NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3203 8.0327 110.9368 61.2242 70.8444 174.9572 11 N 4.0986 8.3670 123.1416 57.1328 38.5017 175.2080 12 Q 4.0182 8.8072 120.2708 59.1357 29.4512 178.2094 13 L 4.1552 7.9527 119.4140 57.8678 41.6941 179.4988 14 Q 4.1278 8.3933 118.2850 59.0226 28.6810 177.9806 15 Y 4.1038 8.3106 120.7060 60.6002 38.5886 177.7653 16 L 4.1154 8.4719 120.2354 57.8890 41.4477 179.0266 17 H 4.2616 7.8677 116.8640 59.3261 30.1440 177.2545 18 K 4.0989 8.5195 118.9284 57.9318 32.1012 178.2675 19 V 4.0935 7.4688 116.7359 64.2456 32.8843 177.2208 20 V 3.7729 6.6128 115.4990 63.6136 31.5553 177.0283 *22 K 4.2548 8.1310 120.5804 56.4580 33.6944 177.7407 23 A 4.1702 7.8088 120.2705 55.2598 18.2224 178.8204 24 L 4.2887 8.4741 116.3015 57.5979 42.0456 179.4241 25 W 4.3066 8.6358 127.6842 59.9804 30.6695 176.4892 26 K 4.3209 7.6608 113.4331 56.9498 32.9798 176.3673 27 H 4.2375 7.8402 120.4101 56.0512 30.2499 176.0709 28 Q 4.1951 8.2769 123.5378 58.6855 28.6025 177.1694 29 F 4.9614 8.4506 116.4176 58.8472 39.6512 177.0944 30 A 4.1965 8.3553 124.4013 53.9970 18.4579 179.5211 31 W 4.2423 7.5934 112.8460 59.1423 28.0216 175.8235 32 P 3.8453 0.0000 0.0000 63.2021 30.5570 176.4728 33 F 4.7689 7.6984 116.6607 57.4078 40.6569 177.6772 34 R 4.1815 7.8205 119.7703 58.0446 30.1556 176.0142 35 Q 4.7791 7.2980 114.7022 53.2114 31.7707 173.0783 36 P 4.2425 0.0000 0.0000 62.3432 31.9122 176.6969 37 V 3.1704 8.1672 121.4139 63.3812 31.6296 175.1713 38 D 4.5370 8.3358 127.0013 52.4172 40.6663 176.2731 39 A 3.8477 8.3229 131.0329 54.9932 19.0479 179.8625 40 V 3.5683 7.9840 114.9229 66.2997 31.4941 178.3875 41 K 4.0360 7.9870 116.7661 59.1900 32.0552 178.7394 42 L 4.2703 8.0302 116.3990 54.0891 42.2611 176.8349 43 G 4.0064 7.5571 107.4046 47.1969 0.0000 175.1814 44 L 4.8125 8.1608 117.7717 51.5560 41.5118 175.9467 45 P 4.2904 0.0000 0.0000 65.5544 31.7606 177.8103 46 D 4.6974 8.1111 115.9111 53.5543 40.4865 177.2197 47 Y 3.4817 8.1996 122.2717 61.4115 38.4829 177.5856 48 H 4.7952 7.9708 115.0273 56.9004 29.1459 177.3190 49 K 4.1244 8.0011 119.9098 58.9447 31.9841 178.4841 50 I 4.2222 7.2842 118.7000 62.1673 37.6397 176.2343 51 I 4.0349 7.3480 123.2279 59.8298 37.0492 176.8217 52 K 4.1160 8.5562 126.0772 58.2426 32.3363 177.3332 53 Q 4.4566 7.5283 117.2025 52.5614 28.8153 173.0345 54 P 4.5143 0.0000 0.0000 62.3870 33.3934 177.7634 *56 D 4.5679 7.9482 118.1217 53.4242 40.3242 177.8464 *58 G 4.0643 8.6236 103.3872 45.8543 0.0000 174.4613 59 T 3.7495 8.5759 117.3258 66.3596 68.2561 176.9046 60 I 3.7104 7.4298 121.5714 63.9971 36.9542 178.4533 61 K 3.7572 7.7681 119.9821 59.5291 32.0030 178.4552 62 R 3.9903 7.7472 120.2717 58.9868 29.8312 178.6434 63 R 3.7750 7.8524 117.6166 59.0153 29.4644 178.9934 64 L 4.1688 8.2665 119.1775 57.8453 41.6288 179.4079 65 E 4.0819 8.5078 118.8715 58.5645 29.0799 178.0637 66 N 4.8836 7.5926 113.7283 52.0118 38.9645 174.4947 67 N 4.3305 7.8084 114.8980 54.3429 36.9231 175.0849 68 Y 4.1131 8.1161 121.4939 60.7468 38.9931 176.6547 69 Y 4.4349 7.6969 116.1036 57.6125 38.7754 175.3998 70 W 4.4602 8.8988 133.4381 59.6169 31.4956 176.3139 71 A 4.6889 7.9176 116.3803 50.2519 21.7362 176.3718 72 A 4.0374 9.0208 123.9141 55.5092 18.4807 180.3126 73 S 4.2338 8.3021 108.4566 61.6390 63.2534 175.5352 74 E 4.1331 8.6218 121.6868 59.3299 29.6573 179.4969 75 C 3.0725 7.0790 115.7056 59.4545 30.9349 174.8191 *77 Q 4.3591 8.1934 121.0598 55.7559 30.3879 176.8746 78 D 4.3243 8.0205 116.9188 57.2235 40.8231 178.2955 79 F 3.7892 7.9165 117.4305 60.4105 39.0319 176.9120 80 N 4.7091 8.1613 116.0843 56.8861 38.7424 177.6557 81 T 4.1562 7.9633 114.6846 64.0958 68.4111 176.1642 *83 F 4.5346 8.0020 121.0557 57.9571 41.0650 177.6610 84 T 4.1178 8.1973 117.2189 66.6739 68.1649 176.2638 85 N 4.3038 8.4125 118.7262 56.5530 38.5955 176.8367 86 C 4.2047 7.9749 119.2133 62.8807 31.3791 175.0270 87 Y 4.4179 7.4710 118.1563 61.3522 37.2327 178.8478 88 I 3.8963 8.1437 120.1196 64.1920 37.2755 177.4528 89 Y 4.2498 7.9401 119.2146 59.3950 39.2495 175.8177 90 N 4.5195 7.6413 115.4716 52.3535 39.7503 175.2275 91 K 4.1086 8.2484 119.7447 55.8816 32.7061 176.7861 92 P 4.3661 0.0000 0.0000 65.2870 31.4166 177.5846 93 T 4.2178 7.7039 106.6068 62.5038 69.4025 174.7689 94 D 4.4275 7.7586 122.0036 54.6167 41.7399 177.1350 95 D 4.4271 8.6742 124.7198 57.0555 41.3066 178.4205 96 I 3.4446 7.9855 119.1318 63.9362 38.3155 177.0025 97 V 3.8878 7.7158 118.8553 66.1408 31.4948 178.4732 98 L 4.0563 7.4829 116.9805 55.9040 41.6311 178.1301 *100 A 4.2413 8.1216 121.5549 51.9318 20.6195 179.7133 101 Q 4.0965 8.5095 116.4533 58.8564 28.3924 179.3666 102 T 3.9353 8.3588 116.9200 66.7656 68.5081 176.7167 103 L 3.9898 7.8930 120.3164 57.6808 41.6738 178.9808 104 E 3.1923 8.0312 119.5300 58.8236 29.3479 178.9355 105 K 3.8994 7.9467 118.4349 59.5819 32.0618 179.3574 106 I 3.6635 7.4215 119.5122 64.2273 36.9913 177.8813 107 F 4.0784 8.4560 121.9544 61.6337 39.1110 177.2973 108 L 3.5608 8.2652 118.5033 57.6116 41.1875 179.0261 109 Q 3.9025 7.9950 118.6637 59.4502 29.1884 178.7177 110 K 4.1840 8.2491 119.4129 59.3414 31.9558 179.3422 111 V 3.5042 7.6869 117.7835 66.1102 31.2923 177.7007 112 A 4.2941 7.7378 119.2432 53.1175 18.4715 177.2821 113 S 4.3162 7.6239 113.4088 56.5591 62.8630 172.2356 *115 P 4.1752 0.0000 0.0000 62.3285 33.0560 177.1996 116 Q 4.6294 7.8408 118.6885 56.9975 28.1908 173.4093 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 10 T 8.03 4.32 4.27 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 1.18 0.00 0.00 11 N 8.37 4.10 0.00 2.93 2.87 0.00 0.00 7.11 6.15 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 12 Q 8.81 4.02 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 13 L 7.95 4.16 0.00 1.76 1.83 1.07 0.95 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 14 Q 8.39 4.13 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 15 Y 8.31 4.10 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 16 L 8.47 4.12 0.00 2.02 1.92 1.01 1.17 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 17 H 7.87 4.26 0.00 3.29 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.52 4.10 0.00 1.91 1.81 0.00 1.33 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.41 7.81 19 V 7.47 4.09 1.17 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 0.69 0.00 0.00 0.75 0.00 0.00 20 V 6.61 3.77 2.31 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 0.86 0.00 0.00 0.78 0.00 0.00 *22 K 8.13 4.25 0.00 1.88 1.91 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.51 7.81 23 A 7.81 4.17 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 24 L 8.47 4.29 0.00 1.99 1.95 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.64 4.31 0.00 3.47 3.24 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 26 K 7.66 4.32 0.00 2.06 2.03 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.70 1.43 7.81 27 H 7.84 4.24 0.00 3.46 3.28 0.00 5.59 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 28 Q 8.28 4.20 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 29 F 8.45 4.96 0.00 3.16 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 30 A 8.36 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.24 0.00 3.58 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 32 P 0.00 3.85 0.00 0.49 0.95 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.00 33 F 7.70 4.77 0.00 3.13 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 34 R 7.82 4.18 0.00 1.71 1.75 0.00 2.57 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 35 Q 7.30 4.78 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 36 P 0.00 4.24 0.00 2.03 2.01 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 37 V 8.17 3.17 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 -0.37 0.00 0.00 0.57 0.00 0.00 38 D 8.34 4.54 0.00 2.65 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 0.00 0.00 0.00 0.00 39 A 8.32 3.85 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 40 V 7.98 3.57 2.18 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 1.06 0.00 0.00 0.93 0.00 0.00 41 K 7.99 4.04 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.60 7.81 42 L 8.03 4.27 0.00 1.67 1.66 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.56 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 44 L 8.16 4.81 0.00 1.65 1.65 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.29 0.00 2.21 2.25 0.00 3.91 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 2.05 2.02 0.00 46 D 8.11 4.70 0.00 2.93 3.02 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 47 Y 8.20 3.48 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.97 4.80 0.00 3.21 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.00 4.12 0.00 1.94 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 50 I 7.28 4.22 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.54 0.98 0.00 0.00 51 I 7.35 4.03 0.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.57 0.80 0.00 0.00 52 K 8.56 4.12 0.00 1.73 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.39 7.81 53 Q 7.53 4.46 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 54 P 0.00 4.51 0.00 2.09 2.15 0.00 3.73 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 2.16 2.23 0.00 *56 D 7.95 4.57 0.00 3.05 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 0.00 0.00 0.00 *58 G 8.62 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 0.00 0.00 0.00 59 T 8.58 3.75 4.28 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 1.03 0.00 0.00 60 I 7.43 3.71 1.51 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.59 0.00 0.00 61 K 7.77 3.76 0.00 1.52 1.42 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.20 7.81 62 R 7.75 3.99 0.00 2.00 1.91 0.00 3.12 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 63 R 7.85 3.78 0.00 1.84 1.26 0.00 2.79 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.35 0.00 64 L 8.27 4.17 0.00 1.67 1.57 1.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.51 4.08 0.00 2.06 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 2.31 2.35 0.00 66 N 7.59 4.88 0.00 2.72 2.83 0.00 0.00 7.06 8.87 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 67 N 7.81 4.33 0.00 2.94 2.93 0.00 0.00 6.82 7.34 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 68 Y 8.12 4.11 0.00 2.77 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 69 Y 7.70 4.43 0.00 3.18 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 70 W 8.90 4.46 0.00 3.18 3.31 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 71 A 7.92 4.69 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 72 A 9.02 4.04 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 73 S 8.30 4.23 0.00 4.04 4.09 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 74 E 8.62 4.13 0.00 2.44 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 2.55 2.40 0.00 75 C 7.08 3.07 0.00 1.40 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 *77 Q 8.19 4.36 0.00 2.61 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 78 D 8.02 4.32 0.00 2.79 2.57 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 79 F 7.92 3.79 0.00 2.61 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 0.00 0.00 0.00 80 N 8.16 4.71 0.00 3.04 3.06 0.00 0.00 7.18 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 81 T 7.96 4.16 4.34 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 1.22 0.00 0.00 *83 F 8.00 4.53 0.00 3.22 2.88 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 84 T 8.20 4.12 4.48 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 1.31 0.00 0.00 85 N 8.41 4.30 0.00 2.75 2.94 0.00 0.00 6.67 8.11 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 86 C 7.97 4.20 0.00 3.13 2.88 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 87 Y 7.47 4.42 0.00 3.14 2.94 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 88 I 8.14 3.90 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.96 0.00 0.00 89 Y 7.94 4.25 0.00 2.93 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 90 N 7.64 4.52 0.00 2.95 2.77 0.00 0.00 7.13 7.14 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 91 K 8.25 4.11 0.00 1.82 1.71 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.48 7.81 92 P 0.00 4.37 0.00 2.03 2.12 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 93 T 7.70 4.22 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 1.21 0.00 0.00 94 D 7.76 4.43 0.00 2.73 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 95 D 8.67 4.43 0.00 2.74 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 96 I 7.99 3.44 1.69 0.00 0.00 0.55 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 0.28 1.10 0.00 0.00 97 V 7.72 3.89 2.28 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 1.12 0.00 0.00 1.06 0.00 0.00 98 L 7.48 4.06 0.00 1.89 1.50 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *100 A 8.12 4.24 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 0.00 101 Q 8.51 4.10 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 102 T 8.36 3.94 4.66 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 1.34 0.00 0.00 103 L 7.89 3.99 0.00 1.83 1.89 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.03 3.19 0.00 1.16 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 2.24 2.10 0.00 105 K 7.95 3.90 0.00 1.98 1.83 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 106 I 7.42 3.66 1.99 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 1.42 0.69 0.93 0.00 0.00 107 F 8.46 4.08 0.00 2.95 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 0.00 108 L 8.27 3.56 0.00 1.64 1.60 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.99 3.90 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 110 K 8.25 4.18 0.00 1.86 1.85 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.56 7.81 111 V 7.69 3.50 1.81 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 0.65 0.00 0.00 0.24 0.00 0.00 112 A 7.74 4.29 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 0.00 113 S 7.62 4.32 0.00 3.93 3.82 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 *115 P 0.00 4.18 0.00 1.97 2.06 0.00 3.40 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 116 Q 7.84 4.63 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.