NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.6484 8.4293 117.3694 54.2990 30.4187 174.0883 4 M 4.3294 7.3339 117.0487 52.1496 34.6050 174.8507 5 K 3.8062 9.0726 120.0997 60.2021 32.8031 179.3031 6 H 4.0958 8.0239 115.7518 59.1639 28.4293 177.8250 7 T 3.9060 7.7563 117.1361 66.5478 68.3762 176.5702 8 E 3.9384 7.9408 120.4463 59.3374 29.2348 178.9415 9 L 3.8533 8.1003 119.3180 58.0649 41.6403 179.6575 10 R 3.8972 7.8739 116.7478 59.3973 30.0329 178.9622 11 A 3.8839 7.7137 120.1729 55.1759 18.3916 179.2855 12 A 3.7718 8.0163 119.2028 55.3930 18.2670 180.1730 13 V 3.4051 7.4448 116.1848 66.0567 31.7238 178.0288 14 L 3.7824 8.4258 119.1711 58.1018 41.4796 179.4458 15 D 4.1947 8.8529 119.4181 57.1958 40.8639 178.6466 16 A 3.9397 7.8279 121.2061 55.2055 18.3777 179.7204 17 L 3.9523 7.9906 117.6500 57.8975 41.4467 179.3752 18 E 4.0132 7.7121 120.7180 59.3845 29.5852 178.9923 19 K 4.0418 7.8457 123.3255 60.1076 31.7470 180.9980 20 H 4.8277 7.9441 117.9493 57.8923 30.1561 175.1140 21 D 4.4734 8.3434 123.2214 53.2353 41.9252 175.3657 22 T 4.1916 8.8962 117.2552 63.8605 68.5310 176.3103 23 G 3.7990 7.3630 109.3279 47.4847 0.0000 174.9552 24 A 4.5762 7.7108 122.5780 50.4985 20.4862 175.6141 25 T 4.2919 8.2662 109.3363 60.4907 70.0792 174.7624 26 F 4.8823 8.7125 125.3052 56.9384 40.5087 175.1144 27 F 4.6953 9.6892 120.0052 55.9782 42.5616 174.2266 28 D 4.7933 8.8308 123.7452 52.9751 40.0466 174.7407 29 G 3.9452 8.5820 109.9825 43.4380 0.0000 171.0913 30 R 3.9120 7.8970 119.6769 54.0665 30.2150 174.3789 31 P 3.7705 0.0000 0.0000 62.5083 31.7709 176.3777 32 A 3.9213 8.1685 126.2182 54.6045 18.6956 178.0079 33 V 4.2614 6.8019 105.7965 59.6123 35.5810 174.7820 34 F 4.7180 8.2795 120.4253 55.5588 42.0409 174.0849 35 D 4.8044 7.7768 121.6455 53.5650 43.7010 177.5192 *36 E 3.8307 8.8083 122.3455 59.1297 30.4424 176.4240 37 A 4.1857 8.5868 122.1714 55.4022 18.6707 178.4488 38 D 4.5526 7.5019 113.5076 57.0560 41.0035 178.5212 39 F 4.3629 7.3342 116.5434 57.2040 39.5046 173.2538 40 P 4.4928 0.0000 0.0000 62.5298 32.3883 175.0935 41 A 5.2855 8.6736 127.7184 50.8940 22.4731 176.7080 42 V 4.9360 8.6344 118.4046 60.0411 35.6542 173.9953 43 A 5.5393 9.3881 128.9720 49.4132 22.0076 175.4478 44 V 4.9376 9.0516 122.2443 61.4040 33.9161 174.2139 45 Y 5.3199 8.5183 125.0622 56.2230 41.9447 173.2525 46 L 5.3197 8.6136 118.4434 53.4912 45.4394 176.3171 47 T 4.6326 8.7522 109.7239 60.7504 72.9399 173.6001 48 G 3.8481 8.8372 108.9597 46.6218 0.0000 173.5533 49 A 4.6514 8.3034 122.5622 51.4607 19.2007 177.4345 50 E 4.8146 9.7286 123.8112 55.1199 33.3480 175.5714 *51 Y 2.5148 6.9955 122.6572 57.1214 37.1706 175.1827 52 T 4.1651 8.4076 113.9005 60.0556 70.1323 172.8918 53 G 3.5903 7.5280 110.4142 45.0021 0.0000 173.1965 54 E 5.0905 8.2926 114.5050 54.5880 32.6903 172.2510 55 E 4.6835 9.1130 117.9705 56.0716 30.6469 176.1365 56 L 3.6553 7.7904 113.9458 55.3635 39.6763 174.8983 *58 S 4.3038 7.8332 115.7392 58.9732 64.5498 172.6854 59 D 5.4565 8.7006 124.7431 52.4006 42.0276 172.1674 60 T 4.8168 9.1402 114.9584 59.1303 71.3163 173.9747 61 W 4.9617 9.1468 123.9667 54.8446 33.5207 173.9621 62 Q 5.1437 9.0595 120.9934 55.0017 32.4475 173.3963 63 A 5.0892 9.0964 124.7857 52.2523 24.0074 174.6661 64 E 4.9232 8.8253 120.8082 54.5991 31.2797 174.6765 65 L 4.6904 9.0794 130.9500 54.9323 43.6643 175.0406 66 H 5.1223 9.6575 124.0320 53.9256 32.0840 173.3221 67 I 4.8980 8.5904 122.3749 59.7036 40.5987 173.7754 68 E 4.8419 9.2091 128.6955 54.0497 32.7691 174.6229 69 V 4.4443 8.0505 126.5474 61.2167 33.7050 174.0516 70 F 4.9827 8.7109 127.1736 56.0074 41.2482 175.1993 71 L 4.7080 8.2867 121.3751 51.7167 46.4324 176.9162 *73 A 4.7915 8.5386 124.3380 53.3486 19.1331 181.2655 74 Q 4.2484 8.6579 120.5406 56.3610 26.5283 174.7866 75 V 4.5919 7.6804 117.4117 57.3916 35.2096 174.3561 76 P 4.4017 0.0000 0.0000 62.7866 31.9764 177.0181 77 D 4.5436 8.9850 121.5821 57.9185 40.6558 179.2188 78 S 4.6842 8.2314 115.3380 60.9834 62.5854 176.2482 79 E 4.0623 8.4612 122.8314 58.9416 29.2914 178.8031 80 L 4.0445 7.8876 118.6795 57.8616 41.3386 178.5955 81 D 4.9646 9.1589 120.2808 57.0197 40.4980 178.6756 82 A 4.1072 8.5360 121.2413 55.3669 18.3010 179.6002 83 W 3.9903 8.4499 126.4807 60.6651 30.7713 177.7415 84 M 4.1559 8.8356 121.1694 59.6995 31.4721 178.7992 85 E 4.5199 9.1903 117.6288 60.1161 29.9658 179.7706 86 S 4.8965 7.6860 109.7159 58.6272 64.8151 175.4829 87 R 4.3775 8.3977 119.6401 56.1397 31.2818 176.3885 88 I 4.3427 7.4600 116.7060 62.9927 39.2805 176.8411 89 Y 4.4178 8.2098 117.7485 60.7839 37.5973 177.1556 90 P 4.2901 0.0000 0.0000 66.2123 31.4549 178.1866 91 V 3.6371 7.6500 117.7928 65.7979 31.3734 177.5431 92 M 4.0306 8.3036 120.2043 58.9407 31.8642 179.1638 93 S 4.3676 7.3532 118.2732 61.8281 62.4685 179.2774 94 D 4.6219 6.8512 117.4282 54.0322 44.8653 176.2533 95 I 4.4666 7.4002 127.7514 57.2740 38.0900 173.6948 96 P 4.3659 0.0000 0.0000 65.3612 30.8122 177.8388 97 A 3.9821 8.0154 118.7873 54.7533 18.4359 179.0220 98 L 3.9670 8.0988 118.9614 58.2688 42.1860 178.9356 99 S 4.1910 8.1141 113.6821 61.9519 62.3938 175.7169 100 D 4.5838 8.4928 120.2944 55.5473 40.6082 176.6946 101 L 4.6157 8.1750 118.5196 54.1083 42.9890 175.3774 102 I 4.7940 7.5151 111.0014 59.4292 40.5241 174.8452 103 T 4.6329 9.0995 116.2017 64.8803 70.1772 175.8299 104 S 4.7815 7.9891 113.7880 57.1992 66.8321 173.2501 105 M 5.4683 8.5963 121.1445 54.0326 35.0472 174.4415 106 V 4.7805 8.8623 124.1470 59.6505 35.5032 174.6240 107 A 3.8410 8.7779 124.0685 52.5866 18.5348 175.3820 108 S 4.4856 8.7530 113.7571 58.5022 64.4977 175.2231 109 G 4.2082 8.3690 104.0343 45.2202 0.0000 170.1578 110 Y 4.8562 8.4961 119.4108 55.7375 40.6446 172.5917 111 D 5.2456 8.7281 125.8095 52.3980 43.8913 174.8833 112 Y 4.9561 8.7680 120.4937 56.9803 39.3358 175.0989 113 R 4.8759 8.4386 125.4854 55.5059 34.2750 175.1451 114 R 4.5256 8.0486 118.1963 56.0087 33.2611 171.3094 115 D 3.5823 7.7770 119.2099 55.0392 41.0040 175.5123 116 D 4.5461 8.5290 126.7803 55.5371 40.7402 177.8687 117 D 4.3273 7.7432 117.5278 54.7034 39.4790 178.3798 118 A 4.5736 9.0533 120.0398 50.7388 19.8585 176.9739 119 G 3.9794 8.4957 105.6913 47.0910 0.0000 176.1516 120 L 4.2008 7.4231 123.1933 56.2714 41.3632 179.4341 121 W 5.7336 7.0354 113.2607 55.4351 32.0931 173.8721 122 S 5.2033 8.6900 113.7976 56.8783 66.2016 172.9894 123 S 5.5645 9.8972 116.2754 55.5057 67.3683 172.1349 124 A 4.5916 7.9302 120.0936 49.8788 21.9480 174.3539 125 D 4.7427 9.0228 123.7445 52.2252 43.7592 174.5287 126 L 4.6923 8.6271 130.2103 53.9290 43.6071 175.2278 127 T 5.0421 8.5724 116.7406 60.0290 71.9653 172.5939 128 Y 5.0128 8.8102 120.9946 56.2036 42.3094 174.5301 129 V 4.8032 8.9108 123.3845 61.6009 33.2583 174.7478 130 I 5.4464 9.2362 121.7942 59.2749 41.2029 174.3383 131 T 5.2653 8.7808 113.9273 60.5530 71.7322 172.7015 132 Y 4.9431 8.1000 121.3104 56.4971 41.8849 172.4146 133 E 5.1336 8.7016 117.6529 53.5259 32.6755 176.3631 134 M 4.1769 9.0300 123.1182 55.8566 31.9973 176.2368 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 H 8.43 4.65 0.00 2.95 3.05 0.00 7.15 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.33 4.33 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 5 K 9.07 3.81 0.00 1.86 1.77 0.00 1.94 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.48 7.81 6 H 8.02 4.10 0.00 3.13 3.24 0.00 5.69 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 7 T 7.76 3.91 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 1.19 0.00 0.00 8 E 7.94 3.94 0.00 2.05 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 2.29 2.48 0.00 9 L 8.10 3.85 0.00 1.68 1.55 0.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.87 3.90 0.00 1.87 2.00 0.00 3.42 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 11 A 7.71 3.88 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 12 A 8.02 3.77 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 13 V 7.44 3.41 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 1.07 0.00 0.00 0.90 0.00 0.00 14 L 8.43 3.78 0.00 1.73 1.57 0.94 1.43 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 15 D 8.85 4.19 0.00 2.67 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 A 7.83 3.94 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 17 L 7.99 3.95 0.00 1.60 1.71 1.10 1.14 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 18 E 7.71 4.01 0.00 1.31 1.73 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 2.31 2.42 0.00 19 K 7.85 4.04 0.00 1.90 1.73 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.33 7.81 20 H 7.94 4.83 0.00 3.19 3.49 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.34 4.47 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.90 4.19 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 1.33 0.00 0.00 23 G 7.36 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 0.00 0.00 0.00 24 A 7.71 4.58 1.09 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 25 T 8.27 4.29 4.04 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 1.19 0.00 0.00 26 F 8.71 4.88 0.00 2.93 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 27 F 9.69 4.70 0.00 3.07 3.09 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 28 D 8.83 4.79 0.00 2.70 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 29 G 8.58 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 0.00 0.00 0.00 30 R 7.90 3.91 0.00 0.67 1.28 0.00 2.28 0.00 0.00 2.92 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.36 0.00 31 P 0.00 3.77 0.00 0.49 0.49 0.00 3.26 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.15 0.00 32 A 8.17 3.92 1.11 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 33 V 6.80 4.26 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 0.74 0.00 0.00 0.80 0.00 0.00 34 F 8.28 4.72 0.00 2.79 2.25 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 35 D 7.78 4.80 0.00 2.42 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 3.83 0.00 2.04 1.84 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 2.23 1.94 0.00 37 A 8.59 4.19 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 38 D 7.50 4.55 0.00 2.47 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 39 F 7.33 4.36 0.00 2.99 2.79 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 0.00 0.00 0.00 40 P 0.00 4.49 0.00 1.77 0.84 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.02 0.00 41 A 8.67 5.29 0.96 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 42 V 8.63 4.94 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 0.73 0.00 0.00 0.93 0.00 0.00 43 A 9.39 5.54 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.05 4.94 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 1.07 0.00 0.00 1.01 0.00 0.00 45 Y 8.52 5.32 0.00 3.11 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 46 L 8.61 5.32 0.00 1.51 1.59 0.65 0.68 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 47 T 8.75 4.63 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 1.40 0.00 0.00 48 G 8.84 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 49 A 8.30 4.65 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 50 E 9.73 4.81 0.00 1.79 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 2.43 2.20 0.00 *51 Y 7.00 2.51 0.00 2.12 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 0.00 0.00 0.00 0.00 52 T 8.41 4.17 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 1.12 0.00 0.00 53 G 7.53 3.59 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 54 E 8.29 5.09 0.00 1.98 1.71 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 2.13 1.86 0.00 55 E 9.11 4.68 0.00 1.83 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 2.23 2.26 0.00 56 L 7.79 3.66 0.00 1.80 1.84 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *58 S 7.83 4.30 0.00 4.11 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 59 D 8.70 5.46 0.00 2.38 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 60 T 9.14 4.82 4.22 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 1.34 0.00 0.00 61 W 9.15 4.96 0.00 2.25 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.06 5.14 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 63 A 9.10 5.09 1.50 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 0.00 0.00 64 E 8.83 4.92 0.00 2.13 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 2.04 2.31 0.00 65 L 9.08 4.69 0.00 1.77 1.57 0.90 0.77 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 66 H 9.66 5.12 0.00 1.40 2.12 0.00 5.61 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 67 I 8.59 4.90 1.87 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 1.13 0.66 0.96 0.00 0.00 68 E 9.21 4.84 0.00 2.13 1.84 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 1.47 1.77 0.00 69 V 8.05 4.44 1.78 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 0.04 0.00 0.00 0.84 0.00 0.00 70 F 8.71 4.98 0.00 2.60 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 71 L 8.29 4.71 0.00 1.41 1.40 0.88 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 *73 A 8.54 4.79 0.98 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 0.00 0.00 74 Q 8.66 4.25 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 75 V 7.68 4.59 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 0.85 0.00 0.00 0.98 0.00 0.00 76 P 0.00 4.40 0.00 2.23 2.18 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 2.10 2.00 0.00 77 D 8.98 4.54 0.00 2.61 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 78 S 8.23 4.68 0.00 4.10 4.19 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 79 E 8.46 4.06 0.00 2.14 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 2.42 2.43 0.00 80 L 7.89 4.04 0.00 2.12 1.73 1.05 0.99 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 81 D 9.16 4.96 0.00 2.97 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 82 A 8.54 4.11 1.50 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 0.00 0.00 83 W 8.45 3.99 0.00 3.60 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 84 M 8.84 4.16 0.00 2.43 2.28 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.70 0.00 85 E 9.19 4.52 0.00 2.04 1.86 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 2.26 2.19 0.00 86 S 7.69 4.90 0.00 3.94 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 87 R 8.40 4.38 0.00 1.35 1.73 0.00 2.61 0.00 0.00 2.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 88 I 7.46 4.34 1.98 0.00 0.00 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 1.88 1.11 0.87 0.00 0.00 89 Y 8.21 4.42 0.00 3.04 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 90 P 0.00 4.29 0.00 2.22 2.24 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.15 0.00 91 V 7.65 3.64 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 1.03 0.00 0.00 0.77 0.00 0.00 92 M 8.30 4.03 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.84 0.00 93 S 7.35 4.37 0.00 3.72 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 94 D 6.85 4.62 0.00 2.59 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 95 I 7.40 4.47 1.79 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 1.47 0.56 0.85 0.00 0.00 96 P 0.00 4.37 0.00 2.23 2.33 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 97 A 8.02 3.98 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 98 L 8.10 3.97 0.00 1.68 1.78 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.11 4.19 0.00 4.07 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 0.00 100 D 8.49 4.58 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.18 4.62 0.00 1.62 1.64 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.52 4.79 2.17 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 1.59 0.71 0.91 0.00 0.00 103 T 9.10 4.63 4.39 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 1.24 0.00 0.00 104 S 7.99 4.78 0.00 3.89 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 0.00 105 M 8.60 5.47 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 106 V 8.86 4.78 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 0.96 0.00 0.00 0.97 0.00 0.00 107 A 8.78 3.84 1.23 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 0.00 0.00 108 S 8.75 4.49 0.00 3.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.37 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 0.00 0.00 0.00 0.00 110 Y 8.50 4.86 0.00 3.05 2.80 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 0.00 111 D 8.73 5.25 0.00 2.55 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 0.00 112 Y 8.77 4.96 0.00 2.84 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 0.00 113 R 8.44 4.88 0.00 1.92 2.07 0.00 3.19 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 114 R 8.05 4.53 0.00 1.54 1.64 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.00 115 D 7.78 3.58 0.00 1.58 1.93 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 0.00 116 D 8.53 4.55 0.00 2.75 2.68 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 0.00 117 D 7.74 4.33 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.05 4.57 1.25 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 0.00 0.00 119 G 8.50 3.98 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 0.00 0.00 0.00 120 L 7.42 4.20 0.00 1.78 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.04 5.73 0.00 3.25 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.69 5.20 0.00 3.89 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 0.00 123 S 9.90 5.56 0.00 3.24 3.47 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 0.00 0.00 0.00 0.00 124 A 7.93 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.02 4.74 0.00 2.50 2.46 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 0.00 126 L 8.63 4.69 0.00 1.54 1.51 0.93 0.35 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 0.00 127 T 8.57 5.04 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 0.94 0.00 0.00 128 Y 8.81 5.01 0.00 2.87 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 0.00 129 V 8.91 4.80 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 1.04 0.00 0.00 0.96 0.00 0.00 130 I 9.24 5.45 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.96 0.00 0.00 131 T 8.78 5.27 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 1.26 0.00 0.00 132 Y 8.10 4.94 0.00 3.17 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 0.00 133 E 8.70 5.13 0.00 1.89 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 2.24 2.21 0.00 134 M 9.03 4.18 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.