NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -15 H 4.6105 8.4449 116.3154 56.1426 29.7368 172.4758 -14 H 4.8788 8.5751 113.5686 54.0462 28.7988 173.3983 -13 H 5.0532 8.6331 115.7341 55.1390 29.7421 173.3164 -12 H 4.1059 8.3909 117.3888 57.3705 29.0868 175.2914 *6 F 4.5323 8.6059 126.0840 57.7539 40.9849 174.4446 7 Y 4.6157 7.8170 118.9049 56.0599 41.5696 174.2352 8 T 4.2169 7.7450 123.8363 62.3322 68.2682 173.7159 9 L 4.5744 8.3194 128.9323 53.7562 43.2946 176.4853 10 N 4.6432 8.6470 124.6684 52.7404 38.7776 175.2540 11 I 3.8648 8.1719 122.6608 63.0713 38.0312 177.7345 12 A 3.8764 8.0065 122.7874 55.2817 18.2707 179.2662 13 E 3.9449 8.3501 116.7565 59.3721 29.4120 179.5693 14 I 3.7078 7.6419 119.5416 64.3663 37.2059 178.2431 15 A 3.9507 8.1978 121.8502 55.0042 17.8805 179.1801 16 E 3.7781 7.7901 116.7659 59.5529 29.9484 179.1045 17 R 4.1199 7.9858 117.9305 59.3297 30.1761 179.0461 18 I 4.0196 8.2586 120.0121 64.5448 36.9620 178.6629 19 G 3.8798 8.8125 105.6285 47.4212 0.0000 174.3447 20 N 4.9422 7.7434 115.3742 52.0243 39.2911 174.1377 21 D 4.8897 7.8170 121.8387 52.2521 42.5979 176.0642 22 D 4.9600 8.9002 128.8761 57.1072 40.7809 178.4930 23 C 4.0732 8.1936 118.1496 62.4546 31.7887 175.0135 24 A 4.0395 8.4502 122.4327 55.5170 17.9951 178.9759 25 Y 4.0662 8.2698 117.7931 61.1143 38.9088 178.3750 26 Q 3.8470 8.0395 118.9112 58.6259 28.5401 178.8518 27 V 3.4771 7.8793 118.9752 65.7639 31.7490 177.4879 28 L 4.4458 8.2283 120.0418 58.7995 42.0693 178.8322 29 M 4.0097 7.9176 117.3194 57.2425 31.5920 178.3124 30 A 3.8823 7.6335 120.8541 54.8818 18.7689 178.2412 31 F 4.3232 8.0281 114.2698 58.3198 39.4227 174.8454 32 I 4.7996 7.5396 123.0766 59.3969 38.5353 175.6390 33 N 4.7732 8.7453 124.1379 51.3753 39.0791 175.5560 34 E 4.0191 8.5574 115.1378 59.1705 29.7153 177.3629 35 N 4.4829 8.2548 114.8192 53.4399 38.9581 175.8214 36 G 3.9322 8.2430 106.8887 45.4016 0.0000 173.4403 37 E 4.4060 8.6890 119.5398 54.5634 30.9455 175.3943 38 A 4.6873 8.4661 125.0806 52.0147 18.8756 177.0396 39 Q 4.9414 9.0136 122.1597 54.6440 31.3505 175.1834 40 M 4.9043 8.5431 117.9915 54.9684 32.7275 175.3431 41 L 4.9119 9.3110 121.0178 53.3653 47.0363 175.2473 42 N 5.1696 8.6067 119.0234 51.6860 39.6684 176.0468 43 K 3.5891 8.6838 118.3383 59.8608 31.8245 179.5356 44 T 4.0018 7.8384 115.0895 66.5447 68.1955 176.1430 45 A 3.9024 8.7062 121.6874 55.1642 18.6890 179.3512 46 V 3.4519 7.5568 116.3582 66.3032 31.3650 178.1137 47 A 4.0675 8.3322 120.5822 55.1480 17.9491 179.1795 48 E 3.9659 8.0647 117.3974 58.5594 29.7138 177.2454 49 M 4.4443 7.4636 113.8112 54.5897 31.6619 175.4769 50 I 4.4967 7.2943 120.0189 60.1127 40.6673 176.5929 51 Q 4.3829 8.5273 127.3215 54.6853 27.4862 174.4217 52 L 4.8561 7.0968 117.0941 51.5875 46.7951 177.6089 53 S 4.2469 8.4464 114.9377 58.6528 64.6127 175.6079 54 K 3.8906 8.4280 123.0970 59.2834 31.9317 177.6289 55 P 4.1429 0.0000 0.0000 65.9734 31.3367 178.6637 56 T 3.8518 7.6307 114.2300 66.6488 68.3253 176.9204 57 V 3.5607 7.7783 119.9790 66.0166 31.5283 177.8714 58 F 3.9635 9.1068 117.6972 60.7200 38.7358 177.5852 59 A 4.0123 8.2496 120.1739 55.3951 18.0510 179.8932 60 T 3.6165 7.7789 113.9833 66.5090 68.4988 176.9826 61 V 3.3342 7.7843 120.4735 66.1151 31.5273 177.5573 62 N 4.3040 8.2384 116.7979 56.7684 38.6426 176.9933 63 S 4.1412 8.2834 116.7073 61.7032 62.8813 176.6712 64 F 4.1938 8.5596 120.7203 60.4734 38.5765 177.1767 65 Y 4.4978 8.0854 120.5953 60.5819 38.4896 177.6659 66 C 3.7420 7.8418 115.8976 62.8064 28.3750 175.7520 67 A 3.9148 7.7460 120.1665 52.6067 17.8344 178.0488 68 G 3.7181 7.4644 105.1521 46.2633 0.0000 174.3098 69 Y 4.7191 8.1307 120.4005 59.0068 39.2957 175.6956 70 I 5.0808 7.6749 111.1542 59.1755 41.6176 174.3493 71 D 5.2309 9.3473 123.6574 53.0111 43.6637 174.7295 72 E 4.6055 8.9220 121.5330 54.6771 31.8830 175.0822 73 T 4.4844 8.4258 123.6193 61.6271 71.2823 173.5462 74 R 4.4628 8.4786 126.3385 55.8086 31.3281 176.8312 75 V 4.1795 8.6657 123.2384 61.6822 34.4988 175.5674 76 G 3.6921 8.2249 118.7476 47.3526 0.0000 174.0337 77 R 4.3151 8.7205 123.2559 55.9892 30.4643 176.0446 78 S 4.7082 7.9955 115.3771 57.1240 64.5341 172.9002 79 K 4.8283 8.2241 120.7154 54.6878 34.9150 175.6018 80 I 4.3816 8.5864 125.9183 59.8140 39.4233 174.2577 81 Y 5.3912 9.4639 125.4195 56.6328 40.8188 174.9440 82 T 4.9856 8.5519 111.6871 59.6144 72.7031 173.2410 83 L 4.3672 8.4982 123.8088 55.3358 42.6540 177.9782 84 S 4.5803 8.6171 118.5218 57.2489 66.2549 174.9999 85 D 4.3378 8.4533 120.3363 57.4473 40.4680 178.6180 86 L 4.0042 7.9747 120.4318 58.1865 42.1731 179.0210 87 G 3.5040 8.0465 105.6218 47.8083 0.0000 175.7939 88 V 3.6058 7.8984 120.5321 65.8363 31.3396 178.0598 89 E 3.9599 7.9381 117.3456 59.2592 29.5310 179.1004 90 I 3.7888 7.7605 119.9577 64.3149 37.1665 178.4087 91 V 3.7010 7.7460 119.0500 66.3617 31.2209 177.9354 92 E 4.0947 8.5366 118.0100 59.3704 29.0286 178.7531 93 C 4.3127 7.8759 115.4678 61.5223 28.3323 174.7794 94 F 4.5257 8.3154 118.8476 56.4115 38.7085 175.4505 95 K 4.0889 7.4890 119.6918 57.7272 32.0085 176.6079 96 Q 3.5145 8.7457 122.6024 56.6902 26.3979 172.9835 97 K 4.4405 7.6012 117.8598 54.1037 33.7718 175.7556 98 A 4.1634 8.5219 129.2603 52.4202 18.9590 176.4146 99 M 4.6464 8.5107 121.5814 53.3121 34.8713 174.9875 100 E 4.4367 8.6247 122.8393 55.4579 31.8458 176.1525 101 M 3.0862 8.8876 124.2462 60.0863 29.9603 177.6895 102 R 3.8626 6.7080 121.5275 55.9348 29.5755 177.4996 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 -15 H 8.44 4.61 0.00 3.11 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -14 H 8.58 4.88 0.00 3.27 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -13 H 8.63 5.05 0.00 3.18 3.36 0.00 5.73 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -12 H 8.39 4.11 0.00 3.14 3.33 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *6 F 8.61 4.53 0.00 3.12 3.14 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 0.00 0.00 0.00 7 Y 7.82 4.62 0.00 3.01 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 8 T 7.75 4.22 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 1.15 0.00 0.00 9 L 8.32 4.57 0.00 1.81 1.67 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.65 4.64 0.00 2.82 2.86 0.00 0.00 6.98 7.82 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 11 I 8.17 3.86 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.90 0.00 0.00 12 A 8.01 3.88 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 13 E 8.35 3.94 0.00 2.23 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 2.32 2.47 0.00 14 I 7.64 3.71 1.99 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 1.53 0.85 0.88 0.00 0.00 15 A 8.20 3.95 0.88 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.79 3.78 0.00 2.02 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 0.00 2.30 2.38 0.00 17 R 7.99 4.12 0.00 2.11 2.03 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 18 I 8.26 4.02 2.30 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 1.71 1.02 1.29 0.00 0.00 19 G 8.81 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.74 4.94 0.00 2.84 2.88 0.00 0.00 6.77 9.26 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 21 D 7.82 4.89 0.00 2.74 2.65 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 22 D 8.90 4.96 0.00 2.76 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 23 C 8.19 4.07 0.00 3.00 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 24 A 8.45 4.04 1.62 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 25 Y 8.27 4.07 0.00 3.41 3.22 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 0.00 0.00 0.00 0.00 26 Q 8.04 3.85 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 27 V 7.88 3.48 1.79 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 0.65 0.00 0.00 0.81 0.00 0.00 28 L 8.23 4.45 0.00 2.23 1.79 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.92 4.01 0.00 1.77 1.64 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 30 A 7.63 3.88 1.09 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 0.00 0.00 31 F 8.03 4.32 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 4.80 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.92 0.00 0.00 33 N 8.75 4.77 0.00 2.93 3.14 0.00 0.00 6.31 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 34 E 8.56 4.02 0.00 2.09 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 0.00 2.27 2.33 0.00 35 N 8.25 4.48 0.00 2.88 2.90 0.00 0.00 7.04 7.65 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 36 G 8.24 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 37 E 8.69 4.41 0.00 1.98 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 0.00 2.28 2.40 0.00 38 A 8.47 4.69 1.28 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 0.00 0.00 39 Q 9.01 4.94 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 40 M 8.54 4.90 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 41 L 9.31 4.91 0.00 1.43 1.41 0.35 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.61 5.17 0.00 2.84 3.02 0.00 0.00 6.06 6.63 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 43 K 8.68 3.59 0.00 1.00 0.74 0.00 1.14 0.00 0.00 1.13 0.00 0.00 2.71 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.06 1.40 7.81 44 T 7.84 4.00 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 A 8.71 3.90 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 46 V 7.56 3.45 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 0.84 0.00 0.00 0.59 0.00 0.00 47 A 8.33 4.07 1.57 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 0.00 0.00 48 E 8.06 3.97 0.00 2.17 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 0.00 2.31 2.31 0.00 49 M 7.46 4.44 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 50 I 7.29 4.50 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.98 0.00 0.00 51 Q 8.53 4.38 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 52 L 7.10 4.86 0.00 1.56 1.50 0.93 0.98 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 53 S 8.45 4.25 0.00 4.00 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 54 K 8.43 3.89 0.00 1.56 1.27 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.50 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.47 7.81 55 P 0.00 4.14 0.00 2.10 2.05 0.00 3.45 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 56 T 7.63 3.85 4.39 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 1.21 0.00 0.00 57 V 7.78 3.56 2.23 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 1.14 0.00 0.00 0.97 0.00 0.00 58 F 9.11 3.96 0.00 3.06 3.10 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 59 A 8.25 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.62 4.13 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 0.62 0.00 0.00 61 V 7.78 3.33 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 0.37 0.00 0.00 0.78 0.00 0.00 62 N 8.24 4.30 0.00 2.94 2.82 0.00 0.00 7.31 8.40 0.00 0.00 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 S 8.28 4.14 0.00 4.10 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 64 F 8.56 4.19 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.09 4.50 0.00 3.13 3.18 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 0.00 66 C 7.84 3.74 0.00 3.12 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 67 A 7.75 3.91 0.45 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 68 G 7.46 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 69 Y 8.13 4.72 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 5.08 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.36 0.00 0.00 71 D 9.35 5.23 0.00 2.61 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 72 E 8.92 4.61 0.00 1.41 1.65 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 1.86 1.60 0.00 73 T 8.43 4.48 4.14 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 0.00 0.00 1.16 0.00 0.00 74 R 8.48 4.46 0.00 1.64 1.80 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 75 V 8.67 4.18 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 0.95 0.00 0.00 0.89 0.00 0.00 76 G 8.22 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 0.00 0.00 0.00 77 R 8.72 4.32 0.00 1.80 1.97 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 78 S 8.00 4.71 0.00 3.97 3.73 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 79 K 8.22 4.83 0.00 1.40 1.03 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 1.32 7.81 80 I 8.59 4.38 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.92 0.00 0.00 81 Y 9.46 5.39 0.00 3.27 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 82 T 8.55 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 1.27 0.00 0.00 83 L 8.50 4.37 0.00 1.52 1.60 0.97 0.83 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 84 S 8.62 4.58 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.34 0.00 2.71 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 86 L 7.97 4.00 0.00 1.78 1.81 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.05 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 88 V 7.90 3.61 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 1.10 0.00 0.00 0.93 0.00 0.00 89 E 7.94 3.96 0.00 2.10 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 2.34 2.56 0.00 90 I 7.76 3.79 1.74 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.80 0.00 0.00 91 V 7.75 3.70 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 1.04 0.00 0.00 0.93 0.00 0.00 92 E 8.54 4.09 0.00 2.21 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 2.57 2.51 0.00 93 C 7.88 4.31 0.00 3.03 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 94 F 8.32 4.53 0.00 3.30 3.20 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 0.00 0.00 0.00 95 K 7.49 4.09 0.00 1.92 1.80 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.50 7.81 96 Q 8.75 3.51 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 97 K 7.60 4.44 0.00 1.56 1.79 0.00 1.46 0.00 0.00 1.03 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.27 7.81 98 A 8.52 4.16 1.24 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 0.00 0.00 99 M 8.51 4.65 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 100 E 8.62 4.44 0.00 1.89 1.84 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 2.18 2.22 0.00 101 M 8.89 3.09 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 102 R 6.71 3.86 0.00 1.79 1.81 0.00 3.28 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.25 0.00 * Residues marked with a * may have inaccurate shift predictions.