NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 V 4.1376 8.0544 120.6487 62.8124 32.7846 173.9561 17 L 4.5737 8.2486 130.3811 52.3941 44.5573 169.6743 18 V 4.6320 9.0480 126.8244 61.1873 34.6489 173.4050 19 I 4.4903 8.5358 129.6239 59.6324 39.2864 174.7229 20 R 4.7874 8.7613 129.2066 55.2115 31.3267 175.1814 21 I 4.5712 8.6275 129.3623 59.2141 38.6473 175.4760 22 K 4.3271 8.3644 130.1892 56.5150 32.4867 175.9599 23 I 4.7786 8.0337 119.3621 58.0831 40.8232 173.5602 24 P 4.3383 0.0000 0.0000 63.8753 31.9846 175.6540 25 N 4.0907 9.0609 114.7092 54.9781 34.9498 175.4198 26 S 4.0788 8.4630 109.5425 58.7614 60.7729 169.9543 27 G 4.3235 7.6765 107.3849 44.7325 0.0000 172.4730 28 A 5.0911 8.2154 120.0799 50.2926 22.6751 175.6610 29 V 4.2135 8.7386 121.2912 61.3935 33.5224 174.3809 30 D 5.1401 8.7187 128.1834 53.1625 42.1018 175.4514 31 W 4.8736 9.3740 134.6905 56.0413 32.7385 174.8385 32 T 4.5696 8.7574 124.8599 62.5888 68.9336 174.3194 33 V 3.6804 8.2982 128.2996 61.6514 32.8325 174.8297 34 H 5.0743 8.8609 127.1025 55.1195 30.9131 175.1641 35 S 4.5677 8.4025 116.8942 55.9567 63.7416 173.1560 *37 P 4.2003 0.0000 0.0000 62.3272 32.1025 177.0213 38 Q 4.1151 8.6061 121.4585 54.4729 28.6376 172.5332 39 L 4.2815 8.5400 125.6784 53.9024 42.8940 176.4657 40 L 5.0273 8.7343 125.9980 52.7721 45.2748 177.1861 41 F 4.3980 9.5577 124.3542 61.9280 39.3033 177.7790 42 R 3.7664 8.1782 117.5460 59.5120 29.8846 178.0537 43 D 4.3483 8.0207 118.2800 57.2147 40.8426 178.7598 44 V 3.6830 7.7346 118.3834 66.0696 31.5179 178.0620 45 L 3.8829 7.6642 118.7095 57.7956 41.4723 179.2710 46 D 4.2203 8.0814 118.8260 57.3323 40.7799 179.0776 47 V 3.1946 7.4080 118.6027 65.7815 31.3936 178.0256 48 I 3.6791 7.7439 119.8065 64.4270 36.7268 178.6102 49 G 3.7838 8.2200 106.5501 47.8290 0.0000 175.8062 50 Q 3.9349 7.4750 119.0762 58.8374 28.8224 178.4861 51 V 3.7827 7.5082 118.2133 64.2241 33.1899 176.1706 52 L 4.7626 8.1838 118.7305 52.2960 41.3734 175.2112 53 P 4.5538 0.0000 0.0000 64.1726 32.1064 178.0095 54 E 4.2683 8.1113 116.4753 56.3775 29.9903 175.5523 55 A 4.6277 7.5967 122.0875 50.5200 20.9125 176.3816 56 T 4.3323 8.2232 115.0156 60.8827 67.9117 173.8686 57 T 4.9768 8.4854 126.0016 62.2104 70.5496 173.8222 58 T 4.6902 8.4207 115.3569 61.3611 70.2553 173.0458 59 A 4.9037 7.7990 123.2778 52.0825 23.0239 174.5930 60 F 5.4515 8.0539 111.0611 56.2428 41.6827 173.3885 61 E 5.9800 9.5999 119.1818 54.4530 32.7201 174.5808 62 Y 5.5731 8.2787 118.7460 55.5976 42.4820 173.4055 63 E 5.0850 9.1136 119.4366 55.0430 31.1493 176.5444 64 D 4.4103 8.5150 125.1064 51.8517 41.3530 176.7311 65 E 4.1347 8.1969 115.9936 59.1105 29.5427 177.2885 66 D 4.4684 8.2329 118.0248 54.3502 41.2074 177.4165 67 G 3.9625 8.2650 107.8171 45.1987 0.0000 173.4987 68 D 4.5136 7.7655 120.0099 53.9821 42.2604 175.6459 69 R 4.5245 8.4213 122.0763 55.9393 31.0932 175.7617 70 I 4.2421 8.4803 125.5532 59.6303 39.5274 174.9323 71 T 4.6275 8.3982 124.1208 62.7686 69.5639 174.2534 72 V 4.3128 8.7956 126.3625 61.1218 33.4548 175.9335 73 R 4.4346 8.6266 125.4892 54.9616 31.5791 175.4022 74 S 3.9079 6.2094 112.1044 56.1113 66.5028 175.3927 75 D 4.4313 8.3678 122.3090 57.4560 40.6576 178.8384 76 E 3.9565 8.0714 117.6506 59.5968 29.5745 178.9881 77 E 3.9842 7.9821 119.0855 59.2291 29.4521 178.9433 78 M 4.1590 8.1855 118.3337 58.5420 32.2854 178.4483 79 K 3.9890 8.4260 118.6957 59.4415 32.3094 179.1571 80 A 4.0553 7.9517 120.5929 55.1479 18.1679 179.2251 81 M 3.5971 8.1326 116.7075 58.8692 32.2515 178.5174 82 L 3.6379 7.9689 118.9979 57.6945 41.7518 179.7510 83 S 4.2669 8.2715 115.1363 61.6948 62.8257 175.8373 84 Y 4.2486 7.9419 122.0510 61.0301 38.1429 177.5432 85 Y 3.6844 7.9810 120.2514 60.9412 38.8197 177.8149 86 Y 4.1730 8.0298 117.7796 61.2146 37.9425 178.6794 87 S 4.1304 8.1231 115.9929 62.0030 62.9343 177.0987 88 T 3.6721 7.4673 118.1176 66.4113 68.0727 176.8413 89 V 3.5109 7.3897 120.3126 66.2726 31.4769 177.7088 90 M 4.1730 8.3719 121.1150 59.3039 31.7558 179.3490 91 E 3.9868 8.0544 118.1187 61.1531 29.4476 180.9014 92 Q 4.1542 8.1325 119.1456 58.8177 28.6642 178.9337 93 Q 3.9650 8.2306 119.1670 58.9602 28.5888 178.7759 94 V 3.5613 7.3989 117.5863 66.3237 31.6923 177.2244 95 N 4.6828 8.2215 112.6207 52.8103 38.6628 175.2701 96 G 3.7610 7.7886 110.6769 47.3513 0.0000 174.7632 97 Q 4.4593 8.1213 119.7283 53.2327 29.7336 178.8182 98 L 4.1503 8.2233 118.3325 55.0960 41.3644 177.9527 99 I 4.3730 8.1778 124.4784 59.2115 37.8675 175.2822 100 E 4.7090 8.4363 124.7136 53.6483 31.6692 173.7200 101 P 4.6452 0.0000 0.0000 61.9665 32.9510 175.4273 102 L 3.9440 8.0500 122.4821 54.2559 42.4357 175.1028 103 Q 4.7449 8.5662 128.7469 55.1863 30.0805 174.7128 104 I 4.9949 8.5535 119.3868 59.1351 41.7880 174.6198 105 F 5.0394 9.3644 121.7347 54.9812 41.4852 173.0613 106 P 4.9691 0.0000 0.0000 63.3641 32.4258 176.0984 107 R 4.7085 8.6746 120.1944 54.7577 33.9957 174.9928 108 A 4.6736 8.6755 127.2565 52.1285 18.3791 177.0040 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 16 V 8.05 4.14 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 0.81 0.00 0.00 0.88 0.00 0.00 17 L 8.25 4.57 0.00 1.86 1.35 0.69 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 18 V 9.05 4.63 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 0.90 0.00 0.00 0.88 0.00 0.00 19 I 8.54 4.49 1.82 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.12 0.77 0.00 0.00 20 R 8.76 4.79 0.00 1.89 1.69 0.00 3.02 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 21 I 8.63 4.57 1.88 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 1.00 0.57 0.83 0.00 0.00 22 K 8.36 4.33 0.00 1.23 1.65 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.54 7.81 23 I 8.03 4.78 1.87 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 1.23 0.85 0.94 0.00 0.00 24 P 0.00 4.34 0.00 2.07 2.04 0.00 3.79 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 2.13 0.00 25 N 9.06 4.09 0.00 2.89 2.95 0.00 0.00 7.08 7.57 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 26 S 8.46 4.08 0.00 4.06 4.07 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 27 G 7.68 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 0.00 0.00 0.00 0.00 28 A 8.22 5.09 1.15 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 0.00 0.00 0.00 0.00 0.00 29 V 8.74 4.21 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 0.94 0.00 0.00 0.91 0.00 0.00 30 D 8.72 5.14 0.00 2.61 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 31 W 9.37 4.87 0.00 3.20 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 32 T 8.76 4.57 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 1.06 0.00 0.00 33 V 8.30 3.68 1.69 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 0.60 0.00 0.00 -0.68 0.00 0.00 34 H 8.86 5.07 0.00 3.06 3.19 0.00 5.74 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.40 4.57 0.00 3.62 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 *37 P 0.00 4.20 0.00 2.23 2.16 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 38 Q 8.61 4.12 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.98 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 39 L 8.54 4.28 0.00 1.57 1.64 1.02 0.86 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 40 L 8.73 5.03 0.00 1.94 1.65 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.56 4.40 0.00 3.13 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 42 R 8.18 3.77 0.00 2.03 1.95 0.00 3.26 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 43 D 8.02 4.35 0.00 3.05 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 44 V 7.73 3.68 2.29 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 0.71 0.00 0.00 1.10 0.00 0.00 45 L 7.66 3.88 0.00 1.68 1.56 0.53 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.08 4.22 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 47 V 7.41 3.19 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 0.25 0.00 0.00 -0.46 0.00 0.00 48 I 7.74 3.68 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 0.89 0.00 0.00 49 G 8.22 3.78 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 0.00 0.00 0.00 50 Q 7.47 3.93 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 51 V 7.51 3.78 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 0.78 0.00 0.00 0.82 0.00 0.00 52 L 8.18 4.76 0.00 1.72 1.53 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.55 0.00 2.15 2.14 0.00 3.33 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 54 E 8.11 4.27 0.00 1.97 2.02 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 2.26 2.28 0.00 55 A 7.60 4.63 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 56 T 8.22 4.33 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 1.22 0.00 0.00 57 T 8.49 4.98 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 1.38 0.00 0.00 58 T 8.42 4.69 4.31 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 1.24 0.00 0.00 59 A 7.80 4.90 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 60 F 8.05 5.45 0.00 3.31 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 61 E 9.60 5.98 0.00 2.13 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 2.24 2.15 0.00 62 Y 8.28 5.57 0.00 3.23 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 63 E 9.11 5.08 0.00 2.06 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 2.22 2.34 0.00 64 D 8.51 4.41 0.00 2.43 2.53 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 0.00 0.00 0.00 0.00 65 E 8.20 4.13 0.00 2.21 2.32 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 2.27 2.31 0.00 66 D 8.23 4.47 0.00 2.82 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 67 G 8.26 3.96 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 0.00 0.00 0.00 68 D 7.77 4.51 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 4.52 0.00 1.60 1.90 0.00 3.17 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 70 I 8.48 4.24 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.36 0.70 0.00 0.00 71 T 8.40 4.63 4.18 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 1.16 0.00 0.00 72 V 8.80 4.31 1.27 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 0.78 0.00 0.00 1.18 0.00 0.00 73 R 8.63 4.43 0.00 1.59 1.73 0.00 3.19 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 74 S 6.21 3.91 0.00 3.81 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 75 D 8.37 4.43 0.00 2.73 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 76 E 8.07 3.96 0.00 2.18 2.20 0.00 0.00 0.00 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 2.36 0.00 77 E 7.98 3.98 0.00 2.04 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 2.29 2.24 0.00 78 M 8.19 4.16 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.73 0.00 79 K 8.43 3.99 0.00 2.10 1.89 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.55 7.81 80 A 7.95 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.13 3.60 0.00 2.10 1.63 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.10 0.00 82 L 7.97 3.64 0.00 1.84 1.47 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.27 4.27 0.00 3.96 4.01 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 84 Y 7.94 4.25 0.00 3.16 3.29 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 85 Y 7.98 3.68 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 4.17 0.00 2.97 2.77 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 87 S 8.12 4.13 0.00 4.03 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 88 T 7.47 3.67 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 1.07 0.00 0.00 89 V 7.39 3.51 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 1.01 0.00 0.00 0.13 0.00 0.00 90 M 8.37 4.17 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 91 E 8.05 3.99 0.00 2.00 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 2.24 2.22 0.00 92 Q 8.13 4.15 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 93 Q 8.23 3.96 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 94 V 7.40 3.56 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 0.82 0.00 0.00 0.97 0.00 0.00 95 N 8.22 4.68 0.00 2.80 2.83 0.00 0.00 7.17 8.51 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 96 G 7.79 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 0.00 0.00 0.00 97 Q 8.12 4.46 0.00 2.07 1.89 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 2.25 2.16 0.00 98 L 8.22 4.15 0.00 1.66 1.50 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.18 4.37 1.87 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 1.43 1.65 0.90 0.00 0.00 100 E 8.44 4.71 0.00 2.26 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 2.22 1.83 0.00 101 P 0.00 4.65 0.00 1.98 2.03 0.00 3.39 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 102 L 8.05 3.94 0.00 0.27 0.87 0.75 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.57 4.74 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.56 0.00 0.00 0.00 0.00 0.00 1.40 2.08 0.00 104 I 8.55 4.99 1.84 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.83 0.00 0.00 105 F 9.36 5.04 0.00 2.98 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 0.00 106 P 0.00 4.97 0.00 2.00 2.06 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 107 R 8.67 4.71 0.00 2.04 1.79 0.00 3.38 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 108 A 8.68 4.67 1.27 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.