NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5428 8.0976 120.9927 56.7273 31.9201 173.6978 2 V 4.9077 8.2654 119.9955 58.6199 33.7106 173.2442 3 Q 5.0190 9.1028 123.5585 54.1492 32.8581 175.7987 4 S 4.2860 8.3211 114.8760 57.2369 66.8273 173.6027 5 G 3.6293 5.9526 105.1699 46.1080 0.0000 171.2370 6 K 5.0387 8.5594 120.3886 55.4966 35.4679 176.2856 7 I 4.4845 9.0780 129.0306 59.8519 39.4325 174.6542 8 N 4.9696 8.7871 125.9616 52.3121 38.4381 175.9487 9 C 4.2517 9.2023 123.3604 57.8489 39.4328 176.0836 10 G 3.8054 8.3542 106.7582 44.9572 0.0000 171.9235 11 D 4.7023 8.7723 118.3741 53.8732 41.9271 177.4188 12 D 3.3700 7.9462 123.0701 53.0454 39.6835 178.1930 13 A 3.9079 8.1253 124.2112 55.2538 18.4076 179.1823 14 G 3.9287 7.6425 101.7052 46.7673 0.0000 174.1844 15 W 4.6077 7.7146 120.1504 56.6082 29.9687 176.0321 16 A 4.5450 8.4981 124.7732 51.0513 19.9813 177.0190 17 K 4.4603 8.6092 120.2924 56.6447 32.6700 177.0372 18 V 4.7340 8.5552 117.7016 58.6365 35.6915 173.6472 19 P 4.4524 0.0000 0.0000 61.9829 32.0756 176.2985 20 S 4.2458 8.7514 117.7546 58.8521 62.7166 173.2000 21 D 4.8120 8.7197 124.7474 52.8112 39.7717 175.1510 22 D 4.6861 7.9426 119.8105 51.9622 43.0179 174.6151 23 P 4.1942 0.0000 0.0000 65.3490 31.4877 177.5773 24 G 3.9057 7.9842 104.6636 45.7587 0.0000 173.4552 25 R 4.7462 8.0422 119.2036 54.1424 32.9662 174.4718 26 D 4.8715 8.2780 119.4584 52.0651 43.0160 174.0159 27 N 4.2658 8.7206 114.0603 54.6184 37.4483 173.7274 28 T 4.4963 7.8148 107.6087 61.6013 70.6189 174.6441 29 R 5.1711 8.5039 125.7039 54.4760 34.0482 174.7775 30 E 4.8986 8.7055 116.0285 55.8127 34.1758 174.4568 31 L 4.2383 7.5579 130.5031 53.8383 42.2887 174.5307 32 A 4.5355 8.1629 127.8985 50.1922 19.2391 176.2670 33 K 4.2019 8.2930 121.0881 56.5858 34.3533 176.2060 34 N 4.7970 8.3045 120.0035 51.9523 40.8936 173.4390 35 I 3.9747 7.6450 127.3794 60.3609 39.1640 175.2910 36 T 4.6486 7.8498 121.0862 61.2927 71.0742 174.0937 37 F 4.5862 7.9646 125.2477 57.8824 39.6919 175.3763 38 A 4.0775 9.2554 128.6636 55.0684 18.3450 178.0657 39 S 4.5886 7.5540 114.9514 55.9635 63.0356 172.6963 40 P 4.4847 0.0000 0.0000 63.2339 31.9845 175.9538 41 Y 4.5462 8.7415 118.5739 57.1024 39.4595 176.2144 42 C 4.6401 8.8129 117.4872 58.8693 31.4016 174.7507 43 R 4.6779 7.7626 117.8885 53.0607 31.5660 178.4796 44 P 4.4138 0.0000 0.0000 62.0587 31.6584 174.6148 45 P 4.4300 0.0000 0.0000 62.1101 32.6635 176.0742 46 V 3.7360 8.1921 121.7676 62.8385 32.4839 174.8162 47 V 5.3817 8.2170 127.3268 60.2354 33.8054 174.0913 48 L 4.7746 8.4666 128.6926 53.3233 44.6779 174.6999 49 L 5.1424 8.4496 124.6885 53.3013 44.3774 175.7385 50 S 4.7022 8.7603 115.7238 56.7783 66.2698 172.6077 51 I 4.8147 8.4990 127.6089 60.5312 37.8477 175.4470 52 T 4.7152 8.5445 115.4296 60.9435 70.5729 173.7145 53 Q 4.5116 7.8999 123.6515 55.7214 32.0677 172.8340 54 L 5.3362 8.6153 126.0877 53.2321 45.5378 176.4822 55 D 4.6630 9.0959 122.4412 52.7570 43.0600 173.3767 56 V 4.6689 8.0391 123.3854 60.0165 35.0122 174.3895 57 E 4.1898 8.4068 128.3911 56.6462 29.8290 177.7915 58 Q 4.1444 8.8838 124.9456 58.3545 29.3775 177.1263 59 S 4.3085 7.7087 110.9589 59.6124 63.5303 173.7795 60 Q 4.5221 7.2639 120.4112 53.6455 32.0108 174.1983 61 N 4.1944 8.5550 120.1400 53.1793 39.0251 174.8211 62 L 3.8267 8.3350 123.8053 55.3968 41.6560 176.6337 63 R 4.1904 7.6553 126.1297 54.3487 31.7872 175.6637 64 V 5.1323 8.2627 115.7968 59.9035 36.3896 174.9724 65 I 4.7751 9.1956 122.7136 59.7880 41.5441 174.7089 66 A 4.5892 8.7770 128.3136 50.7555 18.9623 175.7772 67 R 4.1525 8.9495 122.1926 55.9808 32.0793 175.0550 68 L 4.6595 8.1110 127.4301 53.5641 42.9239 175.4965 69 Y 4.2293 8.9535 123.9742 59.6535 37.2844 176.1469 70 S 4.8344 7.9265 111.7540 56.8862 67.5892 172.3131 71 V 4.8099 8.3209 119.9270 61.4970 34.2451 174.5306 72 S 4.9096 9.0012 122.2018 55.6484 65.8754 172.9950 73 P 4.5339 0.0000 0.0000 65.1596 31.5675 178.5573 74 T 4.4403 8.3332 114.5940 63.0972 69.4239 174.8531 75 G 3.3527 6.8252 106.3678 45.6170 0.0000 170.6403 76 F 5.1191 6.4452 111.8420 56.0430 41.2638 173.0284 77 K 4.7705 8.7000 122.7715 55.5005 33.4889 175.1046 78 A 5.4976 8.5479 128.3738 50.9078 23.5413 174.3634 79 S 4.8061 8.9550 112.0567 57.3735 66.9426 173.0750 80 C 4.9359 8.4309 119.7485 56.9692 42.6948 172.1425 81 Y 5.3418 8.9030 123.3972 56.4334 41.9725 173.7716 82 T 5.6450 8.9259 119.7573 60.6395 71.8056 171.8819 83 W 5.7655 7.9502 120.2380 54.9001 31.3295 176.2456 84 H 4.0701 9.3351 120.3926 57.8987 28.5648 175.7417 85 N 4.5678 8.4670 113.6637 52.4215 37.8895 175.5382 86 T 3.5759 7.5000 115.7694 64.3321 69.1175 172.8860 87 K 4.2391 8.1842 125.8109 54.5252 35.0103 174.6842 88 V 4.0628 8.2992 129.1700 62.0929 32.1725 176.0722 89 Y 4.4663 8.5854 126.5749 60.3173 39.5695 175.7494 90 S 4.7741 7.7670 112.2783 57.5351 66.3290 173.3474 91 M 5.9153 8.6609 123.3648 53.7616 35.6737 173.5869 92 S 5.4365 8.9481 121.5997 56.9269 66.6626 173.4096 93 I 5.2425 9.0954 123.6586 58.6002 40.0655 174.7183 94 S 5.1219 8.3510 121.6215 57.3295 65.1282 173.3522 95 W 5.7684 8.2633 118.1315 55.1919 32.2601 173.3517 96 I 5.3518 8.8900 119.5227 59.5032 41.8318 174.0290 97 S 5.0224 9.4470 121.2452 56.9783 65.9953 172.8855 98 I 4.5007 8.5359 127.5235 60.3310 40.4114 175.7827 *99 E 4.1265 8.6691 121.3059 56.3267 29.0323 177.7715 100 N 3.8799 8.3349 120.8512 54.1956 39.4603 174.8003 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 1 R 8.10 4.54 0.00 1.52 1.88 0.00 3.15 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 2 V 8.27 4.91 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 1.03 0.00 0.00 1.02 0.00 0.00 3 Q 9.10 5.02 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 4 S 8.32 4.29 0.00 3.56 3.59 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 5 G 5.95 3.63 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 0.00 0.00 0.00 6 K 8.56 5.04 0.00 1.68 1.67 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.73 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.41 7.81 7 I 9.08 4.48 2.11 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 1.37 1.05 0.94 0.00 0.00 8 N 8.79 4.97 0.00 2.66 2.85 0.00 0.00 7.22 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 9 C 9.20 4.25 0.00 3.19 2.91 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 10 G 8.35 3.81 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 0.00 0.00 0.00 11 D 8.77 4.70 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 3.37 0.00 1.82 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 0.00 0.00 0.00 13 A 8.13 3.91 1.32 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 0.00 0.00 14 G 7.64 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 15 W 7.71 4.61 0.00 3.21 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 16 A 8.50 4.55 1.25 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 17 K 8.61 4.46 0.00 1.68 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.50 7.81 18 V 8.56 4.73 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 0.78 0.00 0.00 1.02 0.00 0.00 19 P 0.00 4.45 0.00 2.19 2.08 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 20 S 8.75 4.25 0.00 3.91 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 21 D 8.72 4.81 0.00 2.79 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 22 D 7.94 4.69 0.00 2.52 2.35 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 23 P 0.00 4.19 0.00 2.06 2.09 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 24 G 7.98 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 25 R 8.04 4.75 0.00 1.70 1.60 0.00 2.53 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.32 0.00 26 D 8.28 4.87 0.00 2.82 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 27 N 8.72 4.27 0.00 2.96 3.06 0.00 0.00 6.67 7.22 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 28 T 7.81 4.50 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 1.35 0.00 0.00 29 R 8.50 5.17 0.00 1.88 2.14 0.00 3.10 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 30 E 8.71 4.90 0.00 2.12 1.78 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 2.12 2.20 0.00 31 L 7.56 4.24 0.00 0.27 0.60 0.76 0.92 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 32 A 8.16 4.54 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 33 K 8.29 4.20 0.00 1.56 1.60 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.48 7.81 34 N 8.30 4.80 0.00 2.53 2.54 0.00 0.00 7.01 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 35 I 7.65 3.97 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.11 0.26 0.00 0.00 36 T 7.85 4.65 4.16 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 1.21 0.00 0.00 37 F 7.96 4.59 0.00 3.21 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.26 4.08 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 39 S 7.55 4.59 0.00 3.74 3.76 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 40 P 0.00 4.48 0.00 2.07 2.11 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 41 Y 8.74 4.55 0.00 3.25 3.01 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 0.00 0.00 0.00 42 C 8.81 4.64 0.00 3.10 3.08 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 43 R 7.76 4.68 0.00 1.82 1.71 0.00 3.29 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 44 P 0.00 4.41 0.00 2.01 2.23 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 45 P 0.00 4.43 0.00 1.41 0.49 0.00 3.89 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.54 0.00 46 V 8.19 3.74 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 0.83 0.00 0.00 0.87 0.00 0.00 47 V 8.22 5.38 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 0.16 0.00 0.00 0.69 0.00 0.00 48 L 8.47 4.77 0.00 1.78 1.48 0.92 0.63 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 49 L 8.45 5.14 0.00 1.57 1.61 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.76 4.70 0.00 3.91 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 51 I 8.50 4.81 1.93 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 1.48 0.76 1.04 0.00 0.00 52 T 8.54 4.72 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 1.24 0.00 0.00 53 Q 7.90 4.51 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 54 L 8.62 5.34 0.00 1.56 1.55 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 55 D 9.10 4.66 0.00 2.77 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 56 V 8.04 4.67 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 0.76 0.00 0.00 0.90 0.00 0.00 57 E 8.41 4.19 0.00 1.82 1.60 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 2.23 2.33 0.00 58 Q 8.88 4.14 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 59 S 7.71 4.31 0.00 4.03 4.02 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 0.00 0.00 0.00 0.00 60 Q 7.26 4.52 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 61 N 8.55 4.19 0.00 2.63 2.64 0.00 0.00 6.91 7.85 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 62 L 8.34 3.83 0.00 1.53 1.57 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.66 4.19 0.00 0.80 0.66 0.00 2.59 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.06 0.00 64 V 8.26 5.13 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 0.78 0.00 0.00 1.03 0.00 0.00 65 I 9.20 4.78 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.87 0.00 0.00 66 A 8.78 4.59 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 67 R 8.95 4.15 0.00 1.78 1.77 0.00 2.54 0.00 0.00 2.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.14 0.00 68 L 8.11 4.66 0.00 1.57 1.46 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.95 4.23 0.00 3.02 2.92 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 0.00 0.00 0.00 70 S 7.93 4.83 0.00 3.86 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 71 V 8.32 4.81 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 0.96 0.00 0.00 0.88 0.00 0.00 72 S 9.00 4.91 0.00 4.03 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 73 P 0.00 4.53 0.00 2.37 2.18 0.00 3.65 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 2.17 2.16 0.00 74 T 8.33 4.44 4.28 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 1.16 0.00 0.00 75 G 6.83 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 0.00 0.00 0.00 76 F 6.45 5.12 0.00 3.20 2.96 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 0.00 0.00 0.00 77 K 8.70 4.77 0.00 1.73 1.68 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.28 7.81 78 A 8.55 5.50 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 79 S 8.96 4.81 0.00 3.91 4.03 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 80 C 8.43 4.94 0.00 1.79 2.67 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 81 Y 8.90 5.34 0.00 3.14 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 82 T 8.93 5.65 4.48 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 1.21 0.00 0.00 83 W 7.95 5.77 0.00 3.50 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 84 H 9.34 4.07 0.00 3.35 2.90 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.47 4.57 0.00 2.72 2.72 0.00 0.00 5.86 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 86 T 7.50 3.58 4.12 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 1.07 0.00 0.00 87 K 8.18 4.24 0.00 1.57 1.27 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.96 0.34 7.81 88 V 8.30 4.06 1.26 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 0.90 0.00 0.00 0.79 0.00 0.00 89 Y 8.59 4.47 0.00 3.21 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 90 S 7.77 4.77 0.00 3.96 3.74 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 91 M 8.66 5.92 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 92 S 8.95 5.44 0.00 3.86 3.79 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 93 I 9.10 5.24 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.16 1.14 0.00 0.00 94 S 8.35 5.12 0.00 3.85 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 95 W 8.26 5.77 0.00 3.47 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.89 5.35 1.90 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 1.34 1.45 0.95 0.00 0.00 97 S 9.45 5.02 0.00 3.66 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 0.00 98 I 8.54 4.50 1.83 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 1.10 0.84 0.92 0.00 0.00 *99 E 8.67 4.13 0.00 1.79 1.67 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 2.26 2.18 0.00 100 N 8.33 3.88 0.00 2.80 2.81 0.00 0.00 6.70 7.56 0.00 0.00 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.