NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6143 8.3649 120.1995 52.6340 43.4740 175.1354 5 L 4.7323 7.7436 118.1137 52.7824 42.9475 176.2883 6 S 4.3572 8.4876 114.7183 59.8570 64.5762 173.8266 7 G 4.1330 7.7397 109.6884 44.2382 0.0000 172.9335 8 T 3.9923 8.4281 115.2209 64.1445 69.1584 173.8358 9 W 5.0398 8.5536 124.3672 55.2516 32.0870 174.4704 10 Y 5.1363 8.9947 121.2302 56.4558 40.4225 175.3524 11 V 5.2039 8.8898 116.0535 59.8749 37.0042 174.0470 12 L 5.1358 8.6756 121.2862 53.8588 43.5408 175.5548 13 E 4.9412 8.9548 123.0427 55.0450 33.2269 173.9544 14 G 4.2473 9.4372 113.4974 45.4430 0.0000 176.9161 15 D 4.4982 7.4729 123.2820 53.1152 41.6773 173.6234 16 P 4.3495 0.0000 0.0000 65.0287 30.0743 176.0041 17 G 3.9107 9.2411 113.9614 44.8487 0.0000 172.4755 18 E 4.3605 8.9713 121.0248 56.0231 29.9242 175.2737 19 H 5.4614 8.5660 121.5412 53.5038 31.9205 174.5488 20 L 4.2296 8.3543 122.6106 55.3162 42.8385 175.7970 21 V 4.7644 8.4891 126.0886 61.1912 34.2679 174.9165 22 V 4.5747 8.9313 120.1352 59.6048 35.8786 174.3629 23 E 5.4207 8.9669 122.9512 54.3527 30.8046 175.1352 24 A 4.4351 8.4996 125.9038 51.6659 22.1796 175.2078 25 L 3.7584 9.3465 115.7068 55.9242 39.0999 175.9535 26 G 3.8990 8.9775 103.5919 45.9740 0.0000 173.1870 27 E 4.6742 8.1503 118.7838 55.2003 34.5120 173.6352 28 R 4.8340 8.5051 118.7760 55.0332 32.1147 175.9278 29 L 5.0707 9.1743 123.8089 52.2340 45.7258 175.2443 30 S 5.0071 7.6805 113.8378 55.6608 66.5982 172.1750 31 G 3.8976 8.4687 106.2592 44.3713 0.0000 172.1856 32 I 4.8178 7.0806 120.1184 58.9928 41.7716 174.3519 33 W 5.2868 9.2183 124.6178 55.2784 32.9164 176.2856 34 T 4.6300 9.4492 112.4118 62.2802 69.2198 175.4293 35 S 4.6249 7.6750 116.9840 55.6968 67.3661 174.4913 36 R 2.7780 7.5300 123.2126 59.1254 29.8251 178.3861 37 E 3.7743 7.8220 118.4488 59.4246 29.5439 178.5191 38 L 3.9447 8.1445 119.0076 57.8905 41.5908 179.5587 39 A 2.8303 7.5891 120.2413 54.7509 18.3314 179.5877 40 E 3.7771 8.3038 116.9505 58.9089 29.1707 179.5746 41 A 3.7933 7.5791 120.5744 55.0188 18.7614 179.0590 42 F 4.0921 7.6068 119.2433 61.3607 39.4366 177.0423 43 L 3.8753 8.1158 119.9355 57.9906 41.6408 178.4748 44 A 4.0962 7.6661 119.0833 54.0219 18.4135 178.0401 45 H 4.8076 7.7887 112.9468 55.3204 30.8373 175.0478 46 H 4.5867 7.2553 116.8735 53.2063 28.6864 171.1704 47 P 4.4362 0.0000 0.0000 62.5727 32.7365 176.4042 48 H 4.2517 8.6828 113.3439 56.9057 25.7499 175.7483 49 L 4.4642 7.4694 117.9560 53.8476 42.5433 175.7760 50 G 3.6207 7.6922 109.9017 45.4886 0.0000 172.1876 *52 R 4.3419 7.4695 118.3494 55.9860 31.6429 176.0681 53 V 4.2079 8.4370 121.7290 63.2634 32.5020 174.9489 54 S 4.8765 9.5944 121.6212 56.4395 65.8375 172.0803 55 A 4.7191 8.6712 127.7018 50.4408 20.8571 176.9675 56 L 4.5197 8.8224 123.9679 53.0107 41.4345 176.8671 57 E 3.9378 8.4858 121.4429 57.2704 30.8559 177.9871 58 S 4.6463 7.4158 114.0619 56.2388 66.9109 174.8081 59 R 3.6658 8.1722 120.9503 59.1235 29.6794 178.0588 60 A 3.9284 7.8693 120.2379 55.3641 18.4483 179.5428 61 L 3.9532 7.6505 117.1382 57.6381 41.5802 179.9714 62 K 3.8836 7.7034 118.5224 59.2545 31.8016 179.1499 63 E 3.9318 8.6100 118.9304 59.4983 29.4433 179.2135 64 A 4.0097 8.2821 121.0036 55.3093 18.3193 179.0380 65 Y 4.0778 8.2307 117.8738 61.0266 38.9680 178.3355 66 L 3.8021 8.2321 119.8932 57.7874 41.4415 179.8234 67 R 3.8962 8.1841 117.4999 58.9588 30.0489 178.5493 68 A 4.1204 8.0385 120.0861 55.2558 18.6332 179.2118 69 L 4.0511 7.9294 117.9351 57.7232 41.5627 180.6208 70 G 3.8178 7.7004 102.4723 45.3637 0.0000 174.6950 *72 L 4.2438 7.7604 118.5642 53.1799 43.3469 176.8512 73 Q 3.5082 7.9536 116.3898 56.8446 26.4316 173.3887 74 V 4.1816 7.8236 118.4981 61.8500 32.2915 175.3829 75 E 4.3158 8.5055 126.4777 58.5884 30.7382 176.2760 76 A 5.0015 7.6841 118.8955 50.4729 23.3209 174.7220 77 V 4.7596 8.5846 113.5890 59.3129 35.9984 175.8305 *79 V 3.6839 8.4139 125.0659 64.7942 32.3753 175.5446 80 D 4.2540 8.5734 128.9746 55.2793 38.7797 173.8533 81 Y 4.2068 7.2132 118.8258 57.6947 39.8782 174.7332 82 R 4.8177 7.5116 121.3413 54.0646 32.3683 174.0279 83 P 4.2024 0.0000 0.0000 65.2450 31.5354 177.0177 84 G 4.2153 7.2096 105.1070 44.9892 0.0000 174.3522 85 T 3.8586 9.1516 120.3698 64.4272 67.7592 177.9805 86 H 3.9150 8.9864 123.5618 57.1221 30.8161 175.0797 87 R 4.5805 8.3118 118.7618 54.0730 33.8192 173.4281 88 A 4.5634 8.3952 121.6143 50.7874 20.1837 176.2130 89 Q 4.4725 8.5748 121.8570 54.7771 30.0389 175.2267 90 V 4.4963 8.4029 124.0407 60.8264 33.9066 174.1297 91 A 4.7393 8.7818 130.4656 50.0004 21.4753 176.2870 92 R 4.3361 8.4099 121.3508 55.7394 31.2217 178.2176 93 V 3.6016 8.7615 121.9471 65.6650 31.1445 178.3940 94 K 3.8704 8.0128 119.2115 59.8068 32.0594 178.3311 95 D 4.5077 7.9214 118.4558 57.2178 40.8008 178.5930 96 L 4.4842 8.0743 119.5207 57.5865 41.3209 179.4420 97 L 4.0373 7.8607 118.6137 57.4287 41.7764 178.4903 98 E 4.2272 7.6523 119.0597 58.5596 29.7556 178.1362 99 E 3.9969 8.7233 119.3294 59.4574 29.6766 179.6452 100 V 3.6599 8.2828 118.9586 64.4091 30.9828 178.2823 101 R 4.0372 7.7110 118.0851 58.5249 29.9303 177.8667 102 R 4.3083 7.9956 115.8556 56.2025 30.4608 176.2209 103 A 4.2315 7.7034 127.6005 52.1871 19.0553 177.0715 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 4 D 8.36 4.61 0.00 2.67 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 5 L 7.74 4.73 0.00 1.84 1.91 0.79 0.25 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 6 S 8.49 4.36 0.00 4.01 4.05 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 7 G 7.74 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 0.00 0.00 0.00 8 T 8.43 3.99 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 0.67 0.00 0.00 9 W 8.55 5.04 0.00 3.12 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 10 Y 8.99 5.14 0.00 3.23 2.98 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 11 V 8.89 5.20 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 0.28 0.00 0.00 0.86 0.00 0.00 12 L 8.68 5.14 0.00 1.86 1.71 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.95 4.94 0.00 2.03 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 2.22 2.36 0.00 14 G 9.44 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 0.00 0.00 0.00 0.00 15 D 7.47 4.50 0.00 2.89 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 16 P 0.00 4.35 0.00 2.06 2.01 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 17 G 9.24 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 18 E 8.97 4.36 0.00 2.08 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 2.31 2.29 0.00 19 H 8.57 5.46 0.00 3.12 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.35 4.23 0.00 1.98 1.73 1.04 1.11 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 21 V 8.49 4.76 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 0.93 0.00 0.00 1.00 0.00 0.00 22 V 8.93 4.57 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 0.75 0.00 0.00 0.87 0.00 0.00 23 E 8.97 5.42 0.00 1.83 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 0.00 2.22 2.13 0.00 24 A 8.50 4.44 1.18 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 0.00 0.00 25 L 9.35 3.76 0.00 1.77 1.73 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.98 3.90 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 0.00 0.00 0.00 27 E 8.15 4.67 0.00 1.84 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 2.20 2.27 0.00 28 R 8.51 4.83 0.00 1.84 1.81 0.00 3.06 0.00 0.00 3.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 29 L 9.17 5.07 0.00 1.42 1.42 0.83 0.76 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 30 S 7.68 5.01 0.00 3.81 3.65 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 31 G 8.47 3.90 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 0.00 0.00 0.00 32 I 7.08 4.82 1.35 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.79 0.37 0.00 0.00 33 W 9.22 5.29 0.00 3.52 2.98 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 34 T 9.45 4.63 4.36 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 1.30 0.00 0.00 35 S 7.68 4.62 0.00 3.93 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 36 R 7.53 2.78 0.00 1.27 1.65 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 37 E 7.82 3.77 0.00 1.97 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 2.32 2.34 0.00 38 L 8.14 3.94 0.00 1.94 1.89 1.07 0.62 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 39 A 7.59 2.83 1.18 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 0.00 0.00 40 E 8.30 3.78 0.00 2.02 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 2.25 2.42 0.00 41 A 7.58 3.79 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 42 F 7.61 4.09 0.00 2.90 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 43 L 8.12 3.88 0.00 1.80 1.73 0.91 1.48 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 44 A 7.67 4.10 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 45 H 7.79 4.81 0.00 3.05 3.01 0.00 5.62 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 46 H 7.26 4.59 0.00 2.73 3.08 0.00 5.84 0.00 0.00 0.00 0.00 7.00 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 4.44 0.00 1.70 1.80 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 48 H 8.68 4.25 0.00 3.31 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.47 4.46 0.00 1.81 1.74 1.00 0.88 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 50 G 7.69 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 *52 R 7.47 4.34 0.00 1.95 2.14 0.00 2.99 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 53 V 8.44 4.21 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 0.89 0.00 0.00 0.88 0.00 0.00 54 S 9.59 4.88 0.00 3.89 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 55 A 8.67 4.72 1.17 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 56 L 8.82 4.52 0.00 1.41 1.45 0.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.49 3.94 0.00 2.00 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 2.19 2.19 0.00 58 S 7.42 4.65 0.00 3.97 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 59 R 8.17 3.67 0.00 1.87 1.88 0.00 3.11 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 60 A 7.87 3.93 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 61 L 7.65 3.95 0.00 1.57 1.69 0.88 1.33 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 62 K 7.70 3.88 0.00 1.64 1.21 0.00 1.22 0.00 0.00 0.74 0.00 0.00 2.52 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.95 7.81 63 E 8.61 3.93 0.00 2.11 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 2.34 2.45 0.00 64 A 8.28 4.01 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 65 Y 8.23 4.08 0.00 3.17 3.34 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 66 L 8.23 3.80 0.00 1.92 1.71 1.09 0.96 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 67 R 8.18 3.90 0.00 2.01 1.98 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 68 A 8.04 4.12 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 69 L 7.93 4.05 0.00 1.61 1.54 0.60 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.70 3.82 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 0.00 0.00 0.00 *72 L 7.76 4.24 0.00 1.83 1.75 1.03 1.03 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 73 Q 7.95 3.51 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 74 V 7.82 4.18 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 0.88 0.00 0.00 75 E 8.51 4.32 0.00 1.93 1.93 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 2.28 2.38 0.00 76 A 7.68 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.58 4.76 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 0.94 0.00 0.00 0.75 0.00 0.00 *79 V 8.41 3.68 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 0.60 0.00 0.00 0.68 0.00 0.00 80 D 8.57 4.25 0.00 2.72 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 81 Y 7.21 4.21 0.00 2.72 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 82 R 7.51 4.82 0.00 2.03 2.08 0.00 3.07 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 83 P 0.00 4.20 0.00 2.07 2.18 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 84 G 7.21 4.22 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 0.00 0.00 0.00 85 T 9.15 3.86 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 1.21 0.00 0.00 86 H 8.99 3.92 0.00 3.34 3.03 0.00 5.47 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.31 4.58 0.00 1.77 1.85 0.00 3.20 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 1.51 1.59 0.00 88 A 8.40 4.56 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 89 Q 8.57 4.47 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 90 V 8.40 4.50 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 0.76 0.00 0.00 0.89 0.00 0.00 91 A 8.78 4.74 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 92 R 8.41 4.34 0.00 1.98 1.83 0.00 3.28 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 93 V 8.76 3.60 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 0.94 0.00 0.00 0.90 0.00 0.00 94 K 8.01 3.87 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 95 D 7.92 4.51 0.00 2.83 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 96 L 8.07 4.48 0.00 1.90 1.92 0.78 0.63 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 97 L 7.86 4.04 0.00 1.91 1.75 0.94 0.77 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 98 E 7.65 4.23 0.00 2.08 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 0.00 2.28 2.39 0.00 99 E 8.72 4.00 0.00 2.25 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 2.37 2.63 0.00 100 V 8.28 3.66 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 0.88 0.00 0.00 0.75 0.00 0.00 101 R 7.71 4.04 0.00 1.93 2.04 0.00 3.31 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 102 R 8.00 4.31 0.00 1.87 1.97 0.00 3.17 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 103 A 7.70 4.23 1.14 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.