NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1932 8.0276 120.6134 54.2799 43.0971 176.4648 5 P 4.7340 0.0000 0.0000 61.2709 32.3407 174.2090 6 F 5.0841 8.3097 114.1027 55.5704 41.6251 174.9173 7 K 4.3103 8.8749 119.1567 54.5102 35.2783 175.4540 8 V 4.4606 8.1338 124.0227 61.7935 32.4475 175.0489 9 L 4.5527 8.4167 128.4293 53.0377 43.3575 178.4715 10 G 3.6026 8.7087 110.5224 48.3602 0.0000 174.1389 11 D 4.4886 7.9528 117.4629 53.3752 39.5347 177.2416 12 G 3.7245 8.1529 108.7193 45.2664 0.0000 173.6571 13 S 4.5535 7.7706 115.0985 57.2189 65.8846 172.4424 14 Y 5.4555 8.8795 116.0084 56.3423 42.4861 174.6898 15 L 5.2954 8.8096 121.6965 53.1692 44.5857 175.6195 16 F 5.2696 9.4748 122.5397 55.1668 42.7911 174.8194 17 E 4.4350 9.1300 121.9997 56.6507 30.0489 178.8380 18 G 3.5963 8.9343 113.1403 48.3915 0.0000 175.2793 19 K 4.2337 7.9217 116.3612 57.6384 33.2210 177.2964 20 T 4.0115 7.9124 119.0015 63.6009 69.0091 174.1231 21 S 4.6440 8.5393 121.0121 58.2652 65.0657 175.4078 22 L 3.7902 8.4106 123.7746 57.9247 41.2491 179.9386 23 S 4.1175 8.1171 114.7127 62.1156 62.7323 176.5969 24 D 4.2961 8.2569 121.1536 57.0599 40.4735 178.9964 25 V 3.3902 8.0244 119.1522 66.1185 31.4145 178.3620 26 R 3.8168 8.2594 117.9768 59.2334 29.5037 178.5165 27 H 3.9577 8.3368 118.2248 59.6765 29.7013 177.0647 28 Y 4.1790 7.9408 116.9154 59.9194 37.7124 177.0657 29 L 4.4110 7.7869 117.6905 53.1193 43.0250 176.0063 30 D 4.3486 7.4932 117.4358 55.4146 38.7028 173.4009 31 L 4.6968 7.8433 117.6709 52.1494 44.2345 175.6877 32 P 4.5099 0.0000 0.0000 62.3317 32.0799 177.2788 33 E 3.9292 8.6701 118.8013 59.1204 29.6572 177.7787 34 N 4.7603 7.9957 114.4406 52.4734 37.7428 176.4069 35 A 3.9007 7.6760 124.3537 55.3577 18.4010 179.3176 36 F 4.7110 7.7638 111.5705 56.3811 39.9328 177.4696 37 G 4.6542 7.8506 110.9362 44.9476 0.0000 174.1553 38 E 4.1527 8.9849 117.1014 59.2817 29.7348 178.4934 39 L 4.1786 8.0723 120.1649 58.2456 42.3467 179.2365 40 G 3.5542 8.1527 105.6242 47.6536 0.0000 175.0903 41 D 4.5282 7.6457 119.3353 56.3194 40.9019 177.4980 42 E 4.3591 7.8653 117.5882 56.2139 29.9966 175.8589 43 V 4.5189 7.1145 110.8179 59.8876 36.1627 174.2817 44 D 4.7109 8.4965 118.5207 54.6330 42.8497 175.4341 45 T 4.9910 7.2184 107.9725 58.6704 73.3255 174.3776 46 L 3.4821 8.4188 123.0964 58.2018 41.9494 179.2536 47 S 4.1732 8.1822 114.3822 61.2476 62.7735 176.6671 48 G 3.5049 8.0245 109.3987 47.4611 0.0000 175.3963 49 L 3.7243 7.8728 122.9533 57.6158 42.0101 178.7415 50 F 3.7277 7.9376 120.5450 61.3801 39.2666 177.1713 51 L 4.0953 8.2390 118.6444 57.7558 41.1389 179.1638 52 E 3.9493 8.1341 118.9152 59.0865 29.5884 178.7344 53 I 3.8657 7.6379 119.3019 64.1218 37.3275 177.9180 54 K 4.1146 7.9252 117.2651 55.9644 32.7844 176.7410 55 Q 3.5461 8.3815 117.3940 55.8883 26.7343 172.7216 56 E 4.7362 7.6801 111.7541 54.9053 32.4655 174.6916 57 L 4.1313 8.3152 120.2804 54.2214 42.2274 175.6294 58 P 4.9347 0.0000 0.0000 62.5356 32.8336 174.9076 59 H 4.9408 9.1779 115.8599 53.4029 32.4968 173.5387 60 V 3.7494 8.2557 121.2760 64.8198 31.6625 176.4417 61 G 4.0957 9.0467 115.9652 45.1885 0.0000 173.6354 62 D 4.8823 8.0439 120.1356 54.7532 41.9766 175.5793 63 T 5.6958 8.6438 110.3359 60.4146 72.3565 172.6331 64 A 4.6729 9.0886 122.4278 50.6472 23.0646 175.2822 65 V 4.7467 8.3604 119.2453 61.4198 34.7874 175.1851 66 Y 4.4972 9.0799 127.8523 55.3351 39.6466 173.4489 67 E 4.1241 8.3230 125.3459 56.2089 30.0563 175.4443 68 P 4.4766 0.0000 0.0000 62.6317 31.8821 175.5974 69 F 4.6070 7.8957 118.8231 56.6399 40.3391 174.5498 70 R 4.8664 8.2445 123.0833 54.5228 33.3533 173.8609 71 F 5.9281 9.3867 124.3568 55.9936 42.8931 174.0329 72 Q 5.3073 9.3557 122.3818 54.4305 32.8984 174.0935 73 V 4.1002 8.9773 127.3625 63.2151 31.6982 176.1150 74 T 4.3706 8.6638 118.9149 62.8925 70.5545 174.0742 75 Q 4.4539 7.5439 119.4874 54.7085 32.5521 172.6616 *77 D 4.7848 8.2627 116.4987 53.6580 39.9733 176.4471 78 K 4.2741 8.7092 115.7179 59.2685 32.2911 177.7045 79 R 4.6291 7.7275 113.9096 55.0407 32.2785 175.3217 80 R 4.6434 8.3547 116.4139 53.6980 33.3736 175.3219 81 I 3.7686 8.3228 122.5309 61.6552 37.5116 175.7888 82 I 4.4154 8.5507 118.7293 61.0006 40.1861 175.0804 83 E 5.2546 7.9291 123.2746 54.6531 33.4308 173.6533 84 I 5.1122 8.9684 127.0353 59.3435 41.0016 174.4554 85 K 4.8855 9.2802 128.7953 56.0545 33.7482 175.2728 86 I 5.2710 8.9422 128.4269 59.6946 39.1386 175.6909 87 F 4.6335 9.4047 126.3877 56.4310 39.8098 173.6397 88 P 4.7559 0.0000 0.0000 63.0163 31.6832 176.0422 89 F 5.0396 7.9728 116.4628 55.2371 41.2204 174.5707 90 E 4.2292 8.7688 119.7106 56.6493 29.5055 176.2082 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 L 8.03 4.19 0.00 1.42 1.29 0.68 0.64 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 5 P 0.00 4.73 0.00 2.33 2.34 0.00 3.21 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 2.08 2.24 0.00 6 F 8.31 5.08 0.00 1.83 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 0.00 0.00 0.00 7 K 8.87 4.31 0.00 1.61 1.61 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.21 7.81 8 V 8.13 4.46 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 0.86 0.00 0.00 1.06 0.00 0.00 9 L 8.42 4.55 0.00 1.76 1.52 0.92 0.48 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 10 G 8.71 3.60 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 0.00 0.00 0.00 11 D 7.95 4.49 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.15 3.72 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 0.00 0.00 0.00 13 S 7.77 4.55 0.00 3.92 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 14 Y 8.88 5.46 0.00 3.37 3.24 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 15 L 8.81 5.30 0.00 1.60 1.71 0.94 1.16 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 16 F 9.47 5.27 0.00 2.95 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 17 E 9.13 4.43 0.00 2.00 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 2.35 2.44 0.00 18 G 8.93 3.60 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 0.00 0.00 0.00 19 K 7.92 4.23 0.00 1.87 1.93 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 20 T 7.91 4.01 4.32 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 1.44 0.00 0.00 21 S 8.54 4.64 0.00 4.09 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 22 L 8.41 3.79 0.00 1.67 1.80 0.74 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.12 4.12 0.00 3.84 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 24 D 8.26 4.30 0.00 2.92 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 25 V 8.02 3.39 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 0.70 0.00 0.00 0.42 0.00 0.00 26 R 8.26 3.82 0.00 1.99 1.88 0.00 3.24 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.89 0.00 27 H 8.34 3.96 0.00 3.13 3.22 0.00 5.78 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 28 Y 7.94 4.18 0.00 2.92 2.16 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 29 L 7.79 4.41 0.00 1.66 1.84 0.89 0.17 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 30 D 7.49 4.35 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.84 4.70 0.00 1.45 1.40 0.47 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.51 0.00 2.32 2.17 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 2.02 1.98 0.00 33 E 8.67 3.93 0.00 1.96 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 0.00 2.29 2.28 0.00 34 N 8.00 4.76 0.00 2.88 3.02 0.00 0.00 6.15 7.53 0.00 0.00 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 A 7.68 3.90 0.69 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 0.00 0.00 36 F 7.76 4.71 0.00 2.94 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 37 G 7.85 4.65 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 0.00 0.00 0.00 38 E 8.98 4.15 0.00 2.02 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 2.34 2.42 0.00 39 L 8.07 4.18 0.00 1.85 1.42 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.15 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.65 4.53 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.87 4.36 0.00 2.07 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 2.30 2.46 0.00 43 V 7.11 4.52 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 0.60 0.00 0.00 0.86 0.00 0.00 44 D 8.50 4.71 0.00 2.68 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 45 T 7.22 4.99 4.26 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 1.21 0.00 0.00 46 L 8.42 3.48 0.00 1.47 1.68 0.23 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.18 4.17 0.00 4.02 4.08 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 0.00 0.00 0.00 48 G 8.02 3.50 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 0.00 0.00 0.00 49 L 7.87 3.72 0.00 1.32 1.32 0.57 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.94 3.73 0.00 3.03 3.07 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 0.00 0.00 0.00 51 L 8.24 4.10 0.00 1.87 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.13 3.95 0.00 1.99 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 0.00 2.26 2.36 0.00 53 I 7.64 3.87 1.78 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 1.64 0.73 0.87 0.00 0.00 54 K 7.93 4.11 0.00 1.68 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.00 1.14 7.81 55 Q 8.38 3.55 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 56 E 7.68 4.74 0.00 2.07 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 2.34 2.40 0.00 57 L 8.32 4.13 0.00 1.65 1.62 0.93 1.02 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 P 0.00 4.93 0.00 2.10 2.09 0.00 3.69 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 1.92 1.96 0.00 59 H 9.18 4.94 0.00 3.43 3.21 0.00 5.82 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 60 V 8.26 3.75 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 0.84 0.00 0.00 0.93 0.00 0.00 61 G 9.05 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 62 D 8.04 4.88 0.00 2.98 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 63 T 8.64 5.70 4.41 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 1.37 0.00 0.00 64 A 9.09 4.67 0.69 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 0.00 0.00 65 V 8.36 4.75 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 0.77 0.00 0.00 0.88 0.00 0.00 66 Y 9.08 4.50 0.00 3.35 3.24 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 67 E 8.32 4.12 0.00 1.81 1.75 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 2.21 2.15 0.00 68 P 0.00 4.48 0.00 1.92 1.92 0.00 3.16 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.54 0.00 69 F 7.90 4.61 0.00 3.12 2.37 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 70 R 8.24 4.87 0.00 1.64 1.51 0.00 2.65 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 71 F 9.39 5.93 0.00 3.33 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 72 Q 9.36 5.31 0.00 2.54 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 73 V 8.98 4.10 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 0.84 0.00 0.00 0.05 0.00 0.00 74 T 8.66 4.37 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 1.29 0.00 0.00 75 Q 7.54 4.45 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 *77 D 8.26 4.78 0.00 2.91 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 78 K 8.71 4.27 0.00 1.76 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.45 7.81 79 R 7.73 4.63 0.00 1.84 1.88 0.00 3.25 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 1.54 1.70 0.00 80 R 8.35 4.64 0.00 1.77 1.75 0.00 3.31 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 81 I 8.32 3.77 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.35 0.74 0.00 0.00 82 I 8.55 4.42 1.86 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 1.14 0.86 0.94 0.00 0.00 83 E 7.93 5.25 0.00 2.02 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 0.00 2.31 2.47 0.00 84 I 8.97 5.11 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.40 1.10 0.00 0.00 85 K 9.28 4.89 0.00 1.83 1.75 0.00 1.34 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.12 1.41 7.81 86 I 8.94 5.27 2.44 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.91 1.36 0.00 0.00 87 F 9.40 4.63 0.00 3.00 3.12 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 0.00 0.00 0.00 0.00 88 P 0.00 4.76 0.00 1.98 1.95 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 89 F 7.97 5.04 0.00 2.92 2.99 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 90 E 8.77 4.23 0.00 1.98 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 2.22 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.