NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8970 8.3544 109.7288 45.3806 0.0000 172.1768 4 V 4.2677 7.8953 117.6596 60.6581 34.9293 174.2771 5 I 4.1848 9.1839 129.2971 60.0981 38.9578 173.9006 6 E 5.1757 8.5473 127.0543 55.0383 31.2125 175.1438 7 Y 4.8757 9.1154 122.0759 56.3882 41.2021 174.7504 8 S 5.3384 8.7471 118.2282 57.0235 65.2833 173.5757 9 L 4.6504 8.8138 123.5256 52.8299 45.3945 175.7680 10 K 4.9197 8.6192 123.2784 55.0614 32.8175 176.2578 11 T 4.0198 8.2509 116.1670 61.3446 69.8411 173.0391 12 S 4.4802 8.5636 112.2525 59.3309 65.6749 174.1256 13 N 4.4731 7.9540 120.9901 52.3861 39.8162 174.4323 14 D 4.6927 8.9210 122.7036 57.2526 41.8574 175.9914 15 D 5.3694 8.1604 115.8871 52.6499 44.1142 175.3193 16 Q 4.5514 8.7333 119.9639 55.4514 33.4002 172.5751 17 F 5.0477 9.0938 124.9925 56.2373 40.4754 175.1419 18 I 4.4584 8.9029 126.5536 59.4790 38.9164 174.8544 19 D 4.6627 9.0492 128.3018 53.7024 41.6324 175.5828 20 I 4.3759 8.2821 120.3279 60.8324 38.2764 177.8408 21 T 3.7507 8.3297 120.9043 67.6903 68.1233 176.0080 22 N 4.2884 7.9472 117.6960 56.1381 38.6158 177.2617 23 L 3.6237 7.6246 119.9824 57.5485 41.5801 179.6407 24 V 3.6329 7.6371 118.0739 66.0603 31.4963 178.2503 25 K 3.9518 8.1860 118.3315 59.1815 31.8138 179.1994 26 K 3.9158 8.5194 120.2016 59.6110 32.2113 178.7887 27 A 4.1317 8.1532 121.0020 54.9212 17.9388 179.8786 28 V 3.5069 7.9383 116.9429 66.4429 31.4935 178.0170 29 D 4.3746 8.2322 117.5935 57.4445 40.7147 178.2532 30 E 4.1192 8.1602 119.1293 58.8960 29.6767 178.6398 31 S 4.2625 7.7645 114.1169 59.4899 63.2302 175.3669 32 G 4.0137 7.8985 109.9064 45.1274 0.0000 174.2159 33 V 3.7876 7.0850 111.7509 62.0138 32.2831 175.4467 34 S 4.7234 8.6402 115.3415 59.2406 65.2172 173.5271 35 D 5.0362 7.7510 118.2315 53.7041 44.3266 173.2261 36 G 4.2915 9.3730 117.0922 46.9476 0.0000 175.1680 *38 A 4.6278 8.8156 128.5628 51.7315 20.7489 177.0496 39 V 4.5980 8.8282 123.6163 61.5491 33.8880 174.6078 40 V 4.8265 8.7828 128.5155 61.2684 33.5794 173.9372 41 F 5.1850 9.6802 130.7276 56.4671 42.4433 173.1164 42 C 4.8004 7.8794 126.9478 56.5497 32.5608 171.1533 43 P 4.8568 0.0000 0.0000 63.4550 31.5741 175.3300 44 H 4.9836 7.7611 114.7271 55.2173 31.7954 174.0440 45 T 4.2559 8.4532 111.7485 62.8145 69.1269 175.5236 46 T 4.6979 7.7217 112.2091 61.1410 70.1330 172.9989 47 A 4.5303 7.8239 121.9615 52.0771 22.8088 175.8815 48 G 3.8635 7.4852 103.4799 45.8145 0.0000 171.8208 49 I 5.0579 8.0539 119.9790 59.9062 40.8307 175.0357 50 T 4.7244 8.7678 119.4930 60.9450 71.7374 172.0390 51 I 5.0705 8.1849 124.3800 59.8145 40.0125 174.6118 52 N 4.9167 9.3029 124.7441 52.5192 42.9155 171.9099 53 E 4.4674 9.0378 119.6183 57.2859 29.3418 176.9384 54 N 5.4393 10.0554 123.2486 52.3768 38.3644 175.6285 55 A 4.4187 8.3400 121.3716 53.9737 20.9330 177.0618 56 D 4.6871 8.0131 117.6222 52.5185 41.8422 175.2016 57 P 4.3217 0.0000 0.0000 65.7428 31.2512 178.2557 58 D 4.3904 8.7920 117.9406 56.7304 40.5963 178.8841 59 V 3.5259 7.6723 119.6538 66.0847 31.5359 178.1541 60 T 3.1935 7.5523 109.1199 64.2738 68.6195 176.5071 61 R 3.7247 7.5492 121.1758 59.3663 30.0996 178.3137 62 D 4.2948 8.3670 119.0930 57.1495 40.7458 178.9298 63 I 3.6525 7.4956 120.4429 64.2151 37.1201 178.3894 64 L 4.1265 7.6371 119.7369 57.9504 41.4849 179.8585 65 V 3.6123 7.8795 118.1469 66.1763 31.5207 177.8463 66 N 4.3760 8.2102 116.1971 55.8885 38.2672 177.2823 67 L 4.0626 8.1464 122.1726 58.0667 41.9668 178.4658 68 D 4.3567 8.1756 118.2089 57.1109 40.9307 178.1256 69 K 3.9029 7.9017 119.4057 59.5539 32.2909 178.6953 70 V 3.5926 7.4887 117.3138 64.1705 32.7103 176.0420 71 F 4.9033 7.8307 116.7844 54.8293 39.0498 174.0092 72 P 4.9297 0.0000 0.0000 61.7994 29.1972 177.3180 *83 N 4.7151 7.8286 124.1775 53.3748 39.2128 177.5851 84 S 4.3626 8.1860 115.5698 62.1901 63.3876 174.5706 85 H 4.1912 8.2704 119.0830 58.6331 28.3268 177.2860 86 A 3.7712 7.2712 123.4518 54.9848 18.0636 179.3223 87 H 4.3813 7.7912 115.6234 58.5168 28.8480 177.7444 88 I 3.4920 7.6364 120.3717 63.8903 37.5328 178.1178 89 K 3.5295 7.2720 118.0162 58.9687 31.6728 178.8511 90 A 4.2023 7.6135 120.5835 55.3772 18.3827 179.6511 91 S 4.2192 7.5425 112.2710 61.2365 62.8458 176.5848 92 L 4.1678 7.2281 118.2600 54.6260 41.5074 176.9610 *94 G 3.7109 7.4375 107.9708 45.3609 0.0000 174.2568 95 S 4.1637 8.2706 115.0374 59.7863 64.2831 173.4523 96 S 5.0115 7.4362 112.9157 57.9051 65.4083 173.9687 97 Q 4.7089 8.8352 118.5873 54.3575 33.3749 173.7946 98 Q 5.1305 8.7102 121.6412 54.4879 31.8351 174.6460 99 I 4.7103 8.5447 125.8508 59.3439 40.7482 175.3600 100 I 3.9513 8.4639 127.5634 61.4264 38.6007 174.7305 101 I 4.8135 8.5901 127.8073 59.7488 39.1640 174.4317 102 E 4.6945 8.9560 128.1057 54.7493 32.9927 175.0981 103 N 4.3775 8.9632 123.7828 55.2599 36.5403 174.0716 104 G 4.0858 8.7154 100.3337 45.7612 0.0000 173.5954 105 K 4.5535 7.6131 117.6986 54.0056 35.6231 174.9746 106 L 4.4102 8.4151 125.7914 54.9619 42.2082 178.3629 107 K 4.2552 9.1951 128.9300 55.0935 30.4768 175.6854 108 L 4.6272 7.3586 121.0393 52.4472 44.4324 177.0163 109 G 3.8931 9.2447 110.3057 45.3584 0.0000 175.0073 110 T 3.5236 8.5043 116.3403 65.9320 68.4595 175.6131 111 W 4.9350 7.8895 117.6421 55.6641 29.5121 174.6058 112 Q 4.9124 7.8936 118.8519 55.0474 29.0430 175.6062 113 G 4.0882 9.2034 111.3875 44.2929 0.0000 171.5876 114 I 4.7583 8.3669 123.2627 60.0132 39.1160 174.5204 115 Y 5.2053 9.3160 124.6923 56.0961 41.6468 174.3340 116 F 4.8677 9.3079 126.3692 57.1614 41.5399 174.6135 117 T 4.1580 7.7858 117.8860 59.7880 69.7027 172.8967 118 E 4.3808 8.8578 130.0513 55.8403 30.6249 176.4565 119 F 5.2699 8.3713 123.1416 56.6554 40.8165 175.4477 120 D 4.6976 8.3989 119.6689 52.8008 40.5049 174.8173 121 G 4.1438 7.7571 105.9333 44.6662 0.0000 171.9555 122 P 4.8402 0.0000 0.0000 62.7013 32.5408 175.7967 123 R 4.6294 8.7466 120.3396 55.3380 35.6580 173.8477 124 D 4.5819 8.6155 120.4320 53.6240 41.2564 176.6651 125 R 4.5791 8.9678 123.4719 54.5613 33.0932 175.6167 126 K 5.2366 8.5657 118.0184 55.1067 36.4578 176.5406 127 V 4.5669 8.7190 115.1853 59.7835 35.9963 174.4800 128 F 5.6613 9.2799 123.8136 55.9652 41.8861 175.0009 129 V 4.9648 9.0053 122.2709 61.1748 34.4280 173.8794 130 K 4.8423 9.1451 130.0003 54.7035 34.5131 174.5838 131 I 4.6411 8.4236 128.2720 60.2289 38.5150 175.1424 132 I 4.4489 8.2858 126.7944 59.9183 40.7513 175.6657 133 L 3.9137 8.5251 124.9931 55.7542 42.9824 174.1790 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 3 G 8.35 3.90 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 0.00 0.00 0.00 4 V 7.90 4.27 1.89 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 0.82 0.00 0.00 0.82 0.00 0.00 5 I 9.18 4.18 1.80 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 1.14 0.45 0.39 0.00 0.00 6 E 8.55 5.18 0.00 1.85 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 2.22 2.21 0.00 7 Y 9.12 4.88 0.00 2.96 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 8 S 8.75 5.34 0.00 3.77 3.78 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 9 L 8.81 4.65 0.00 1.07 1.21 0.17 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.62 4.92 0.00 1.56 1.74 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.45 7.81 11 T 8.25 4.02 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 1.16 0.00 0.00 12 S 8.56 4.48 0.00 3.99 3.80 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 0.00 0.00 0.00 13 N 7.95 4.47 0.00 2.72 2.78 0.00 0.00 6.84 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.92 4.69 0.00 2.88 2.73 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 15 D 8.16 5.37 0.00 2.63 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 16 Q 8.73 4.55 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 17 F 9.09 5.05 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.90 4.46 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.89 0.00 0.00 19 D 9.05 4.66 0.00 2.75 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 20 I 8.28 4.38 1.74 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 1.39 0.55 0.91 0.00 0.00 21 T 8.33 3.75 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 1.14 0.00 0.00 22 N 7.95 4.29 0.00 2.67 2.79 0.00 0.00 7.11 6.74 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 23 L 7.62 3.62 0.00 1.53 0.80 0.66 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.64 3.63 2.21 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 1.06 0.00 0.00 1.02 0.00 0.00 25 K 8.19 3.95 0.00 1.95 1.83 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.58 7.81 26 K 8.52 3.92 0.00 1.88 2.06 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.54 7.81 27 A 8.15 4.13 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 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 1.03 0.00 0.00 1.01 0.00 0.00 29 D 8.23 4.37 0.00 2.67 2.73 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 30 E 8.16 4.12 0.00 2.10 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 2.32 0.00 31 S 7.76 4.26 0.00 4.10 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 32 G 7.90 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 33 V 7.08 3.79 2.09 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 0.66 0.00 0.00 0.94 0.00 0.00 34 S 8.64 4.72 0.00 3.87 3.80 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 0.00 0.00 0.00 35 D 7.75 5.04 0.00 2.51 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 36 G 9.37 4.29 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 0.00 *38 A 8.82 4.63 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 39 V 8.83 4.60 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 1.11 0.00 0.00 0.98 0.00 0.00 40 V 8.78 4.83 2.13 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 0.95 0.00 0.00 0.99 0.00 0.00 41 F 9.68 5.18 0.00 3.13 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 42 C 7.88 4.80 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.86 0.00 2.23 2.15 0.00 3.69 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 0.00 44 H 7.76 4.98 0.00 3.06 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.45 4.26 4.32 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 1.24 0.00 0.00 46 T 7.72 4.70 4.18 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 0.91 0.00 0.00 47 A 7.82 4.53 0.81 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 0.00 0.00 48 G 7.49 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.05 5.06 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.89 0.88 0.00 0.00 50 T 8.77 4.72 4.20 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 1.14 0.00 0.00 51 I 8.18 5.07 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 1.25 0.83 1.02 0.00 0.00 52 N 9.30 4.92 0.00 2.99 2.88 0.00 0.00 6.36 7.67 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 53 E 9.04 4.47 0.00 2.06 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 2.33 2.61 0.00 54 N 10.06 5.44 0.00 2.88 3.14 0.00 0.00 6.57 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.34 4.42 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.01 4.69 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.19 2.10 0.00 3.66 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 58 D 8.79 4.39 0.00 2.75 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 59 V 7.67 3.53 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 1.00 0.00 0.00 0.89 0.00 0.00 60 T 7.55 3.19 3.39 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 0.71 0.00 0.00 61 R 7.55 3.72 0.00 1.82 2.06 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 62 D 8.37 4.29 0.00 2.75 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 63 I 7.50 3.65 1.52 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 1.06 0.00 0.00 64 L 7.64 4.13 0.00 1.81 1.76 0.90 0.99 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 65 V 7.88 3.61 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 1.02 0.00 0.00 0.97 0.00 0.00 66 N 8.21 4.38 0.00 2.96 2.83 0.00 0.00 6.69 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.15 4.06 0.00 2.14 1.76 1.03 1.11 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 68 D 8.18 4.36 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.90 3.90 0.00 1.92 1.90 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 70 V 7.49 3.59 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.81 0.00 0.00 71 F 7.83 4.90 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.93 0.00 2.16 2.08 0.00 3.46 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 *83 N 7.83 4.72 0.00 2.88 3.17 0.00 0.00 5.87 7.53 0.00 0.00 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 S 8.19 4.36 0.00 4.06 4.17 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 85 H 8.27 4.19 0.00 3.55 3.73 0.00 5.46 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 86 A 7.27 3.77 1.27 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 0.00 0.00 87 H 7.79 4.38 0.00 3.36 3.30 0.00 6.10 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 88 I 7.64 3.49 1.60 0.00 0.00 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 0.60 0.95 0.47 0.00 0.00 89 K 7.27 3.53 0.00 0.79 0.74 0.00 1.27 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.12 1.19 7.81 90 A 7.61 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 91 S 7.54 4.22 0.00 3.83 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 92 L 7.23 4.17 0.00 1.67 1.65 0.69 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *94 G 7.44 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 95 S 8.27 4.16 0.00 3.34 3.91 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 96 S 7.44 5.01 0.00 4.15 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 97 Q 8.84 4.71 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 98 Q 8.71 5.13 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 99 I 8.54 4.71 1.89 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 1.24 0.68 0.92 0.00 0.00 100 I 8.46 3.95 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 1.36 0.93 0.92 0.00 0.00 101 I 8.59 4.81 2.00 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 1.12 0.86 0.98 0.00 0.00 102 E 8.96 4.69 0.00 1.96 1.72 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 2.19 2.27 0.00 103 N 8.96 4.38 0.00 2.95 2.86 0.00 0.00 7.12 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.72 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 0.00 0.00 0.00 105 K 7.61 4.55 0.00 1.74 1.74 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.43 7.81 106 L 8.42 4.41 0.00 1.66 1.60 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 107 K 9.20 4.26 0.00 1.74 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 108 L 7.36 4.63 0.00 1.64 1.55 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.24 3.89 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 0.00 0.00 0.00 110 T 8.50 3.52 3.62 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 0.24 0.00 0.00 111 W 7.89 4.93 0.00 3.45 3.43 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 0.00 112 Q 7.89 4.91 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 113 G 9.20 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 0.00 0.00 0.00 114 I 8.37 4.76 1.77 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 1.20 0.54 0.89 0.00 0.00 115 Y 9.32 5.21 0.00 2.74 2.49 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 0.00 116 F 9.31 4.87 0.00 3.01 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 0.00 117 T 7.79 4.16 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 0.04 0.00 0.00 118 E 8.86 4.38 0.00 2.27 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 2.34 0.00 119 F 8.37 5.27 0.00 3.11 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 0.00 120 D 8.40 4.70 0.00 2.64 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 0.00 121 G 7.76 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 0.00 0.00 0.00 0.00 122 P 0.00 4.84 0.00 2.09 2.24 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 123 R 8.75 4.63 0.00 1.74 1.81 0.00 3.37 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 124 D 8.62 4.58 0.00 2.56 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 0.00 125 R 8.97 4.58 0.00 1.33 1.59 0.00 2.82 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 126 K 8.57 5.24 0.00 1.59 1.73 0.00 1.85 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.54 7.81 127 V 8.72 4.57 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 0.99 0.00 0.00 1.10 0.00 0.00 128 F 9.28 5.66 0.00 3.06 2.83 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 0.00 0.00 0.00 129 V 9.01 4.96 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 1.06 0.00 0.00 1.19 0.00 0.00 130 K 9.15 4.84 0.00 1.85 1.65 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.50 7.81 131 I 8.42 4.64 1.88 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 1.37 1.00 0.92 0.00 0.00 132 I 8.29 4.45 1.88 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 1.24 1.25 0.91 0.00 0.00 133 L 8.53 3.91 0.00 1.70 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.