NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.3057 8.3493 120.1750 53.8688 41.2035 174.9695 7 W 4.3123 7.8650 124.0382 56.6288 28.8555 176.0296 8 L 3.7816 7.3712 120.6970 57.1828 42.6357 177.0402 9 D 4.2985 7.5912 117.4657 53.7496 40.6682 175.7058 10 F 4.6068 8.3058 126.5109 60.5437 39.4484 177.6922 11 D 5.0239 8.0154 118.4604 53.8282 39.7593 177.7291 12 Q 3.9035 7.9795 122.0315 60.0098 29.2173 177.0054 *21 A 4.3965 7.8409 117.9803 51.1518 20.4016 176.5843 22 L 4.7981 7.8073 114.3043 52.8291 44.4951 176.0298 23 K 4.6895 8.3840 122.1030 53.6222 35.5943 174.5340 24 P 4.4713 0.0000 0.0000 61.3793 31.9960 174.7371 25 P 4.3972 0.0000 0.0000 63.2975 31.4986 176.0299 26 S 4.7219 8.4169 114.7875 57.5739 65.6419 173.1181 27 M 4.8887 8.4220 119.6111 55.5991 33.4687 175.0351 28 Y 5.1290 9.4476 118.1969 56.2286 42.3937 175.0733 29 K 4.7505 9.4064 123.3555 56.1091 34.0079 175.9073 30 V 4.9357 9.2066 124.6152 61.4746 33.5488 174.4741 31 I 4.9885 9.2094 128.7963 59.4125 40.7512 174.0506 32 L 5.0200 8.5978 127.6857 53.4935 43.9376 175.2123 33 V 4.5787 8.5127 126.6855 61.2752 32.9804 174.9822 34 N 4.8400 8.9808 125.9243 53.7443 40.1775 173.5157 35 D 4.7201 8.3455 121.8828 52.5931 42.3061 174.7615 36 D 4.6065 8.6062 118.0253 54.8734 41.3664 176.8553 37 Y 4.4057 8.0753 116.5676 59.5129 39.4374 176.7753 38 T 3.8814 9.0084 117.1811 62.9798 69.2107 172.5302 39 P 4.4142 0.0000 0.0000 62.3812 32.5561 176.8343 40 M 3.9987 8.8958 121.1607 59.1680 32.0102 178.3523 41 E 4.0105 8.2219 118.6574 59.2546 29.7289 178.4413 42 F 4.1985 8.2828 120.5141 61.0246 39.4617 177.3779 43 V 3.6357 7.8962 117.5572 66.1323 31.3983 177.9467 44 I 3.7516 7.6867 119.0986 64.2294 36.8239 177.8404 45 D 4.2852 8.1824 118.9210 57.4344 41.0556 178.5230 46 V 3.7433 7.8271 118.8394 66.1462 31.3647 177.9833 47 L 4.4697 8.2381 118.7282 57.9844 40.9164 179.5781 48 Q 4.3460 8.3724 119.5091 58.2064 28.5460 178.4461 49 K 3.7105 8.1795 119.9611 58.3110 32.2846 177.9075 50 F 4.4411 7.9864 114.9631 57.0091 39.1462 175.9511 51 F 4.7468 7.5390 115.2800 56.0648 40.8159 175.6109 52 S 3.9902 7.8393 114.2434 59.5494 60.8849 171.6851 53 Y 4.3856 7.2512 118.4256 57.6532 38.4259 175.4633 54 D 4.7548 8.5002 122.8543 52.5052 42.2303 177.5016 55 V 3.6060 8.2633 117.9643 66.1439 31.3336 177.4696 56 E 3.9508 8.1398 117.6656 59.7663 29.4082 179.5523 57 R 3.9203 8.4861 117.6744 58.8702 30.0262 179.0098 58 A 3.8542 8.2089 120.8572 55.4177 18.3396 179.7986 59 T 3.8137 8.0975 114.3415 66.9162 68.5381 176.9175 60 Q 3.9849 8.0423 119.9230 59.0293 28.7363 178.9694 61 L 3.9273 8.0248 120.1284 57.7328 41.5589 179.1919 62 M 4.0388 8.3364 118.7761 58.5840 32.1666 178.3357 63 L 3.9830 8.2293 119.1345 57.6761 41.8050 179.2881 64 A 4.0931 8.1945 120.8181 55.0811 18.2919 179.8198 65 V 3.5114 7.8558 116.7358 66.4915 31.4161 177.7103 66 H 4.2486 7.8799 117.9154 58.7119 29.6924 176.1766 67 Y 4.4198 7.9287 117.0548 60.1163 38.3457 177.2328 68 Q 4.3522 8.6336 117.3331 56.2424 29.5060 176.7856 69 G 4.0100 9.5832 109.3251 44.9760 0.0000 173.0395 70 K 4.6804 7.3567 115.2409 56.7269 34.7129 173.6297 71 A 4.6451 7.9676 119.5665 50.6923 22.9778 175.7765 72 I 4.2435 8.3463 122.4482 61.8081 37.1412 175.8851 73 C 4.2835 9.5229 125.9118 60.1937 29.3914 173.7938 74 G 3.9470 7.0907 105.2265 46.1356 0.0000 171.8032 75 V 4.9322 7.4756 119.0496 61.0401 34.0933 174.3904 76 F 5.1958 9.3476 125.6269 55.7859 44.3452 174.1564 77 T 4.3698 8.7404 109.1513 61.4726 69.5529 175.0715 78 A 3.7887 8.3106 125.1280 55.4875 17.9565 179.9102 79 E 3.8141 8.0837 117.0251 59.4722 29.7522 179.1029 80 V 3.5183 7.8989 118.0882 65.7263 31.5827 177.7029 81 A 3.9497 8.5335 120.9953 55.2990 18.3471 179.1535 82 E 3.8123 8.1626 117.6524 59.6757 29.6032 179.2975 83 T 3.8107 7.5581 115.4039 66.5077 68.4787 176.8485 84 K 3.7169 8.0095 120.5599 59.3887 32.0526 179.4539 85 V 3.5637 7.8922 118.2023 66.0571 31.4464 177.9615 86 A 3.9842 7.8710 120.2105 55.2793 18.2050 179.5886 87 M 3.9023 8.0307 117.2601 58.3868 31.9788 179.1013 88 V 2.7734 7.3848 118.3714 65.9664 31.7059 177.8644 89 N 4.4094 8.1498 116.1148 56.0982 38.2143 177.4169 90 K 3.9933 8.1972 121.2465 59.5364 32.1825 178.3432 91 Y 4.2227 8.2418 119.7219 60.5915 38.6725 177.8348 92 A 4.2226 8.6754 122.2188 55.2181 18.5262 179.5322 93 R 3.7706 8.1254 117.2163 59.7759 29.9827 178.6681 94 E 3.9809 8.3523 117.1092 58.6060 29.3967 178.0430 95 N 4.5307 7.2797 114.2142 51.6861 39.0092 174.4882 96 E 3.6775 7.9023 118.4937 57.8787 27.4164 174.1092 97 H 4.9208 7.9284 114.5434 53.5053 31.5825 172.8200 98 P 4.6469 0.0000 0.0000 62.6661 31.2279 175.6747 99 L 4.1004 7.4843 120.3748 56.1994 42.2250 175.7711 100 L 4.9093 8.5766 128.0324 53.5030 44.3724 174.1221 101 C 5.4000 9.1590 126.8573 57.9442 33.7581 172.6239 102 T 5.0168 9.1395 115.5908 59.9182 72.5332 172.0733 103 L 5.5823 8.4020 120.0185 54.5610 44.0075 175.6231 104 E 4.9189 9.2337 118.1184 54.5517 34.4550 174.9662 105 K 3.1747 8.6016 122.1584 56.5372 32.7676 176.7117 106 A 4.1621 8.4119 125.6986 52.2039 17.9177 177.2268 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 6 D 8.35 4.31 0.00 2.50 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 7 W 7.86 4.31 0.00 3.47 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 8 L 7.37 3.78 0.00 0.74 1.41 0.89 0.94 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 9 D 7.59 4.30 0.00 2.54 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 10 F 8.31 4.61 0.00 3.23 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 11 D 8.02 5.02 0.00 2.83 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 12 Q 7.98 3.90 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 *21 A 7.84 4.40 1.31 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 0.00 0.00 22 L 7.81 4.80 0.00 1.60 1.56 0.93 0.80 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 23 K 8.38 4.69 0.00 1.70 1.67 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.42 7.81 24 P 0.00 4.47 0.00 2.06 2.00 0.00 3.70 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 2.04 2.08 0.00 25 P 0.00 4.40 0.00 2.25 2.12 0.00 3.78 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 2.03 2.00 0.00 26 S 8.42 4.72 0.00 3.86 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 27 M 8.42 4.89 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 28 Y 9.45 5.13 0.00 2.90 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 29 K 9.41 4.75 0.00 1.72 1.76 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.38 7.81 30 V 9.21 4.94 2.50 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 1.26 0.00 0.00 1.30 0.00 0.00 31 I 9.21 4.99 1.91 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 1.13 0.68 0.98 0.00 0.00 32 L 8.60 5.02 0.00 1.71 1.50 1.03 0.75 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 33 V 8.51 4.58 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 0.81 0.00 0.00 0.96 0.00 0.00 34 N 8.98 4.84 0.00 3.12 2.70 0.00 0.00 6.69 9.14 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 35 D 8.35 4.72 0.00 2.85 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 36 D 8.61 4.61 0.00 2.42 2.48 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 37 Y 8.08 4.41 0.00 3.06 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 38 T 9.01 3.88 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 1.36 0.00 0.00 39 P 0.00 4.41 0.00 2.22 1.99 0.00 3.29 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 40 M 8.90 4.00 0.00 2.08 2.06 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 2.66 2.62 0.00 41 E 8.22 4.01 0.00 2.12 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 2.45 2.42 0.00 42 F 8.28 4.20 0.00 3.20 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 43 V 7.90 3.64 2.25 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 1.06 0.00 0.00 1.09 0.00 0.00 44 I 7.69 3.75 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.94 0.00 0.00 45 D 8.18 4.29 0.00 2.89 2.69 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 46 V 7.83 3.74 2.25 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 1.23 0.00 0.00 0.86 0.00 0.00 47 L 8.24 4.47 0.00 2.00 1.92 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.37 4.35 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 49 K 8.18 3.71 0.00 1.40 1.37 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.83 7.81 50 F 7.99 4.44 0.00 2.83 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 0.00 0.00 0.00 51 F 7.54 4.75 0.00 3.41 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 52 S 7.84 3.99 0.00 3.96 3.89 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 53 Y 7.25 4.39 0.00 3.28 2.85 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 54 D 8.50 4.75 0.00 2.99 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 55 V 8.26 3.61 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 1.15 0.00 0.00 1.00 0.00 0.00 56 E 8.14 3.95 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 2.41 2.48 0.00 57 R 8.49 3.92 0.00 2.13 1.84 0.00 3.27 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 58 A 8.21 3.85 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 0.00 0.00 59 T 8.10 3.81 4.38 0.00 0.00 0.00 0.00 0.00 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 60 Q 8.04 3.98 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 61 L 8.02 3.93 0.00 1.69 1.53 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.34 4.04 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 63 L 8.23 3.98 0.00 1.96 1.88 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.19 4.09 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 65 V 7.86 3.51 2.25 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 1.01 0.00 0.00 0.99 0.00 0.00 66 H 7.88 4.25 0.00 3.03 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.93 4.42 0.00 3.14 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 68 Q 8.63 4.35 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.44 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 69 G 9.58 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 0.00 0.00 0.00 70 K 7.36 4.68 0.00 1.91 1.76 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.32 7.81 71 A 7.97 4.65 1.19 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 72 I 8.35 4.24 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 1.35 0.57 0.91 0.00 0.00 73 C 9.52 4.28 0.00 2.27 1.68 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 74 G 7.09 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 0.00 0.00 0.00 75 V 7.48 4.93 1.90 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 0.82 0.00 0.00 0.87 0.00 0.00 76 F 9.35 5.20 0.00 3.00 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 77 T 8.74 4.37 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 1.29 0.00 0.00 78 A 8.31 3.79 1.34 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 0.00 0.00 79 E 8.08 3.81 0.00 2.04 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 2.36 2.35 0.00 80 V 7.90 3.52 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 0.78 0.00 0.00 0.95 0.00 0.00 81 A 8.53 3.95 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.16 3.81 0.00 2.01 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 2.25 2.28 0.00 83 T 7.56 3.81 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 84 K 8.01 3.72 0.00 1.71 1.63 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.36 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.10 1.11 7.81 85 V 7.89 3.56 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 1.06 0.00 0.00 1.05 0.00 0.00 86 A 7.87 3.98 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 87 M 8.03 3.90 0.00 1.97 1.98 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 2.72 2.55 0.00 88 V 7.38 2.77 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 1.15 0.00 0.00 0.67 0.00 0.00 89 N 8.15 4.41 0.00 2.83 2.86 0.00 0.00 6.73 7.03 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 90 K 8.20 3.99 0.00 1.95 1.97 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.47 7.81 91 Y 8.24 4.22 0.00 3.33 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 4.22 1.59 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 0.00 0.00 93 R 8.13 3.77 0.00 1.97 2.14 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 94 E 8.35 3.98 0.00 1.99 1.97 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 2.35 2.45 0.00 95 N 7.28 4.53 0.00 2.27 2.30 0.00 0.00 7.05 8.65 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 96 E 7.90 3.68 0.00 1.87 1.86 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 2.14 2.12 0.00 97 H 7.93 4.92 0.00 2.78 2.98 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.65 0.00 2.21 2.10 0.00 3.83 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.01 0.00 99 L 7.48 4.10 0.00 1.88 1.92 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.58 4.91 0.00 1.83 1.53 1.00 0.83 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 0.00 101 C 9.16 5.40 0.00 3.07 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 0.00 102 T 9.14 5.02 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 1.25 0.00 0.00 103 L 8.40 5.58 0.00 1.90 1.76 0.98 0.36 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 0.00 104 E 9.23 4.92 0.00 1.96 1.82 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 2.27 2.35 0.00 105 K 8.60 3.17 0.00 1.41 1.50 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.72 1.07 7.81 106 A 8.41 4.16 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 * Residues marked with a * may have inaccurate shift predictions.