.8988 8.0591 116.8887 59.1896 29.5228 179.4372 16 K 3.7919 7.9523 119.6458 59.5499 32.2955 178.9673 17 V 3.5298 8.3049 119.5208 65.9806 31.4823 178.1544 18 V 3.6107 8.0190 118.2997 66.0590 31.3278 178.2199 19 K 4.0710 8.5356 118.6564 59.4466 31.7622 179.5365 20 T 3.8486 7.9377 116.1864 66.6574 68.1827 176.5274 21 L 3.9846 7.8024 119.4369 57.7751 41.9593 179.4034 22 L 4.3014 8.0128 118.7657 57.8792 41.3777 179.1924 23 K 3.8153 8.1046 117.3008 59.9659 32.2100 178.8762 24 E 4.1821 8.3073 117.6120 56.4332 30.1839 175.2915 25 R 3.6021 8.1923 123.2385 55.6407 27.3328 175.2074 *27 I 4.1843 8.0201 113.4651 60.5699 38.9246 175.9861 28 A 4.2222 8.4911 123.4216 54.1794 19.4586 177.3223 29 C 5.1273 8.0904 113.2842 57.9646 35.7577 172.5528 30 A 5.4069 8.6603 123.4946 50.3852 22.2743 175.3168 31 N 5.0098 9.3612 118.2186 51.6896 41.7110 173.5033 32 L 5.3882 8.6295 123.9440 53.2796 44.4295 176.4508 33 R 4.8401 8.4461 116.6586 55.1222 32.9484 174.5127 34 E 4.5872 9.0910 122.2139 57.2424 30.5992 175.4482 35 H 4.7463 8.6761 114.5556 55.1730 32.3718 172.8931 36 R 4.8982 8.7692 119.0250 54.9532 31.2818 175.8339 37 A 4.5558 8.6242 127.0525 51.3322 20.3184 176.0148 38 F 5.0640 9.1787 121.0605 55.9807 41.4151 174.0148 39 Y 5.0143 8.4112 121.2985 54.9494 42.0513 174.3104 40 W 4.6648 9.0150 120.7760 56.3623 29.9045 175.8502 41 W 5.0746 9.3095 134.7304 57.4018 34.0543 177.1434 42 E 2.9706 8.1081 122.1582 56.8477 29.6674 175.9963 43 G 4.1093 8.6846 112.5618 45.1260 0.0000 173.2871 44 K 4.3254 8.6401 117.9955 55.7808 35.3245 174.3817 45 I 3.7612 7.9255 121.0726 60.6374 37.1856 175.7964 46 E 4.2975 8.4497 127.4300 55.5373 31.5497 175.8806 47 E 5.3564 8.4063 119.9702 54.2091 33.2568 174.4108 48 D 4.6881 8.3028 123.0459 52.1139 43.6785 173.2058 49 K 4.7919 8.5001 119.2018 55.0866 33.8633 175.1203 50 E 4.7776 9.1583 125.5525 54.5608 34.7542 174.7847 51 V 4.0657 8.3016 120.0654 60.9255 33.5240 174.8024 52 G 4.3533 8.6243 115.7985 45.8029 0.0000 170.8789 53 A 5.4574 9.2318 123.8297 49.9449 22.8556 175.2630 54 I 4.5926 8.9745 122.9787 59.8541 39.2276 174.6620 55 L 5.1486 9.2038 128.3286 53.2808 44.1351 176.2122 56 K 5.0526 9.0059 121.5574 55.3806 35.1075 175.1486 57 T 4.6970 8.3004 120.3292 61.5538 70.9941 172.6865 58 R 4.3339 8.6692 118.6412 55.6877 31.4298 177.3234 59 E 4.0960 8.8915 120.4127 59.6942 29.3890 179.1171 60 D 4.5055 8.1579 118.3870 55.7657 39.5510 177.7697 61 L 4.3906 8.0810 120.0033 55.9918 41.7776 178.5888 62 W 4.5198 8.0861 129.4688 60.8752 30.6021 176.9203 63 E 3.4900 8.3167 118.6341 59.3707 29.0140 178.3952 64 E 4.6503 7.8789 118.2942 58.7339 29.6736 178.8442 65 L 3.8307 7.9676 121.5623 57.7795 42.3112 178.6786 66 K 3.5378 7.4418 119.5498 59.3172 32.0332 178.4588 67 E 3.8127 7.8400 118.6591 59.5661 29.3678 179.1814 68 R 4.0498 8.2321 118.9434 59.7590 29.9226 178.5869 69 I 3.8221 7.8399 119.4696 64.0022 36.8955 178.2587 70 K 3.8667 7.6351 118.2179 59.8259 32.0403 178.9999 71 E 4.1197 8.0213 116.6959 58.4677 29.3997 178.3560 72 L 4.4947 7.3371 117.0991 54.6002 42.9853 176.6290 73 H 4.3223 8.5573 120.1675 55.2508 30.3992 174.3748 74 P 4.3117 0.0000 0.0000 65.5644 31.4627 176.7905 75 Y 4.6908 7.1759 112.8315 57.5100 38.3010 175.5546 76 D 4.4810 8.9556 123.9137 56.8298 41.5415 176.2884 77 V 4.2958 7.4107 117.1427 60.1909 32.0976 172.4710 78 P 4.1942 0.0000 0.0000 62.0380 32.2943 175.6259 79 A 4.5352 8.0804 121.7715 50.7543 20.7881 176.1823 80 I 4.3380 8.4524 123.1942 59.6628 39.7730 174.2902 81 I 4.5252 8.8554 128.3581 59.3478 39.5323 174.6513 82 R 4.8938 8.3411 127.6806 54.6955 31.4984 175.1804 83 I 4.4311 8.9788 127.7300 59.3003 39.9826 174.8999 84 D 4.6919 8.6940 127.3485 54.2035 41.6241 176.2555 85 V 4.1418 8.2126 121.6688 61.6190 32.3989 176.3715 86 D 4.3692 8.7654 126.6724 55.3463 41.1568 175.7557 87 D 4.5665 7.0642 117.9659 54.1596 44.8093 175.5970 88 V 4.5751 8.0505 122.6288 59.9794 34.5310 173.8232 89 N 4.5252 8.5903 119.2055 53.0297 37.9259 174.3466 90 E 4.5048 8.4303 121.9925 54.1926 28.0380 173.7664 91 D 4.3991 8.1134 127.9223 53.4299 47.3800 177.1429 92 Y 4.3309 8.0071 119.4877 61.0708 38.9124 178.4656 93 L 4.0459 7.8928 119.3860 57.6606 42.1363 178.9174 94 K 4.0732 8.4945 119.3006 58.9253 31.9673 179.0020 95 W 4.0407 8.0732 128.2624 60.0089 30.4455 177.6213 96 L 3.0386 7.6946 119.8285 57.4391 41.3969 178.5204 97 I 3.7408 7.6114 119.9262 64.2074 36.7881 178.0152 98 E 3.8864 7.6629 119.1628 59.1685 29.6001 178.2310 99 E 3.9082 7.2816 116.2549 56.6909 29.8402 176.4881 100 T 4.8237 6.5540 109.0126 59.0229 70.6850 174.3294 101 K 3.9110 8.2111 124.5793 56.7794 33.5161 176.5672 102 K 4.2372 8.4281 119.7091 56.6268 31.9378 176.3895 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 I 7.88 4.35 1.88 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 1.44 1.07 0.95 0.00 0.00 3 I 8.82 4.69 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.99 0.00 0.00 4 V 9.24 4.93 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 1.19 0.00 0.00 1.24 0.00 0.00 5 Y 9.35 5.47 0.00 3.02 2.86 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 6 T 8.11 5.08 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 0.95 0.00 0.00 7 T 7.85 4.77 4.09 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 1.33 0.00 0.00 8 F 8.66 4.55 0.00 2.75 2.59 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 0.00 9 P 0.00 4.15 0.00 1.89 2.01 0.00 3.48 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 0.00 10 D 7.28 4.65 0.00 2.88 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 11 W 8.81 4.08 0.00 3.36 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 12 E 8.61 3.86 0.00 2.16 1.92 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 2.41 2.41 0.00 13 S 8.71 3.94 0.00 3.89 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 14 A 7.12 2.00 0.99 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 15 E 8.06 3.90 0.00 2.14 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 2.48 2.73 0.00 16 K 7.95 3.79 0.00 1.87 1.81 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.54 7.81 17 V 8.30 3.53 1.80 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 1.13 0.00 0.00 0.98 0.00 0.00 18 V 8.02 3.61 2.13 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 1.03 0.00 0.00 1.00 0.00 0.00 19 K 8.54 4.07 0.00 1.95 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 20 T 7.94 3.85 4.46 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 0.00 0.00 0.00 1.20 0.00 0.00 21 L 7.80 3.98 0.00 1.82 1.76 1.00 0.91 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 22 L 8.01 4.30 0.00 1.88 1.73 0.98 0.89 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 23 K 8.10 3.82 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.71 7.81 24 E 8.31 4.18 0.00 2.05 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 2.34 2.52 0.00 25 R 8.19 3.60 0.00 1.95 2.03 0.00 3.11 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 *27 I 8.02 4.18 1.94 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 1.33 1.13 0.97 0.00 0.00 28 A 8.49 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.09 5.13 0.00 3.47 3.06 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 30 A 8.66 5.41 1.28 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 31 N 9.36 5.01 0.00 2.74 2.80 0.00 0.00 6.78 6.26 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 32 L 8.63 5.39 0.00 1.81 1.50 1.04 1.01 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 33 R 8.45 4.84 0.00 1.97 2.11 0.00 3.02 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 34 E 9.09 4.59 0.00 1.99 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 2.10 2.60 0.00 35 H 8.68 4.75 0.00 3.20 3.41 0.00 5.25 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 36 R 8.77 4.90 0.00 1.87 1.77 0.00 3.40 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 37 A 8.62 4.56 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 38 F 9.18 5.06 0.00 2.86 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 39 Y 8.41 5.01 0.00 3.15 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 40 W 9.02 4.66 0.00 3.35 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 41 W 9.31 5.07 0.00 3.11 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 42 E 8.11 2.97 0.00 1.86 1.80 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 1.61 1.47 0.00 43 G 8.68 4.11 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 0.00 0.00 0.00 44 K 8.64 4.33 0.00 1.83 1.91 0.00 1.30 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 45 I 7.93 3.76 1.49 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.36 0.67 0.00 0.00 46 E 8.45 4.30 0.00 1.28 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 2.19 2.36 0.00 47 E 8.41 5.36 0.00 1.57 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 1.47 1.94 0.00 48 D 8.30 4.69 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.50 4.79 0.00 1.73 1.70 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.46 7.81 50 E 9.16 4.78 0.00 1.57 1.72 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 2.19 2.28 0.00 51 V 8.30 4.07 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 52 G 8.62 4.35 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 0.00 53 A 9.23 5.46 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 54 I 8.97 4.59 1.99 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 1.36 0.84 1.01 0.00 0.00 55 L 9.20 5.15 0.00 1.75 1.68 1.03 0.84 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 56 K 9.01 5.05 0.00 1.89 1.87 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.51 7.81 57 T 8.30 4.70 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 1.30 0.00 0.00 58 R 8.67 4.33 0.00 1.98 1.92 0.00 3.21 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 59 E 8.89 4.10 0.00 2.24 2.24 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 2.40 2.40 0.00 60 D 8.16 4.51 0.00 2.88 2.89 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 61 L 8.08 4.39 0.00 1.93 1.76 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 62 W 8.09 4.52 0.00 3.48 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 63 E 8.32 3.49 0.00 2.09 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 2.35 2.36 0.00 64 E 7.88 4.65 0.00 2.18 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 2.48 2.18 0.00 65 L 7.97 3.83 0.00 1.77 1.81 0.93 0.70 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 66 K 7.44 3.54 0.00 0.79 1.31 0.00 1.63 0.00 0.00 1.36 0.00 0.00 2.49 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.16 7.81 67 E 7.84 3.81 0.00 2.18 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 2.25 2.32 0.00 68 R 8.23 4.05 0.00 1.97 2.02 0.00 3.19 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 1.73 1.72 0.00 69 I 7.84 3.82 1.81 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 1.57 0.83 0.91 0.00 0.00 70 K 7.64 3.87 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.63 7.81 71 E 8.02 4.12 0.00 2.13 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 2.33 2.50 0.00 72 L 7.34 4.49 0.00 1.62 1.73 0.93 1.52 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 73 H 8.56 4.32 0.00 3.36 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.77 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 4.31 0.00 1.72 1.98 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 75 Y 7.18 4.69 0.00 3.15 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 76 D 8.96 4.48 0.00 2.74 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 77 V 7.41 4.30 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 0.89 0.00 0.00 0.96 0.00 0.00 78 P 0.00 4.19 0.00 1.91 1.39 0.00 3.68 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 1.97 1.77 0.00 79 A 8.08 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.45 4.34 1.95 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 1.27 0.65 0.93 0.00 0.00 81 I 8.86 4.53 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.96 0.00 0.00 82 R 8.34 4.89 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.30 0.00 83 I 8.98 4.43 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.88 0.00 0.00 84 D 8.69 4.69 0.00 2.52 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 85 V 8.21 4.14 2.13 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 1.09 0.00 0.00 0.99 0.00 0.00 86 D 8.77 4.37 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.06 4.57 0.00 2.50 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 88 V 8.05 4.58 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 0.87 0.00 0.00 1.15 0.00 0.00 89 N 8.59 4.53 0.00 2.91 2.99 0.00 0.00 5.76 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 90 E 8.43 4.50 0.00 1.97 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 0.00 2.32 2.38 0.00 91 D 8.11 4.40 0.00 2.72 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 92 Y 8.01 4.33 0.00 3.14 3.33 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 93 L 7.89 4.05 0.00 2.03 1.75 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.49 4.07 0.00 2.03 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.73 7.81 95 W 8.07 4.04 0.00 3.43 3.26 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 96 L 7.69 3.04 0.00 1.62 1.69 0.97 0.86 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 97 I 7.61 3.74 1.93 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 1.37 1.18 0.86 0.00 0.00 98 E 7.66 3.89 0.00 1.87 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 2.19 2.21 0.00 99 E 7.28 3.91 0.00 1.16 1.54 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 1.47 1.47 0.00 100 T 6.55 4.82 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 1.12 0.00 0.00 101 K 8.21 3.91 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.45 7.81 102 K 8.43 4.24 0.00 1.63 1.72 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.