NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2486 8.1693 120.6219 54.4534 42.7127 177.0616 3 D 4.4447 8.2810 124.3599 51.8032 41.7481 175.3015 4 Q 3.9012 8.6862 120.6273 59.4506 29.3699 179.3652 5 Q 4.1317 8.0156 120.0748 59.2908 29.0294 178.2435 6 T 3.7507 8.1859 116.7499 66.7478 68.5828 176.5856 7 I 3.5618 7.6999 121.6288 64.5034 37.0524 178.2680 8 N 4.3259 8.7264 117.4738 56.3905 38.3953 177.5100 9 I 3.7132 8.1048 121.5838 64.3223 37.1444 178.6432 10 I 3.2608 7.6578 120.6971 64.2822 36.6980 178.6523 11 K 3.9823 8.2547 117.9612 59.4389 31.8884 178.9965 12 A 4.1844 8.1300 120.7338 54.9061 18.6384 179.1084 13 T 4.2997 8.2492 107.4501 63.4332 69.3909 177.1344 14 V 3.8444 8.0859 121.9058 66.0012 31.4593 176.1323 15 P 4.3183 0.0000 0.0000 65.3227 31.1407 178.7785 16 V 3.5439 7.7316 116.6624 65.9781 31.3632 177.7822 17 L 3.8649 7.5439 117.2218 57.8720 41.7591 179.3502 18 K 4.0851 8.6658 118.5374 59.6601 31.7549 179.2645 19 E 4.0832 8.0850 117.8105 59.2622 29.6043 178.0255 20 H 4.7783 8.3373 115.0576 55.6132 28.7863 177.1820 21 G 3.9999 7.9809 110.8634 48.2809 0.0000 176.6601 22 V 3.8249 7.7982 121.5872 64.4301 31.3029 178.4727 23 T 3.8826 7.9542 116.3835 66.4574 68.3031 176.8487 24 I 3.6763 7.6627 121.1661 64.6635 37.1948 178.2482 25 T 4.0067 8.3546 117.0727 67.1260 68.3622 176.7583 26 T 4.0244 8.0698 111.4607 65.2214 68.6694 176.6526 27 T 3.8651 8.1847 118.6682 66.0556 68.3639 176.4024 28 F 3.9651 8.4280 122.8354 61.7132 39.4328 176.9302 29 Y 3.1429 7.9909 116.1476 60.3492 37.6902 178.0565 30 K 3.8293 8.1651 120.7269 60.0010 32.2480 178.6769 31 N 4.3196 8.2983 116.6558 55.6736 38.5066 177.2639 32 L 3.5979 7.3964 122.1774 58.2765 41.8384 179.2215 33 F 4.5571 7.4333 115.7792 60.1404 38.8700 177.5535 34 A 4.1439 7.7182 119.6667 55.0614 18.3589 179.4473 35 K 4.0968 8.0722 115.3088 58.0644 33.6834 177.1740 36 H 5.3471 7.9575 115.0653 51.6657 29.6298 172.5309 37 P 4.4226 0.0000 0.0000 65.7759 31.4992 178.1948 38 E 4.1008 8.3664 115.6931 59.0087 29.3747 178.7315 39 V 4.1291 8.1376 112.3100 62.2610 31.9770 178.0050 40 R 3.8844 7.9299 118.9690 59.2017 29.7409 176.8584 41 P 4.3193 0.0000 0.0000 65.6067 31.3492 178.2439 42 L 4.0929 7.9516 117.1530 59.2548 41.9731 177.6300 43 F 4.5336 8.2328 119.5122 57.0734 40.1100 176.2045 *52 E 4.1650 8.5660 126.7056 56.9847 30.6738 176.4310 53 Q 4.4726 7.8238 114.9331 53.0126 30.4751 173.9229 54 P 4.5531 0.0000 0.0000 63.0577 32.0768 176.5178 55 K 4.4970 8.2367 114.6962 55.5548 36.4767 177.7261 56 A 4.3073 8.2256 120.3195 53.6913 18.5596 178.6035 57 L 3.8484 8.1357 119.1018 58.6934 42.0901 179.0862 58 A 3.7419 7.7112 119.7246 55.3259 18.4239 179.3753 59 M 4.0984 7.9587 116.7752 58.6627 32.0228 178.9858 60 T 3.9791 8.1337 116.2110 66.5636 68.6328 176.9842 61 V 3.6895 8.0087 120.2840 65.9734 31.4900 178.1407 62 L 4.2890 8.1524 118.7076 57.6365 41.2151 179.2861 63 A 4.0263 8.0546 119.7612 55.1748 18.6541 179.2382 64 A 4.1200 8.3750 119.3183 55.2866 18.4639 179.7637 65 A 4.0031 8.6395 119.7354 55.3338 18.2137 179.8908 66 Q 4.1150 8.2035 115.9480 58.3681 28.8718 177.4613 67 N 4.8317 7.6630 116.0991 53.0363 38.6455 176.6742 68 I 3.6127 7.4965 123.6390 64.0197 38.0948 177.0172 69 E 4.1784 8.0186 117.9350 58.1501 30.3464 176.6087 70 N 4.9922 8.1591 117.4632 51.4496 39.5178 174.2518 71 L 4.0155 7.9950 122.2641 57.0336 42.7743 178.0407 72 P 4.1549 0.0000 0.0000 65.4496 31.4025 178.1209 73 A 3.9984 7.7783 120.1025 54.5294 18.4639 178.5891 74 I 4.3541 7.8172 108.4121 60.9076 37.8108 177.2444 75 L 3.8291 7.7422 123.3354 58.2301 40.9159 177.7483 76 P 4.1840 0.0000 0.0000 65.1722 31.1298 178.6598 77 A 3.9579 7.8380 119.2931 55.1014 18.5943 179.2471 78 V 3.2170 7.6984 116.9554 66.1862 31.3854 177.9653 79 K 3.7715 8.4023 119.2804 59.5655 31.8504 178.6227 80 K 3.9945 7.7384 118.8168 59.3494 32.0100 178.9717 81 I 3.7285 8.1217 120.2496 64.2736 37.0602 177.9265 82 A 4.3629 8.4737 123.3372 54.6794 18.0314 179.8161 83 V 3.5128 7.6146 115.9761 66.1215 31.4931 178.4792 84 K 4.0055 7.7532 118.2874 59.6674 31.7953 179.0525 85 H 4.2440 8.5678 116.8875 59.2842 28.4489 177.7381 86 C 4.1782 8.4427 120.2212 62.1283 27.6184 175.9413 87 Q 4.0837 8.3062 120.6984 58.8910 28.7230 177.5944 88 A 4.2794 8.0962 120.6717 52.8104 18.6847 177.9940 89 G 3.9637 7.7075 104.0093 45.6098 0.0000 173.8600 90 V 3.6902 8.0115 119.5333 62.3080 32.1437 175.2160 91 A 4.9378 8.7432 128.7381 49.9184 21.8226 176.9761 92 A 4.2345 8.8198 122.6390 55.4804 18.5083 179.8267 93 A 4.3275 7.9150 116.2531 54.3342 19.0701 178.7330 94 H 4.4575 8.4409 114.0220 58.5497 28.5547 177.1424 95 Y 4.1202 8.1488 118.8749 60.8800 37.7491 177.1187 96 P 4.4570 0.0000 0.0000 65.3333 31.5223 178.7397 97 I 3.7326 7.7173 111.8720 63.9199 37.6306 178.3863 98 V 3.7686 7.8842 120.2076 65.5119 31.3035 178.2445 99 G 2.5906 8.2646 105.8809 47.3724 0.0000 175.2926 100 Q 3.9193 8.3693 122.6324 59.1417 29.0864 178.5069 101 E 4.0170 8.1283 119.2655 58.8994 29.4465 179.0633 102 L 3.8339 8.4022 121.0593 58.1935 42.0563 179.0668 103 L 4.0602 8.0259 119.1288 57.4971 41.4015 179.6326 104 G 3.6306 8.0374 105.5366 47.8892 0.0000 175.5314 105 A 3.9736 7.8958 123.5222 54.8578 18.3866 179.8582 106 I 3.5090 7.7066 118.3388 64.0252 36.8654 178.4688 107 K 3.8213 7.9524 119.7861 59.5822 32.2728 178.1143 108 E 4.1030 8.2559 118.8166 59.8735 29.2571 180.1107 109 V 3.7164 7.9205 111.0052 64.2364 31.8088 178.4349 110 L 4.0691 8.7431 119.1185 54.0488 41.6765 179.7299 111 G 4.0686 8.4635 106.4279 46.6191 0.0000 177.2601 112 D 4.3659 9.1118 124.8083 56.2694 40.7518 176.4922 113 A 4.2766 8.1139 120.3469 52.5236 19.6361 177.6418 114 A 4.3585 7.4897 120.9952 51.5499 17.1185 177.5549 115 T 4.1949 7.3678 114.7255 60.8019 71.5431 175.1087 116 D 4.3659 8.5560 120.8061 57.8559 40.8983 178.7017 117 D 4.4043 8.1865 118.6538 57.7058 40.7978 179.0582 118 I 3.8880 7.8527 120.1143 64.3454 37.0703 178.5287 119 L 4.1913 8.1581 119.9578 57.8650 41.3774 179.2489 120 D 4.3804 8.4803 118.8495 57.1909 40.6612 178.5951 121 A 3.9355 8.1298 121.2460 55.1626 18.3689 179.8295 122 W 3.9985 8.3858 117.5150 59.4572 28.9858 179.0836 123 G 3.7220 8.4026 106.0544 47.8310 0.0000 175.8119 124 K 3.9637 8.4673 121.8048 59.0291 32.1228 179.3012 125 A 3.9106 8.2602 121.2793 55.3096 18.2791 179.0108 126 Y 4.1453 8.6846 118.6533 60.6157 38.7463 178.3295 127 G 3.6021 8.2783 106.7378 48.0446 0.0000 175.5658 128 V 3.5321 7.7572 121.3514 65.6211 31.4198 178.2682 129 I 3.7582 7.7960 119.1433 64.2122 36.9501 178.2194 130 A 3.7848 8.0337 122.0155 55.1470 18.1247 179.2353 131 D 4.2233 8.1958 117.6668 57.4309 40.8424 179.3943 132 V 3.4746 7.4071 117.8249 66.0881 31.5281 178.1306 133 F 4.0031 8.0429 117.0577 60.4983 38.7365 177.6991 134 I 3.5732 7.8583 119.8260 64.3558 36.8170 178.2789 135 Q 3.9231 7.9970 120.2615 59.0966 28.9020 178.2373 136 V 3.5167 7.7053 119.2173 66.3086 31.2042 177.9482 137 E 3.8771 8.4917 118.0258 59.0740 29.1460 179.2499 138 A 4.2738 8.1131 121.0980 55.4037 18.4065 179.4755 139 D 4.3218 8.4096 117.4763 57.2926 40.5810 178.9515 140 L 4.0176 7.6254 119.0456 57.5912 41.8181 178.5930 141 Y 4.4736 8.4455 117.0795 60.9414 37.7796 178.4085 142 A 4.0036 8.3972 121.8568 55.4088 18.3047 179.3847 143 Q 3.9600 8.4309 117.9729 59.3974 28.7241 178.6201 144 A 4.0908 7.7884 120.3653 54.2110 18.4753 178.8714 145 V 4.0813 8.6117 108.6151 60.9637 32.1466 175.7403 146 E 4.6335 7.4693 125.2363 55.7597 31.7247 175.8700 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 2 L 8.17 4.25 0.00 1.58 1.65 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.28 4.44 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.69 3.90 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 5 Q 8.02 4.13 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 6 T 8.19 3.75 4.41 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 1.09 0.00 0.00 7 I 7.70 3.56 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.85 0.00 0.00 8 N 8.73 4.33 0.00 2.88 2.85 0.00 0.00 7.04 7.31 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 9 I 8.10 3.71 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 1.54 1.00 0.93 0.00 0.00 10 I 7.66 3.26 1.66 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.33 0.37 0.00 0.00 11 K 8.25 3.98 0.00 1.66 1.88 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.58 7.81 12 A 8.13 4.18 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 13 T 8.25 4.30 4.43 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 1.37 0.00 0.00 14 V 8.09 3.84 2.29 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 1.28 0.00 0.00 1.20 0.00 0.00 15 P 0.00 4.32 0.00 2.23 2.11 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 16 V 7.73 3.54 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 0.98 0.00 0.00 0.97 0.00 0.00 17 L 7.54 3.86 0.00 1.66 1.46 -0.43 0.70 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 18 K 8.67 4.09 0.00 1.90 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.74 7.81 19 E 8.08 4.08 0.00 2.19 2.06 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 2.36 2.36 0.00 20 H 8.34 4.78 0.00 3.29 3.24 0.00 5.68 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 21 G 7.98 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 0.00 0.00 0.00 22 V 7.80 3.82 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 0.84 0.00 0.00 0.94 0.00 0.00 23 T 7.95 3.88 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 1.18 0.00 0.00 24 I 7.66 3.68 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.80 0.00 0.00 25 T 8.35 4.01 4.51 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 1.49 0.00 0.00 26 T 8.07 4.02 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 1.28 0.00 0.00 27 T 8.18 3.87 4.31 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 1.24 0.00 0.00 28 F 8.43 3.97 0.00 3.01 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 29 Y 7.99 3.14 0.00 2.97 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 30 K 8.17 3.83 0.00 1.99 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 31 N 8.30 4.32 0.00 2.59 2.83 0.00 0.00 6.77 7.59 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 32 L 7.40 3.60 0.00 0.58 0.66 0.65 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.43 4.56 0.00 3.02 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 34 A 7.72 4.14 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 35 K 8.07 4.10 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.51 7.81 36 H 7.96 5.35 0.00 3.33 3.34 0.00 5.65 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 37 P 0.00 4.42 0.00 2.18 2.14 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 38 E 8.37 4.10 0.00 2.21 2.27 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 2.46 2.43 0.00 39 V 8.14 4.13 2.26 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 0.95 0.00 0.00 1.26 0.00 0.00 40 R 7.93 3.88 0.00 1.96 1.84 0.00 3.20 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.87 0.00 41 P 0.00 4.32 0.00 2.05 2.14 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 42 L 7.95 4.09 0.00 1.56 1.50 0.80 0.73 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 43 F 8.23 4.53 0.00 2.93 3.04 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 *52 E 8.57 4.17 0.00 1.93 1.95 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 2.19 2.34 0.00 53 Q 7.82 4.47 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 54 P 0.00 4.55 0.00 2.23 2.28 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.83 0.00 55 K 8.24 4.50 0.00 1.72 1.84 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.33 7.81 56 A 8.23 4.31 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 57 L 8.14 3.85 0.00 1.86 1.64 -0.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.71 3.74 1.08 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 0.00 0.00 59 M 7.96 4.10 0.00 2.07 2.16 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 2.71 2.60 0.00 60 T 8.13 3.98 4.45 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 1.34 0.00 0.00 61 V 8.01 3.69 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 1.23 0.00 0.00 1.05 0.00 0.00 62 L 8.15 4.29 0.00 1.98 1.78 0.85 0.46 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 63 A 8.05 4.03 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 64 A 8.37 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 4.00 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 66 Q 8.20 4.12 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.21 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 67 N 7.66 4.83 0.00 2.99 2.80 0.00 0.00 6.49 8.08 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 68 I 7.50 3.61 1.95 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 1.19 0.55 0.88 0.00 0.00 69 E 8.02 4.18 0.00 1.98 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 2.27 2.26 0.00 70 N 8.16 4.99 0.00 2.66 2.61 0.00 0.00 7.01 7.08 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 71 L 7.99 4.02 0.00 1.70 1.67 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.15 0.00 2.14 2.08 0.00 3.46 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 73 A 7.78 4.00 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 74 I 7.82 4.35 1.87 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 1.56 0.70 0.92 0.00 0.00 75 L 7.74 3.83 0.00 1.81 1.72 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.18 0.00 2.14 2.08 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 77 A 7.84 3.96 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 78 V 7.70 3.22 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 0.15 0.00 0.00 0.66 0.00 0.00 79 K 8.40 3.77 0.00 1.81 1.87 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 80 K 7.74 3.99 0.00 2.08 1.79 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.53 7.81 81 I 8.12 3.73 2.22 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.98 0.00 0.00 82 A 8.47 4.36 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 83 V 7.61 3.51 2.27 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 1.10 0.00 0.00 0.95 0.00 0.00 84 K 7.75 4.01 0.00 1.92 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 85 H 8.57 4.24 0.00 3.44 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.44 4.18 0.00 2.70 2.51 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 87 Q 8.31 4.08 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 88 A 8.10 4.28 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 89 G 7.71 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 0.00 0.00 0.00 90 V 8.01 3.69 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 0.67 0.00 0.00 0.74 0.00 0.00 91 A 8.74 4.94 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 92 A 8.82 4.23 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 93 A 7.92 4.33 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 94 H 8.44 4.46 0.00 3.20 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.15 4.12 0.00 3.36 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 96 P 0.00 4.46 0.00 2.22 2.19 0.00 3.81 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 97 I 7.72 3.73 1.54 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.50 0.88 0.00 0.00 98 V 7.88 3.77 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 0.89 0.00 0.00 0.95 0.00 0.00 99 G 8.26 2.59 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 0.00 100 Q 8.37 3.92 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 101 E 8.13 4.02 0.00 2.03 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 0.00 2.42 2.26 0.00 102 L 8.40 3.83 0.00 1.31 1.41 0.55 0.43 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 0.00 103 L 8.03 4.06 0.00 1.79 1.69 0.98 0.77 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 0.00 104 G 8.04 3.63 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 0.00 0.00 0.00 105 A 7.90 3.97 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 0.00 106 I 7.71 3.51 1.81 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.57 0.50 0.00 0.00 107 K 7.95 3.82 0.00 1.79 2.13 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 108 E 8.26 4.10 0.00 2.16 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 2.32 2.47 0.00 109 V 7.92 3.72 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 0.73 0.00 0.00 0.94 0.00 0.00 110 L 8.74 4.07 0.00 1.66 1.66 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.46 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.11 4.37 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.28 1.32 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 0.00 0.00 0.00 114 A 7.49 4.36 1.32 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 0.00 0.00 0.00 115 T 7.37 4.19 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 1.23 0.00 0.00 116 D 8.56 4.37 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.19 4.40 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.85 3.89 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.61 1.11 0.00 0.00 119 L 8.16 4.19 0.00 1.88 1.77 0.94 0.91 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 0.00 120 D 8.48 4.38 0.00 2.92 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 0.00 121 A 8.13 3.94 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 0.00 122 W 8.39 4.00 0.00 3.47 3.34 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 0.00 123 G 8.40 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 0.00 124 K 8.47 3.96 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 125 A 8.26 3.91 1.07 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 0.00 0.00 0.00 0.00 0.00 126 Y 8.68 4.15 0.00 3.23 3.28 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 0.00 127 G 8.28 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.76 3.53 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 0.98 0.00 0.00 0.91 0.00 0.00 129 I 7.80 3.76 1.80 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 1.06 0.00 0.00 130 A 8.03 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.20 4.22 0.00 2.77 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 0.00 132 V 7.41 3.47 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 0.80 0.00 0.00 0.92 0.00 0.00 133 F 8.04 4.00 0.00 3.06 3.27 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 0.00 134 I 7.86 3.57 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.31 0.87 0.00 0.00 135 Q 8.00 3.92 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 136 V 7.71 3.52 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 0.88 0.00 0.00 0.84 0.00 0.00 137 E 8.49 3.88 0.00 2.23 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 0.00 2.44 2.42 0.00 138 A 8.11 4.27 1.48 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 0.00 0.00 139 D 8.41 4.32 0.00 2.81 2.72 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 0.00 140 L 7.63 4.02 0.00 1.62 1.57 0.83 0.87 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 0.00 141 Y 8.45 4.47 0.00 3.26 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 0.00 142 A 8.40 4.00 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 0.00 143 Q 8.43 3.96 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 144 A 7.79 4.09 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 0.00 145 V 8.61 4.08 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 0.78 0.00 0.00 1.05 0.00 0.00 146 E 7.47 4.63 0.00 2.00 2.06 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 2.13 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.