NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4164 0.0000 0.0000 62.3649 32.8132 175.9619 6 T 4.1086 8.2709 118.8957 62.8264 69.1538 172.8804 7 I 3.9796 9.1388 128.6033 61.2587 38.5645 175.4278 8 H 4.6001 8.4963 121.8012 56.1471 30.0502 174.8559 9 D 4.3320 8.0918 119.5874 54.7542 41.3320 175.9367 10 H 4.0849 9.1470 126.6604 59.5393 30.0652 176.4294 11 R 3.9705 8.0499 116.3347 59.4011 30.4759 177.5686 12 Y 4.1074 8.5743 118.9137 60.8559 39.0215 179.5508 13 R 3.9298 8.2102 117.5038 56.5180 29.9382 178.4581 *15 L 4.0998 8.1091 121.2726 55.1179 43.8002 178.9349 16 V 3.4828 7.5162 117.6307 65.9819 31.3083 177.9547 17 Q 3.9897 8.2823 117.9243 58.8346 28.5060 178.5768 18 L 3.9374 7.7835 120.8342 58.1863 42.2074 178.8956 19 L 3.9616 8.0251 118.9442 57.9354 41.4943 179.6656 20 T 3.8178 8.1680 116.1988 66.4238 68.3741 176.6197 21 K 3.9400 8.0814 121.5776 59.3688 32.2004 178.8569 22 L 3.9372 7.9813 119.3871 57.6693 41.5655 179.2324 23 R 3.8482 8.0387 118.6425 59.4790 29.9769 178.6360 24 K 3.9158 8.0155 117.9600 59.5526 31.8767 178.8527 25 E 4.0006 8.0579 117.9095 59.2025 29.5567 178.0042 26 A 4.1904 7.8445 117.2304 51.6766 18.5009 177.0893 27 S 3.7188 8.1565 113.1404 59.7372 61.0553 172.0321 28 L 4.7484 7.7027 119.9422 53.1227 42.9872 177.9329 29 S 4.4932 7.9388 119.2844 57.7795 65.3800 175.3995 30 Q 4.0181 8.4688 120.5025 59.0908 28.1437 179.2289 31 S 4.1234 7.9276 115.0388 61.5137 62.9838 175.8240 32 E 4.1511 8.4412 122.1775 59.2349 29.4129 178.5628 33 L 4.1294 8.2337 120.2364 58.1424 42.1194 178.5507 34 A 4.0520 8.1236 120.7673 55.3947 17.7296 179.4602 35 I 3.5298 7.4960 117.8020 64.7708 36.9903 178.4827 36 F 4.3046 8.0195 115.8767 59.0981 38.8775 176.6826 37 L 4.8389 7.7771 116.4666 53.3607 42.2992 175.9857 38 G 3.8456 7.8389 105.7653 46.8265 0.0000 173.2690 39 L 4.8549 7.9934 118.1664 52.1039 46.0420 176.6221 40 S 4.7738 8.5042 114.4816 56.8525 66.2473 174.8155 41 Q 3.9492 8.4924 122.9171 59.5689 28.7174 178.5358 42 S 4.0747 8.0533 113.5019 61.4903 62.4529 175.6774 43 D 4.3824 7.9934 121.4797 57.5076 40.4959 178.9177 44 I 3.7167 7.7060 120.0815 64.3474 37.1012 178.3506 45 S 4.0394 8.2215 114.0598 61.4519 62.2125 176.4783 46 K 4.0986 8.0649 122.4142 58.7909 31.7584 179.4996 47 I 4.2231 7.6575 121.4799 64.0687 36.9001 178.3118 48 E 3.8766 8.3169 117.9863 57.9229 29.0870 178.3652 49 S 4.1965 7.4291 113.0882 56.8513 63.5075 174.0641 50 F 3.8330 7.3572 119.5705 59.4140 36.6760 176.6635 51 E 4.5063 8.7917 120.9085 56.6056 30.9526 176.8561 52 R 4.7308 7.5267 113.9371 54.1271 32.6415 174.2958 53 R 4.4898 8.3819 118.7968 55.4546 31.1240 175.8990 54 L 4.4153 8.9232 125.0938 54.4149 42.8246 177.0286 55 D 4.7948 9.3552 126.9277 52.2151 42.3395 177.1585 56 A 4.0557 8.5106 120.8484 55.2710 18.2221 179.6534 57 L 4.1641 8.0711 118.2337 58.5345 42.3087 178.7409 58 E 4.2975 9.1417 120.2237 58.6057 29.3133 179.0902 59 L 3.8763 7.9930 120.3727 58.3513 42.0812 179.1987 60 F 4.1500 7.7406 116.7475 60.5646 38.3387 177.5353 61 E 4.0499 8.5279 118.3292 59.2167 29.2196 179.2371 62 L 3.9681 8.2776 120.5930 58.2937 42.2607 179.0742 63 L 3.9661 7.9113 118.9440 57.5349 41.4585 179.1539 64 E 3.9329 8.4579 119.7753 59.3691 29.5726 179.3827 65 V 3.4552 7.5685 118.7040 64.4675 31.4471 178.4914 66 V 3.4298 7.8853 118.7559 65.7294 31.3321 177.7763 67 A 3.9774 8.3803 120.9172 55.2502 18.0701 179.6311 68 S 3.9918 8.0289 111.5593 61.6549 62.2907 176.6666 69 R 4.0142 8.0047 119.8160 58.4928 29.8937 178.0507 70 L 4.4668 7.9155 116.1552 53.5285 42.2744 176.6205 71 G 3.8682 7.5979 105.5300 46.6854 0.0000 173.5833 72 L 4.7432 7.7824 118.7960 51.6499 44.1443 175.7197 73 P 4.4708 0.0000 0.0000 62.8280 33.4160 177.5157 74 M 4.0813 8.6377 120.7828 58.6461 32.0337 178.6413 75 D 4.4912 8.1375 118.7847 56.6610 39.3229 178.7418 76 I 3.7645 7.6606 120.6205 63.8343 37.2157 177.8281 77 L 3.9351 7.8472 121.1372 58.1468 41.8553 179.0193 78 L 3.9615 8.4438 119.1000 57.7008 41.6358 179.4454 79 K 4.0242 8.1065 119.4061 59.7072 32.2634 178.4818 80 D 4.3878 8.4270 119.4325 57.6701 40.5108 178.9457 81 T 3.8131 7.8675 115.1020 66.7231 68.8921 175.5961 82 Y 4.3189 8.2092 121.5058 60.9966 38.6652 178.1600 83 E 3.7371 8.4897 117.7411 58.4325 29.5620 178.9978 84 S 4.3181 7.5415 113.6478 59.6108 63.1845 174.4312 85 I 3.8282 6.8587 123.9161 60.4921 36.9969 176.0464 86 S 4.1577 8.5179 122.4348 58.8394 63.0761 174.6571 87 K 4.2449 8.3565 123.2015 57.2560 32.7284 176.7495 88 S 4.2250 7.6780 118.0584 58.8979 62.1822 174.8448 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 5 P 0.00 4.42 0.00 2.06 2.06 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 6 T 8.27 4.11 4.21 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 1.15 0.00 0.00 7 I 9.14 3.98 2.00 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 1.20 0.58 0.66 0.00 0.00 8 H 8.50 4.60 0.00 3.13 3.31 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.09 4.33 0.00 2.71 2.63 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 10 H 9.15 4.08 0.00 3.09 3.34 0.00 5.99 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.05 3.97 0.00 1.87 1.98 0.00 3.31 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 12 Y 8.57 4.11 0.00 3.10 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 13 R 8.21 3.93 0.00 1.80 1.39 0.00 2.92 0.00 0.00 2.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.63 0.00 *15 L 8.11 4.10 0.00 1.64 1.68 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.52 3.48 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 1.00 0.00 0.00 0.36 0.00 0.00 17 Q 8.28 3.99 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 18 L 7.78 3.94 0.00 1.71 1.77 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.03 3.96 0.00 1.82 1.65 0.84 0.54 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 20 T 8.17 3.82 4.37 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 1.18 0.00 0.00 21 K 8.08 3.94 0.00 2.08 1.85 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 22 L 7.98 3.94 0.00 1.88 1.66 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.04 3.85 0.00 1.84 2.09 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 24 K 8.02 3.92 0.00 1.98 1.82 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 25 E 8.06 4.00 0.00 2.01 2.11 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 2.31 2.36 0.00 26 A 7.84 4.19 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 27 S 8.16 3.72 0.00 3.97 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 28 L 7.70 4.75 0.00 1.76 1.59 0.78 0.79 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 29 S 7.94 4.49 0.00 4.19 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 30 Q 8.47 4.02 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 31 S 7.93 4.12 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 32 E 8.44 4.15 0.00 2.10 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 0.00 2.64 2.48 0.00 33 L 8.23 4.13 0.00 1.84 1.83 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.12 4.05 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 35 I 7.50 3.53 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.22 0.40 0.00 0.00 36 F 8.02 4.30 0.00 3.15 3.15 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 37 L 7.78 4.84 0.00 1.64 1.73 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.84 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 0.00 0.00 0.00 39 L 7.99 4.85 0.00 1.61 1.67 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.50 4.77 0.00 4.05 3.97 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 41 Q 8.49 3.95 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 42 S 8.05 4.07 0.00 3.92 3.84 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 0.00 0.00 0.00 43 D 7.99 4.38 0.00 2.99 2.71 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 44 I 7.71 3.72 2.02 0.00 0.00 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 1.59 1.19 0.90 0.00 0.00 45 S 8.22 4.04 0.00 4.15 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 46 K 8.06 4.10 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.49 7.81 47 I 7.66 4.22 2.01 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 1.59 2.09 0.92 0.00 0.00 48 E 8.32 3.88 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 49 S 7.43 4.20 0.00 3.98 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 50 F 7.36 3.83 0.00 3.44 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 51 E 8.79 4.51 0.00 2.00 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 2.30 2.43 0.00 52 R 7.53 4.73 0.00 1.94 1.97 0.00 2.97 0.00 0.00 3.47 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 53 R 8.38 4.49 0.00 1.80 1.86 0.00 3.08 0.00 0.00 2.91 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.51 0.00 54 L 8.92 4.42 0.00 1.66 1.72 1.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 D 9.36 4.79 0.00 3.00 2.84 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 0.00 0.00 0.00 56 A 8.51 4.06 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 57 L 8.07 4.16 0.00 1.85 1.90 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.14 4.30 0.00 2.17 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 2.38 2.53 0.00 59 L 7.99 3.88 0.00 1.69 1.74 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.74 4.15 0.00 3.51 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 61 E 8.53 4.05 0.00 2.24 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 0.00 2.42 2.53 0.00 62 L 8.28 3.97 0.00 1.80 1.86 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.91 3.97 0.00 1.76 1.70 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.46 3.93 0.00 2.18 2.17 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 2.32 2.34 0.00 65 V 7.57 3.46 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 0.57 0.00 0.00 -0.18 0.00 0.00 66 V 7.89 3.43 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 0.96 0.00 0.00 0.90 0.00 0.00 67 A 8.38 3.98 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 68 S 8.03 3.99 0.00 3.95 3.92 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 69 R 8.00 4.01 0.00 1.74 1.92 0.00 3.31 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 70 L 7.92 4.47 0.00 1.59 1.68 0.89 0.75 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 71 G 7.60 3.87 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 0.00 0.00 0.00 72 L 7.78 4.74 0.00 1.61 1.57 0.91 0.89 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 73 P 0.00 4.47 0.00 2.51 2.17 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 74 M 8.64 4.08 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 75 D 8.14 4.49 0.00 2.88 2.95 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 76 I 7.66 3.76 1.88 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 1.53 0.97 0.92 0.00 0.00 77 L 7.85 3.94 0.00 2.00 1.67 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.44 3.96 0.00 1.94 1.75 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.11 4.02 0.00 2.02 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.40 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.61 7.81 80 D 8.43 4.39 0.00 2.89 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 81 T 7.87 3.81 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 1.16 0.00 0.00 82 Y 8.21 4.32 0.00 3.03 3.25 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 83 E 8.49 3.74 0.00 1.88 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 2.39 2.64 0.00 84 S 7.54 4.32 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.86 3.83 1.77 0.00 0.00 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 1.23 0.59 0.86 0.00 0.00 86 S 8.52 4.16 0.00 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.24 0.00 1.71 1.84 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.31 7.81 88 S 7.68 4.22 0.00 3.76 3.64 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 * Residues marked with a * may have inaccurate shift predictions.