NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0076 8.0501 120.3117 61.4733 33.0276 174.6488 5 A 4.3406 8.1830 126.6050 49.5832 20.0267 175.5238 6 F 2.9679 8.6519 123.5385 59.6658 40.5225 174.0360 7 G 3.4704 7.5320 114.7645 45.3576 0.0000 173.6428 8 S 4.1675 7.3411 116.3890 58.0077 63.3122 175.5290 9 E 4.0125 8.7403 122.0047 58.5405 29.7185 177.2806 10 D 4.9343 7.7283 118.2864 52.5306 40.1665 177.5685 11 I 3.4904 7.5957 122.8092 65.0943 37.5592 177.1159 12 E 4.0357 8.1053 117.6775 59.0392 29.3161 178.8595 13 N 4.3586 7.9631 117.2158 56.5890 38.8354 177.1806 14 T 4.0170 7.7211 116.6121 66.6485 68.7079 176.6416 15 L 4.0547 8.0490 120.0397 56.9071 41.3588 179.1283 16 A 4.2754 7.7252 120.2728 54.6034 18.3605 178.8351 17 K 4.2243 7.7257 114.6386 56.5331 32.8899 176.6657 18 M 4.7000 7.4241 120.0407 54.0706 33.4150 176.4966 19 D 4.7872 9.3449 123.9211 52.2723 42.5266 177.4166 20 D 4.4765 8.5862 118.5166 57.6545 40.5352 179.3238 21 G 3.6160 8.0538 104.3169 47.7198 0.0000 175.2076 22 Q 4.1414 8.7240 120.7991 58.8300 28.9231 178.8407 23 L 3.9198 8.5135 121.4859 58.2257 41.9284 178.5538 24 D 4.6089 8.4141 117.9729 56.1812 40.8183 177.7679 25 G 3.8505 7.6753 104.6909 43.9247 0.0000 174.0425 26 L 3.9313 7.0027 121.1809 54.1340 42.1377 177.9678 27 A 4.0674 8.1754 123.7964 53.7068 18.7502 177.2745 28 F 5.1500 6.5195 110.4560 54.3290 41.4036 175.4110 29 G 4.1942 9.4600 107.3644 46.0059 0.0000 172.5899 30 A 5.5397 9.4682 125.0173 50.2922 22.6950 174.9685 31 I 4.9898 9.1168 123.5752 59.4661 41.1242 174.3306 32 Q 4.6522 8.9187 127.6785 54.1368 31.2540 174.1397 33 L 5.3408 8.8310 126.4163 52.9077 45.3805 176.4718 34 D 5.4334 8.1794 121.5608 51.5929 40.9270 177.4611 35 G 3.6671 8.8296 107.2350 48.3315 0.0000 174.0950 36 D 4.6742 8.4899 117.6746 54.4472 41.4022 177.1913 37 G 4.0640 8.8878 108.6846 45.5214 0.0000 173.2968 38 N 4.9199 8.5222 117.5925 52.8509 39.3698 174.2131 39 I 4.4583 8.4860 123.3765 61.0709 37.7953 176.5575 40 L 4.1974 9.0244 128.3882 56.8190 42.4390 177.3893 41 Q 4.7318 7.6973 115.4192 54.6633 33.7144 174.0280 42 Y 5.0188 8.4539 121.7677 57.0730 41.7359 173.9114 43 N 5.0136 8.8008 125.0455 51.7017 39.7720 176.2580 44 A 4.0538 9.1196 120.7615 55.3145 18.1034 179.8007 45 A 3.9789 7.9191 117.8241 55.1626 18.7455 179.0363 46 E 4.1302 8.4217 117.4951 59.4922 29.7591 179.1218 47 G 3.9255 8.1399 105.2878 48.0652 0.0000 175.3273 48 D 4.4383 8.0374 120.1817 57.0388 40.8150 178.4481 49 I 4.0732 7.6125 119.9643 63.5636 37.4302 177.4018 50 T 4.5523 8.1008 107.7445 60.8746 70.0117 175.6794 51 G 3.9750 8.3514 109.1491 45.4370 0.0000 173.8717 52 R 4.0452 7.6936 118.6057 55.4964 31.0610 175.6714 53 D 4.5267 8.4711 121.7743 53.1538 41.8295 175.1329 54 P 4.2322 0.0000 0.0000 65.6076 31.0965 178.7034 55 K 3.9463 8.0451 116.1670 58.5607 32.0819 178.3665 56 Q 4.3742 7.7541 115.9509 56.3276 29.6666 177.3448 57 V 3.8009 7.3450 112.8475 61.3616 31.9137 175.9256 58 I 4.0245 6.3630 118.6490 62.8020 37.2475 176.3612 59 G 3.9778 9.1225 114.7450 45.1872 0.0000 173.9779 60 K 4.1844 7.7628 119.1328 55.7023 33.1501 175.3877 61 N 4.9362 8.3459 119.5374 52.4844 39.8384 175.4866 62 F 3.8503 9.1042 129.0881 61.3383 39.6049 177.2707 63 F 3.7560 7.6573 117.2672 59.7308 39.0496 176.7668 64 K 4.0536 8.3167 121.0082 58.3274 32.3657 176.8545 65 D 4.6614 7.8496 115.9292 55.5462 43.0956 177.6647 66 V 3.6116 7.5667 116.8146 64.9130 32.4699 175.9794 67 A 4.3395 7.2588 120.8438 49.5577 18.5328 174.8352 68 P 4.1439 0.0000 0.0000 64.9425 31.9686 179.2718 69 C 4.2739 7.7935 112.7729 60.4101 29.9258 174.1523 70 T 4.1804 7.6966 110.1585 61.9953 68.7966 174.2244 71 D 5.2824 7.7279 123.4680 53.0386 39.6493 174.8521 72 S 4.7700 7.9329 117.3517 55.9598 66.0435 174.5725 73 P 4.2282 0.0000 0.0000 65.6504 31.2105 178.8104 74 E 3.8742 8.2536 116.3066 58.0027 29.5526 175.9794 75 F 4.4129 7.3902 117.2509 57.8146 42.1523 175.5825 76 Y 4.1820 8.3884 120.2771 61.1132 39.0508 178.8922 77 G 3.4584 8.3919 106.3796 47.8066 0.0000 175.8844 78 K 4.1997 7.7077 120.5459 58.8340 31.9005 179.2641 79 F 4.1591 8.4617 121.4025 61.2331 39.4524 177.1949 80 K 3.7122 8.3709 118.7199 60.1436 32.0888 178.8006 81 E 3.9810 8.2133 119.7760 59.0509 29.4257 179.5737 82 G 3.4763 8.0074 105.8403 47.3576 0.0000 175.9371 83 V 3.0835 7.3093 119.9407 65.7424 31.4594 177.7563 84 A 4.0756 7.6063 119.4352 55.0447 18.3246 179.4738 85 S 4.2466 8.1251 111.8390 59.3347 63.3092 175.7200 86 G 3.9898 7.8306 108.9889 45.6554 0.0000 172.8858 87 N 4.9824 7.8356 117.2876 52.5217 39.6469 174.1481 88 L 3.9909 8.1498 119.4962 55.4719 43.3067 175.1172 89 N 5.0955 8.6013 120.5876 53.5954 40.4600 172.7672 90 T 4.9009 9.1409 119.7528 60.6026 71.7191 171.9964 91 M 5.3908 8.5946 125.3963 53.7803 35.9573 174.3400 92 F 4.9938 8.4388 116.6112 56.0844 41.8790 172.9475 93 E 4.9575 8.9311 118.9807 56.3155 30.9222 174.9778 94 Y 4.8434 8.7770 122.0468 57.1625 43.2682 173.1277 95 T 5.0913 7.9105 118.6915 61.7552 71.4140 173.5107 96 F 5.3956 9.2436 125.8398 55.8844 40.8772 176.7176 97 D 4.8665 8.7788 120.6028 53.7136 39.3024 173.7714 98 Y 4.5168 8.2270 121.7991 57.7478 39.5443 175.3925 99 Q 3.3705 8.2023 127.1039 56.1028 26.5432 173.0587 100 M 4.6779 7.1550 110.6678 54.1427 34.3572 174.4722 101 T 3.9044 8.3908 116.8008 63.1633 69.0578 172.5301 102 P 4.6176 0.0000 0.0000 63.7269 32.0754 175.7976 103 T 4.6389 9.1078 121.0835 61.4789 72.3876 173.5256 104 K 4.5606 8.7001 126.5313 56.4820 33.5541 176.6289 105 V 4.8889 8.9579 117.2785 59.4901 36.7419 173.9506 106 K 4.9329 8.6505 122.9971 54.7527 34.5493 174.9013 107 V 4.9360 8.6945 126.8162 61.2912 34.6770 173.7059 108 H 5.2181 9.2895 126.5301 54.8423 32.8195 171.5733 109 M 5.0959 9.0276 126.3780 53.7788 34.2293 175.2871 110 K 5.1504 8.9413 123.7571 54.5242 36.3930 175.0486 111 K 4.4832 8.9638 128.7330 56.7177 32.6969 176.4765 112 A 4.6695 8.2363 129.0341 51.0252 19.8507 177.5928 113 L 4.1285 8.4397 117.7166 55.4775 42.8174 178.1618 *116 D 4.7026 8.2120 118.2258 52.9529 41.9262 175.1166 117 S 4.7454 7.0777 114.9623 57.1959 67.9077 172.1671 118 Y 4.8357 8.6404 120.4148 56.0725 41.9664 174.5233 119 W 4.9456 9.3262 124.3202 55.6157 31.4206 175.5520 120 V 4.5410 8.8552 123.5941 61.2711 33.4633 174.1246 121 F 5.7933 9.0786 127.3562 55.9737 41.8260 175.1221 122 V 5.2441 9.3579 121.8566 61.2746 35.0992 174.2300 123 K 4.9038 8.7200 125.1433 54.9435 36.2937 175.8608 124 R 4.4213 8.4973 120.1003 56.3718 31.0552 177.2962 125 V 3.9365 7.9314 113.9559 61.6610 32.3845 175.7025 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 V 8.05 4.01 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 1.01 0.00 0.00 0.87 0.00 0.00 5 A 8.18 4.34 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 6 F 8.65 2.97 0.00 2.54 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.34 4.17 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 4.01 0.00 2.04 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 2.25 2.27 0.00 10 D 7.73 4.93 0.00 2.79 2.84 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 11 I 7.60 3.49 1.66 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.95 0.77 0.00 0.00 12 E 8.11 4.04 0.00 2.43 2.33 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 2.43 2.44 0.00 13 N 7.96 4.36 0.00 2.91 2.92 0.00 0.00 7.03 7.14 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 14 T 7.72 4.02 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 1.16 0.00 0.00 15 L 8.05 4.05 0.00 1.47 1.26 0.75 0.05 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 16 A 7.73 4.28 1.46 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 0.00 0.00 0.00 17 K 7.73 4.22 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.64 7.81 18 M 7.42 4.70 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 19 D 9.34 4.79 0.00 2.84 2.84 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 20 D 8.59 4.48 0.00 2.77 2.79 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 21 G 8.05 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 22 Q 8.72 4.14 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 23 L 8.51 3.92 0.00 1.91 1.83 1.01 1.48 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 24 D 8.41 4.61 0.00 2.84 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 25 G 7.68 3.85 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 26 L 7.00 3.93 0.00 1.24 0.51 0.52 0.31 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 27 A 8.18 4.07 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 28 F 6.52 5.15 0.00 3.49 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 29 G 9.46 4.19 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 0.00 0.00 0.00 30 A 9.47 5.54 1.46 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 0.00 0.00 0.00 31 I 9.12 4.99 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.47 0.82 0.00 0.00 32 Q 8.92 4.65 0.00 1.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 33 L 8.83 5.34 0.00 1.79 1.60 0.24 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.18 5.43 0.00 3.02 2.87 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 0.00 0.00 0.00 35 G 8.83 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 36 D 8.49 4.67 0.00 2.92 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 37 G 8.89 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 0.00 0.00 0.00 38 N 8.52 4.92 0.00 3.11 2.75 0.00 0.00 7.00 7.02 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 39 I 8.49 4.46 2.03 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 1.27 0.83 1.00 0.00 0.00 40 L 9.02 4.20 0.00 1.44 1.64 0.81 0.84 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 41 Q 7.70 4.73 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 42 Y 8.45 5.02 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 5.01 0.00 3.03 2.99 0.00 0.00 6.43 8.15 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 44 A 9.12 4.05 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 45 A 7.92 3.98 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 46 E 8.42 4.13 0.00 1.96 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 1.47 2.14 0.00 47 G 8.14 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 0.00 0.00 0.00 48 D 8.04 4.44 0.00 2.90 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 49 I 7.61 4.07 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.68 1.07 0.00 0.00 50 T 8.10 4.55 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 1.47 0.00 0.00 51 G 8.35 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 52 R 7.69 4.05 0.00 1.89 1.66 0.00 3.26 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 53 D 8.47 4.53 0.00 2.69 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 54 P 0.00 4.23 0.00 2.29 2.58 0.00 3.70 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 55 K 8.05 3.95 0.00 1.71 1.86 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.63 7.81 56 Q 7.75 4.37 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 57 V 7.35 3.80 1.76 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 0.65 0.00 0.00 0.06 0.00 0.00 58 I 6.36 4.02 1.85 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 1.38 0.75 0.96 0.00 0.00 59 G 9.12 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 0.00 0.00 0.00 60 K 7.76 4.18 0.00 1.92 1.66 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.31 7.81 61 N 8.35 4.94 0.00 2.81 2.64 0.00 0.00 6.54 7.71 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 62 F 9.10 3.85 0.00 2.72 2.28 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 F 7.66 3.76 0.00 2.44 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 0.00 0.00 0.00 64 K 8.32 4.05 0.00 1.67 1.75 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.35 7.81 65 D 7.85 4.66 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.57 3.61 1.77 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 0.64 0.00 0.00 0.81 0.00 0.00 67 A 7.26 4.34 -0.19 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 0.00 0.00 68 P 0.00 4.14 0.00 1.87 1.92 0.00 3.37 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.00 69 C 7.79 4.27 0.00 3.23 3.17 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 70 T 7.70 4.18 2.83 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 0.00 0.00 0.60 0.00 0.00 71 D 7.73 5.28 0.00 2.77 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 72 S 7.93 4.77 0.00 4.31 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 0.00 73 P 0.00 4.23 0.00 2.21 2.13 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 74 E 8.25 3.87 0.00 2.21 2.14 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 2.39 2.38 0.00 75 F 7.39 4.41 0.00 2.70 2.83 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 0.00 0.00 0.00 76 Y 8.39 4.18 0.00 2.98 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 77 G 8.39 3.46 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 0.00 0.00 0.00 0.00 78 K 7.71 4.20 0.00 2.04 1.89 0.00 1.28 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.48 7.81 79 F 8.46 4.16 0.00 3.40 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 80 K 8.37 3.71 0.00 1.86 1.81 0.00 1.12 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.06 1.67 7.81 81 E 8.21 3.98 0.00 2.16 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 2.26 2.41 0.00 82 G 8.01 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.31 3.08 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 0.55 0.00 0.00 -0.78 0.00 0.00 84 A 7.61 4.08 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 85 S 8.13 4.25 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 86 G 7.83 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 87 N 7.84 4.98 0.00 2.67 2.75 0.00 0.00 7.03 7.94 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 88 L 8.15 3.99 0.00 1.80 1.67 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.60 5.10 0.00 2.75 2.71 0.00 0.00 6.92 7.70 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 90 T 9.14 4.90 4.33 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 1.42 0.00 0.00 91 M 8.59 5.39 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 92 F 8.44 4.99 0.00 3.12 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 93 E 8.93 4.96 0.00 1.98 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 2.32 2.36 0.00 94 Y 8.78 4.84 0.00 3.40 2.93 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 95 T 7.91 5.09 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 1.30 0.00 0.00 96 F 9.24 5.40 0.00 3.02 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 97 D 8.78 4.87 0.00 2.78 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 98 Y 8.23 4.52 0.00 2.95 2.83 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 0.00 0.00 0.00 99 Q 8.20 3.37 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.50 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 100 M 7.16 4.68 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.76 0.00 101 T 8.39 3.90 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 0.00 102 P 0.00 4.62 0.00 1.96 2.06 0.00 3.64 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 2.06 2.17 0.00 103 T 9.11 4.64 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 1.24 0.00 0.00 104 K 8.70 4.56 0.00 1.69 1.70 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.47 7.81 105 V 8.96 4.89 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 0.53 0.00 0.00 0.22 0.00 0.00 106 K 8.65 4.93 0.00 1.69 1.36 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.62 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.37 7.81 107 V 8.69 4.94 0.67 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 0.46 0.00 0.00 0.91 0.00 0.00 108 H 9.29 5.22 0.00 2.79 2.80 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.03 5.10 0.00 2.16 2.09 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 2.52 2.57 0.00 110 K 8.94 5.15 0.00 1.75 1.75 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.66 7.81 111 K 8.96 4.48 0.00 1.96 1.78 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.68 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 112 A 8.24 4.67 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 0.00 113 L 8.44 4.13 0.00 1.71 1.63 1.01 1.03 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 *116 D 8.21 4.70 0.00 2.58 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 0.00 117 S 7.08 4.75 0.00 3.33 3.41 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 0.00 118 Y 8.64 4.84 0.00 3.21 2.95 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 0.00 119 W 9.33 4.95 0.00 2.96 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.86 4.54 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 1.19 0.00 0.00 0.87 0.00 0.00 121 F 9.08 5.79 0.00 2.88 2.79 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 0.00 122 V 9.36 5.24 2.52 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 1.23 0.00 0.00 1.35 0.00 0.00 123 K 8.72 4.90 0.00 1.57 1.44 0.00 1.00 0.00 0.00 0.82 0.00 0.00 2.21 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.85 7.81 124 R 8.50 4.42 0.00 1.67 1.87 0.00 3.14 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 125 V 7.93 3.94 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 0.57 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.