NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3059 8.1127 120.8669 56.3941 31.9092 177.3103 8 F 4.0017 9.0306 118.3209 60.9798 40.3224 174.1565 9 L 3.6942 8.2742 118.3503 57.9467 41.6362 178.2896 10 E 3.8700 7.4607 117.9369 59.8022 29.4653 178.7164 11 E 4.3146 7.7699 117.2039 57.6061 30.0004 176.8082 12 L 4.5168 7.9096 118.3255 51.3670 43.7304 175.2936 13 P 4.1870 0.0000 0.0000 65.5850 31.3185 178.1454 14 E 3.9369 8.0916 116.4692 59.8235 29.5458 179.8659 15 V 3.7111 7.9951 112.7732 63.8042 31.6331 178.4193 16 A 4.1676 7.9832 120.5995 55.0091 18.1927 179.3865 17 E 3.9284 8.3334 118.1740 59.3258 29.3439 179.0682 18 S 4.1644 8.3470 114.6062 61.5734 62.9064 176.1701 19 F 4.3486 8.8623 124.9622 60.7915 39.0826 176.8328 20 K 3.7408 8.3644 119.2046 59.6511 31.8725 178.5130 21 N 4.2934 8.2365 116.6657 56.2628 38.6108 177.1928 22 F 4.1433 8.5841 122.5371 61.1637 39.4187 177.2213 23 R 3.3208 7.8669 118.6738 59.2222 29.8590 178.1871 24 E 3.8398 8.1995 118.9998 58.8380 29.3199 178.6214 25 A 3.8718 7.7759 120.4502 55.3760 18.6090 179.9034 26 V 3.5701 6.9804 108.7864 64.0986 31.5624 178.5228 27 R 4.0346 7.5417 118.1445 58.5536 29.9304 177.4116 28 S 4.6506 8.0793 113.5087 57.4586 64.2413 173.7767 29 E 4.1188 7.7182 122.4994 56.0656 29.9998 176.6309 30 G 3.9388 8.4267 112.8644 45.8362 0.0000 174.8429 31 K 4.1395 8.9487 120.0760 58.0129 32.3787 177.2931 32 L 4.8564 7.5838 117.5298 52.3274 44.4889 176.7825 33 T 4.1197 8.3021 113.0809 61.3459 70.7592 175.3924 34 E 3.8784 8.5372 121.1413 59.4312 29.7714 178.5112 35 R 3.9012 7.9604 118.2567 59.5982 30.1307 178.1996 36 E 4.0181 8.1467 118.0316 59.2259 29.4834 179.4394 37 K 4.0159 7.9187 118.2636 59.2870 32.1936 179.5135 38 L 3.9908 8.0343 119.4318 57.6588 41.5088 179.2663 39 L 4.0144 7.8838 120.1023 58.0510 41.8765 179.1109 40 I 3.8126 7.7494 120.0427 64.2124 37.0888 178.4158 41 S 4.0106 8.0662 116.1507 61.4149 62.5638 177.0228 42 V 3.5433 7.7149 120.1939 65.8820 31.3304 177.8405 43 A 3.9933 7.7289 120.1745 55.5984 18.2523 179.4341 44 C 4.1607 8.3567 115.3684 62.9680 28.1339 176.5165 45 S 4.1550 8.0531 116.7767 61.6872 62.4469 177.0201 46 V 3.5953 8.0353 120.6938 65.9163 31.0723 177.9703 47 A 4.0884 8.3156 120.2893 54.2786 18.2557 178.9196 48 V 4.0602 7.7011 114.9281 60.4982 32.5622 176.0136 49 R 3.6528 7.6805 117.0229 58.0254 28.0294 176.5440 50 C 4.7726 7.9517 118.2934 54.7559 45.2564 173.5282 51 D 4.2748 8.7149 128.3555 57.3678 40.5027 178.5855 52 A 4.0169 7.9234 120.7782 55.2673 18.4616 180.3026 53 C 4.2454 8.0842 114.5533 60.4544 41.5775 176.1900 54 T 3.8576 8.0786 117.4242 66.5345 68.0162 176.5775 55 R 3.8513 8.0457 120.4568 59.4291 30.1677 178.4491 56 R 3.8311 7.7081 117.8257 59.9965 30.1273 178.2928 57 H 4.3496 8.2780 115.5297 58.4087 28.5719 177.8209 58 A 3.9934 8.1920 123.2496 55.1462 18.3212 179.5618 59 E 4.0334 8.2582 116.1021 59.4280 29.4535 179.1664 60 E 3.9869 7.9698 118.9180 59.0851 29.8082 178.6503 61 A 4.2000 7.9712 120.9268 54.7931 18.0784 179.6883 62 L 4.3326 8.6560 117.6751 57.2664 41.8655 178.3593 63 E 4.4365 8.0914 114.2072 56.3552 29.4367 176.4008 64 A 4.6185 8.0345 120.1241 52.1043 19.6503 176.8998 65 G 4.1059 7.9748 108.2410 46.7519 0.0000 175.4204 66 I 3.8718 7.6108 120.6116 61.7974 37.8208 175.3591 67 T 4.4280 8.6261 115.1530 60.4622 70.5018 175.4698 68 E 4.0403 9.0583 123.1977 60.0402 29.5737 180.0913 69 G 3.6589 8.0988 104.7640 47.9499 0.0000 175.3935 70 E 4.0669 8.2227 120.7518 59.1058 29.4317 179.3604 71 L 4.0660 7.8217 118.4935 57.4470 41.7590 179.1065 72 A 4.0670 8.1127 121.1249 55.0103 18.2795 179.3145 73 E 3.9451 8.1769 117.3407 59.1695 29.6993 178.9032 74 A 3.9529 7.9206 120.5036 55.0425 18.4918 179.4109 75 A 3.9198 8.4769 119.5168 55.2054 18.4561 179.4770 76 A 3.9422 8.3370 119.7086 55.4887 18.3417 180.0128 77 V 3.5129 7.7983 116.2644 66.1341 31.6249 177.9965 78 A 3.9593 7.8968 119.8136 55.2525 18.2999 179.5197 79 A 3.9901 8.0699 119.2289 55.0258 18.4013 179.6798 80 L 3.9398 8.0013 119.1271 58.3818 42.1907 179.3062 81 I 3.8435 8.0872 120.0702 64.2927 36.5691 178.6423 82 R 3.9981 8.1723 118.9012 59.1013 29.6347 178.9565 83 A 4.1957 7.8440 119.6918 54.8256 18.5364 179.6221 84 G 3.7130 8.4245 104.0132 47.9682 0.0000 175.6753 85 S 4.3196 8.6161 117.2318 60.8218 62.9099 176.5882 86 A 4.1533 7.6338 124.7900 51.8845 17.7197 178.8975 *88 N 4.6492 8.3477 120.0230 55.4822 40.9779 176.4441 89 T 3.9002 7.7215 114.6878 66.4753 68.5657 176.5286 90 A 4.0153 8.3651 122.9791 54.7150 18.1969 179.4655 91 S 4.5076 7.9841 112.4478 60.7058 62.9294 175.5318 92 A 4.4042 7.8447 123.2032 52.9393 18.2217 178.4450 93 I 3.7635 7.3266 111.4525 61.5959 38.2454 176.1395 94 F 4.6845 6.7977 119.3810 56.1186 40.2748 175.9874 95 R 4.1541 8.5948 120.6539 56.7410 29.8748 176.8125 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 7 R 8.11 4.31 0.00 1.90 1.83 0.00 3.19 0.00 0.00 3.37 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 8 F 9.03 4.00 0.00 3.21 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 9 L 8.27 3.69 0.00 1.75 1.73 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.46 3.87 0.00 2.07 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 0.00 2.31 2.37 0.00 11 E 7.77 4.31 0.00 1.88 1.87 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 2.46 2.45 0.00 12 L 7.91 4.52 0.00 1.44 1.45 0.72 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.19 0.00 2.14 2.09 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 14 E 8.09 3.94 0.00 1.96 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 2.39 2.35 0.00 15 V 8.00 3.71 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 0.87 0.00 0.00 0.88 0.00 0.00 16 A 7.98 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.93 0.00 2.23 2.14 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 2.32 2.38 0.00 18 S 8.35 4.16 0.00 4.13 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 0.00 19 F 8.86 4.35 0.00 3.22 3.41 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 0.00 20 K 8.36 3.74 0.00 2.17 1.96 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 21 N 8.24 4.29 0.00 3.05 2.87 0.00 0.00 6.68 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 22 F 8.58 4.14 0.00 2.99 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 23 R 7.87 3.32 0.00 1.23 1.73 0.00 3.11 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 24 E 8.20 3.84 0.00 2.15 1.85 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 2.26 2.31 0.00 25 A 7.78 3.87 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 26 V 6.98 3.57 1.87 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 0.17 0.00 0.00 0.60 0.00 0.00 27 R 7.54 4.03 0.00 1.94 2.12 0.00 3.18 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 28 S 8.08 4.65 0.00 3.83 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 29 E 7.72 4.12 0.00 2.00 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 0.00 2.26 2.22 0.00 30 G 8.43 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 0.00 0.00 0.00 31 K 8.95 4.14 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.79 7.81 32 L 7.58 4.86 0.00 1.57 1.52 0.91 0.91 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 33 T 8.30 4.12 4.23 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 1.20 0.00 0.00 34 E 8.54 3.88 0.00 2.08 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 2.37 2.41 0.00 35 R 7.96 3.90 0.00 1.91 1.91 0.00 3.22 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 36 E 8.15 4.02 0.00 2.08 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 2.32 2.34 0.00 37 K 7.92 4.02 0.00 1.89 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.28 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.61 7.81 38 L 8.03 3.99 0.00 1.93 1.70 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.88 4.01 0.00 2.09 1.65 0.92 0.84 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 40 I 7.75 3.81 2.01 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 1.51 0.75 0.89 0.00 0.00 41 S 8.07 4.01 0.00 3.95 3.51 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 0.00 0.00 0.00 0.00 42 V 7.71 3.54 2.22 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 1.02 0.00 0.00 1.02 0.00 0.00 43 A 7.73 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.36 4.16 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.15 0.00 4.14 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 46 V 8.04 3.60 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 1.01 0.00 0.00 1.01 0.00 0.00 47 A 8.32 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 48 V 7.70 4.06 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 0.90 0.00 0.00 0.94 0.00 0.00 49 R 7.68 3.65 0.00 1.99 2.02 0.00 3.12 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 50 C 7.95 4.77 0.00 2.95 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 51 D 8.71 4.27 0.00 2.80 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 52 A 7.92 4.02 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 53 C 8.08 4.25 0.00 3.14 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 54 T 8.08 3.86 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 1.22 0.00 0.00 55 R 8.05 3.85 0.00 2.13 1.91 0.00 3.10 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 56 R 7.71 3.83 0.00 1.93 1.94 0.00 3.40 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 57 H 8.28 4.35 0.00 3.24 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.19 3.99 1.42 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 0.00 0.00 0.00 59 E 8.26 4.03 0.00 2.23 2.22 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 2.58 2.38 0.00 60 E 7.97 3.99 0.00 2.20 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 0.00 2.35 2.53 0.00 61 A 7.97 4.20 1.41 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 0.00 0.00 0.00 62 L 8.66 4.33 0.00 1.69 1.73 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.09 4.44 0.00 2.10 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 2.50 2.25 0.00 64 A 8.03 4.62 1.33 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 0.00 0.00 65 G 7.97 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 0.00 0.00 0.00 66 I 7.61 3.87 1.94 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 1.47 0.75 0.97 0.00 0.00 67 T 8.63 4.43 4.24 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 1.26 0.00 0.00 68 E 9.06 4.04 0.00 2.03 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 0.00 2.41 2.41 0.00 69 G 8.10 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.22 4.07 0.00 2.20 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 2.33 2.35 0.00 71 L 7.82 4.07 0.00 1.86 1.72 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.11 4.07 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 73 E 8.18 3.95 0.00 2.13 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 2.30 2.37 0.00 74 A 7.92 3.95 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 75 A 8.48 3.92 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 76 A 8.34 3.94 1.41 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 0.00 0.00 0.00 77 V 7.80 3.51 2.22 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 1.08 0.00 0.00 1.01 0.00 0.00 78 A 7.90 3.96 1.38 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 0.00 0.00 0.00 79 A 8.07 3.99 1.41 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 0.00 0.00 0.00 80 L 8.00 3.94 0.00 1.78 1.88 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.09 3.84 2.00 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 1.82 0.63 0.92 0.00 0.00 82 R 8.17 4.00 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 83 A 7.84 4.20 1.35 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 84 G 8.42 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.62 4.32 0.00 4.01 4.15 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 86 A 7.63 4.15 1.38 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 0.00 0.00 0.00 *88 N 8.35 4.65 0.00 2.85 3.07 0.00 0.00 7.08 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 89 T 7.72 3.90 4.36 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 0.00 0.00 0.00 1.21 0.00 0.00 90 A 8.37 4.02 1.35 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 91 S 7.98 4.51 0.00 4.16 4.23 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 92 A 7.84 4.40 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 93 I 7.33 3.76 1.54 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.36 0.82 0.00 0.00 94 F 6.80 4.68 0.00 3.04 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 95 R 8.59 4.15 0.00 1.86 1.88 0.00 3.27 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.