NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4713 8.1933 115.4060 57.8530 64.5662 174.5973 3 S 4.1629 8.4405 119.3591 60.1743 62.5915 174.8807 4 K 2.0000 8.4611 123.2180 59.1235 32.0282 177.7054 5 E 3.7665 7.8855 118.2502 59.6112 28.9895 179.5554 6 E 3.8657 7.9140 118.1253 59.5559 29.5797 179.5968 7 I 3.1257 7.2413 119.7228 63.9486 36.9299 178.2794 8 L 3.7041 7.9594 121.5652 58.0018 41.8441 178.9605 9 S 3.9900 8.0077 113.3370 61.2783 62.2777 176.3010 10 I 3.8974 7.5399 122.1387 64.4450 36.9047 178.4395 11 L 4.0300 7.9906 119.8491 57.7436 41.1260 179.3982 12 E 3.8307 8.1408 117.8953 59.2176 29.3926 178.9472 13 A 4.0006 7.4418 119.7067 54.8209 18.5062 178.9905 14 F 3.0276 7.2225 118.0212 60.4128 40.4719 176.6120 15 A 3.9326 7.4749 120.5613 50.2018 16.4711 177.1032 16 S 4.5299 6.4318 116.6069 56.0322 66.7473 175.1161 17 T 3.7863 8.3907 112.8579 64.6364 68.7854 175.4318 18 E 4.0536 7.9949 120.3124 57.9277 30.7869 177.4341 19 R 4.3689 7.3727 119.7261 54.7816 29.5050 176.8782 *21 G 3.9032 7.7078 109.5312 45.4726 0.0000 173.0844 22 S 4.7225 7.7691 113.4497 58.2303 63.2419 175.7500 23 F 3.8884 7.6498 124.4630 61.4896 39.3095 177.0460 24 F 4.1644 7.7345 116.5922 60.3160 38.3785 177.3506 25 L 4.0378 7.6106 118.0221 57.4545 41.5995 177.8968 26 D 4.5804 7.7443 116.0017 54.8278 41.9951 176.6859 27 N 4.6474 7.8150 113.9442 52.4396 40.3653 173.9988 28 A 4.9026 7.3098 120.8895 50.2275 20.8279 177.0574 29 T 4.1532 8.3872 110.2843 61.0784 69.6141 175.7248 30 A 4.0127 8.6641 125.7937 55.0163 18.4784 178.2463 31 D 4.8277 7.9869 112.5584 53.0198 39.8953 176.1743 32 F 4.7193 7.8403 122.4970 58.6297 39.7063 174.3767 33 L 4.2748 6.9477 123.3602 52.5036 45.9414 175.3527 34 F 3.8381 8.3023 124.1831 56.3660 41.5093 174.4913 35 I 4.2953 6.9815 127.5291 59.6136 38.4181 176.1692 36 R 4.3487 8.3585 126.6251 54.9745 30.7278 176.2489 37 P 4.5541 0.0000 0.0000 65.7664 31.3203 178.4694 38 S 4.1310 7.9370 111.4546 59.7511 63.0211 175.2145 39 G 3.9386 8.4796 109.8839 45.0401 0.0000 173.2142 40 N 4.5913 8.0323 118.9212 51.8511 39.2407 173.1840 41 P 4.8101 0.0000 0.0000 62.3989 32.6050 175.5416 42 L 4.7980 8.7478 119.9340 52.5836 44.9668 176.7891 43 D 4.8507 8.4253 122.4178 52.2221 42.6080 177.0627 44 A 4.2522 8.6353 120.0762 55.4709 18.1423 179.6585 45 K 4.1300 8.2888 117.7910 59.5293 32.2063 179.0440 46 G 3.7274 8.7655 105.5758 47.8546 0.0000 175.0834 47 F 4.2785 8.5481 122.3590 61.1301 39.8346 176.5689 48 E 4.8213 8.5271 120.3611 58.6400 28.7814 179.2420 49 N 4.8280 8.4663 117.3920 52.8583 38.4726 176.6672 *51 W 4.7330 8.0532 120.5508 56.3327 31.1028 176.6375 52 S 4.4590 7.7591 111.4936 59.5278 63.2200 175.4797 53 S 4.1747 7.3133 114.8356 62.1528 62.7335 174.2589 54 G 4.2776 8.4576 106.3231 46.1288 0.0000 174.4072 55 D 4.4922 8.0945 118.2707 55.4912 42.2016 175.8158 56 L 5.2820 7.9682 120.3911 53.2138 44.0598 175.6204 57 V 4.6850 9.0301 126.4426 61.0150 34.6906 173.9033 58 L 4.7115 8.8129 130.1499 54.9539 42.1298 175.8267 59 E 4.5610 9.2766 126.5853 58.4303 30.8115 176.6441 60 S 4.7271 7.8217 110.7428 57.5625 66.1236 173.8590 61 A 5.2262 8.2709 122.1132 50.8409 22.1339 175.2805 62 E 4.5754 9.1758 118.4071 54.8405 33.7511 175.0471 63 I 4.4908 8.2718 122.5470 61.1362 35.8743 175.8259 64 T 4.1880 8.6479 123.9371 66.0899 69.0958 175.0798 65 K 4.3681 7.7377 120.8169 55.2135 35.8318 174.2354 66 V 4.3791 8.2702 127.6335 62.4092 31.7666 174.9761 67 H 4.6416 8.9139 125.6040 57.0087 30.0525 175.7634 68 K 4.6916 7.7512 118.7901 55.0080 35.6960 174.6108 69 F 5.2883 8.6680 128.8172 56.6205 42.5103 173.1140 70 E 4.3683 7.6711 122.0156 54.7250 32.9989 174.6363 71 L 4.3500 8.2979 121.8305 55.1199 42.2136 177.2163 72 L 4.4312 8.9879 123.4460 53.3167 42.4131 177.9759 73 G 4.0736 8.2859 112.5474 44.6291 0.0000 170.8165 74 S 4.4505 8.6260 113.1909 60.4989 63.3398 174.8233 75 N 4.9310 8.1917 115.4786 52.4656 40.5386 173.5103 76 A 5.6577 8.1197 120.8021 51.3324 23.5035 175.3902 77 A 4.8012 9.0668 118.7578 51.2076 23.3741 175.2280 78 I 4.9566 8.2573 119.7073 59.3549 41.2407 174.0884 79 C 5.3893 9.3957 128.5307 57.8748 34.9612 172.3989 80 V 5.0344 9.0097 126.8825 61.2175 33.5891 174.3594 81 F 5.1885 8.6083 121.4088 56.0690 42.2365 172.8756 82 T 4.9209 8.8188 116.9060 62.1821 70.3085 173.6126 83 L 5.0642 8.7211 128.8093 53.5720 44.1848 175.0853 84 G 4.2976 8.9567 114.6975 44.9312 0.0000 172.4008 85 S 5.4396 9.3583 121.5631 56.6024 67.7598 173.1981 86 K 5.3218 9.0331 121.2582 54.7490 35.1079 175.4366 87 F 5.5251 8.9492 118.5103 55.8557 42.1448 173.1922 88 T 5.0728 9.2099 116.7949 62.2729 71.1150 173.3279 89 Y 5.1674 9.1133 128.9071 56.7788 42.0435 176.0561 90 K 3.7132 9.5811 131.0420 55.5753 29.4381 172.0699 91 G 4.0619 8.6506 106.8373 45.4499 0.0000 173.0718 92 T 4.6807 7.9079 109.8230 59.6235 72.0607 173.1376 93 Q 4.6319 8.6570 125.6799 55.9838 30.2388 174.5365 94 N 4.9485 8.7307 122.2007 51.5451 42.9320 173.1846 95 D 5.3266 8.5551 121.1645 53.3223 43.3889 175.4968 96 D 4.8048 9.0770 120.4944 52.4134 44.9011 174.9032 97 L 5.4897 9.0842 127.6531 52.4405 41.9674 173.1682 98 P 5.2432 0.0000 0.0000 61.9081 34.2759 176.7451 99 T 4.7810 8.6682 117.7805 62.9638 70.1380 174.1182 100 V 4.7026 8.5528 126.1344 61.2716 34.5111 174.0681 101 T 4.9224 8.5724 125.2449 62.0676 69.6845 174.2742 102 S 5.2058 9.2804 121.3925 56.5717 66.6617 173.1107 103 I 5.2281 8.7821 121.9512 59.7513 40.8466 174.4921 104 F 5.4393 9.5577 124.1190 55.8126 42.7957 174.3934 105 K 5.4628 9.3587 119.9732 54.7858 36.6717 175.4522 106 K 4.4639 8.7175 123.4543 55.5237 33.1679 176.6022 107 I 4.3494 8.5744 125.7982 60.5923 40.0501 175.2608 108 D 4.4278 9.7004 125.5182 55.4505 39.4692 173.6135 109 E 3.7343 8.3164 112.5687 56.3308 27.3966 174.4029 110 K 4.6581 7.6337 118.6660 54.0114 35.4743 175.6879 111 W 4.9795 8.8490 124.5187 56.9313 29.8620 175.7442 112 K 5.1393 9.6290 123.1142 54.3820 36.6272 175.8693 113 V 3.3529 8.4093 122.3108 61.6766 31.9805 176.4441 114 A 4.6846 9.0257 126.0041 51.9877 21.6414 175.5355 115 W 4.3510 7.7572 123.4530 56.9095 34.6951 172.4796 *117 Q 4.1275 8.3239 121.1510 55.6993 29.6171 174.0494 118 R 5.1415 8.0747 122.3218 54.3943 32.4047 175.6086 119 S 4.6431 8.3572 116.1078 57.1019 65.2664 173.5818 120 S 4.2586 8.6527 115.4651 58.6572 64.0842 174.8286 121 G 4.6920 8.4761 106.3947 45.3403 0.0000 174.1268 122 Q 5.2436 7.8192 117.8538 54.9430 29.0553 176.1976 123 S 4.3873 8.1106 112.8795 58.7181 64.4603 173.2217 124 D 4.7706 8.4634 120.4797 52.8354 43.2289 176.6224 *126 T 4.4171 8.1392 109.1435 61.2994 70.2665 174.7047 127 L 4.1323 7.7678 120.7184 55.5503 42.1114 176.8652 128 W 4.4560 8.0180 123.3601 56.8123 29.1736 176.0105 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 S 8.19 4.47 0.00 3.96 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 3 S 8.44 4.16 0.00 4.11 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 4 K 8.46 2.00 0.00 0.90 1.30 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.00 0.43 7.81 5 E 7.89 3.77 0.00 2.19 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 0.00 2.34 2.25 0.00 6 E 7.91 3.87 0.00 1.95 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 2.36 2.55 0.00 7 I 7.24 3.13 1.49 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.36 -0.10 0.00 0.00 8 L 7.96 3.70 0.00 1.45 1.59 0.92 0.87 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 9 S 8.01 3.99 0.00 3.93 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 10 I 7.54 3.90 2.11 0.00 0.00 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 1.74 0.84 1.42 0.00 0.00 11 L 7.99 4.03 0.00 1.59 1.35 0.60 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.14 3.83 0.00 2.01 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 2.24 2.33 0.00 13 A 7.44 4.00 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 14 F 7.22 3.03 0.00 1.96 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 15 A 7.47 3.93 1.18 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 0.00 0.00 16 S 6.43 4.53 0.00 3.79 3.79 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 17 T 8.39 3.79 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 1.17 0.00 0.00 18 E 7.99 4.05 0.00 1.90 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 2.26 2.34 0.00 19 R 7.37 4.37 0.00 1.94 2.00 0.00 3.15 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 *21 G 7.71 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 22 S 7.77 4.72 0.00 3.90 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 23 F 7.65 3.89 0.00 3.32 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 24 F 7.73 4.16 0.00 3.03 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 25 L 7.61 4.04 0.00 1.81 1.75 1.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.74 4.58 0.00 2.34 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 27 N 7.82 4.65 0.00 1.72 2.50 0.00 0.00 6.66 7.80 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 28 A 7.31 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.39 4.15 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 1.34 0.00 0.00 30 A 8.66 4.01 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 31 D 7.99 4.83 0.00 2.87 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 32 F 7.84 4.72 0.00 3.02 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 33 L 6.95 4.27 0.00 0.31 0.87 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.30 3.84 0.00 2.71 2.87 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 35 I 6.98 4.30 1.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.01 0.79 0.00 0.00 36 R 8.36 4.35 0.00 2.03 1.90 0.00 3.18 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 37 P 0.00 4.55 0.00 2.04 2.20 0.00 3.71 0.00 0.00 3.75 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 38 S 7.94 4.13 0.00 3.97 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 39 G 8.48 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 0.00 0.00 0.00 40 N 8.03 4.59 0.00 2.79 2.76 0.00 0.00 6.63 8.02 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 41 P 0.00 4.81 0.00 2.11 1.97 0.00 3.70 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 1.98 1.99 0.00 42 L 8.75 4.80 0.00 1.88 1.72 1.06 0.93 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 43 D 8.43 4.85 0.00 3.02 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 44 A 8.64 4.25 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 45 K 8.29 4.13 0.00 1.95 2.01 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.62 7.81 46 G 8.77 3.73 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 0.00 0.00 0.00 47 F 8.55 4.28 0.00 3.21 3.53 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 48 E 8.53 4.82 0.00 2.43 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 0.00 2.41 2.43 0.00 49 N 8.47 4.83 0.00 2.95 2.82 0.00 0.00 6.95 8.44 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 *51 W 8.05 4.73 0.00 3.23 3.22 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 52 S 7.76 4.46 0.00 4.03 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 53 S 7.31 4.17 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.46 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 0.00 0.00 0.00 0.00 55 D 8.09 4.49 0.00 2.58 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 56 L 7.97 5.28 0.00 1.67 1.43 0.78 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 57 V 9.03 4.69 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 1.05 0.00 0.00 1.03 0.00 0.00 58 L 8.81 4.71 0.00 1.18 1.31 0.98 0.47 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 59 E 9.28 4.56 0.00 2.01 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 2.39 2.43 0.00 60 S 7.82 4.73 0.00 3.84 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 61 A 8.27 5.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 4.58 0.00 1.96 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 2.38 2.30 0.00 63 I 8.27 4.49 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.71 0.00 0.00 64 T 8.65 4.19 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 1.23 0.00 0.00 65 K 7.74 4.37 0.00 1.76 1.37 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.18 7.81 66 V 8.27 4.38 2.02 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 0.94 0.00 0.00 0.85 0.00 0.00 67 H 8.91 4.64 0.00 2.68 2.95 0.00 5.71 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.75 4.69 0.00 1.86 1.65 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 69 F 8.67 5.29 0.00 3.02 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 70 E 7.67 4.37 0.00 1.92 1.85 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 2.04 2.12 0.00 71 L 8.30 4.35 0.00 1.58 1.98 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.99 4.43 0.00 1.55 1.58 0.93 1.14 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 73 G 8.29 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 74 S 8.63 4.45 0.00 3.89 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 75 N 8.19 4.93 0.00 2.57 2.64 0.00 0.00 6.80 7.93 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 76 A 8.12 5.66 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 77 A 9.07 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.26 4.96 1.88 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 1.15 1.71 0.82 0.00 0.00 79 C 9.40 5.39 0.00 3.22 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 80 V 9.01 5.03 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 1.08 0.00 0.00 1.01 0.00 0.00 81 F 8.61 5.19 0.00 3.13 3.01 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 82 T 8.82 4.92 4.25 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 1.30 0.00 0.00 83 L 8.72 5.06 0.00 2.20 1.72 1.20 1.04 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 84 G 8.96 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.36 5.44 0.00 3.92 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 86 K 9.03 5.32 0.00 1.71 1.69 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.38 7.81 87 F 8.95 5.53 0.00 3.39 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 88 T 9.21 5.07 4.35 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 1.25 0.00 0.00 89 Y 9.11 5.17 0.00 3.27 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 90 K 9.58 3.71 0.00 1.89 1.66 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.24 7.81 91 G 8.65 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 92 T 7.91 4.68 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 1.20 0.00 0.00 93 Q 8.66 4.63 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 94 N 8.73 4.95 0.00 1.44 2.15 0.00 0.00 6.83 7.66 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 95 D 8.56 5.33 0.00 2.57 2.62 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 0.00 96 D 9.08 4.80 0.00 3.22 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 97 L 9.08 5.49 0.00 1.80 1.64 1.00 0.85 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 98 P 0.00 5.24 0.00 2.20 2.37 0.00 4.32 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 99 T 8.67 4.78 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 1.42 0.00 0.00 100 V 8.55 4.70 0.67 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 0.79 0.00 0.00 0.80 0.00 0.00 101 T 8.57 4.92 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 1.29 0.00 0.00 102 S 9.28 5.21 0.00 3.97 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 0.00 103 I 8.78 5.23 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 1.08 0.00 0.00 104 F 9.56 5.44 0.00 3.01 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 0.00 105 K 9.36 5.46 0.00 1.78 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 106 K 8.72 4.46 0.00 1.19 1.35 0.00 1.31 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.40 0.21 7.81 107 I 8.57 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 1.21 1.16 0.91 0.00 0.00 108 D 9.70 4.43 0.00 2.69 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 0.00 109 E 8.32 3.73 0.00 2.12 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 2.11 2.26 0.00 110 K 7.63 4.66 0.00 1.77 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.50 7.81 111 W 8.85 4.98 0.00 3.28 3.26 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 0.00 112 K 9.63 5.14 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.60 7.81 113 V 8.41 3.35 1.76 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 0.59 0.00 0.00 0.63 0.00 0.00 114 A 9.03 4.68 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 0.00 115 W 7.76 4.35 0.00 3.37 2.91 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 *117 Q 8.32 4.13 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 118 R 8.07 5.14 0.00 1.84 1.80 0.00 3.48 0.00 0.00 3.61 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.45 0.00 119 S 8.36 4.64 0.00 3.93 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 0.00 120 S 8.65 4.26 0.00 3.83 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 0.00 121 G 8.48 4.69 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 0.00 122 Q 7.82 5.24 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 123 S 8.11 4.39 0.00 3.96 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 0.00 124 D 8.46 4.77 0.00 2.69 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 *126 T 8.14 4.42 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 1.25 0.00 0.00 127 L 7.77 4.13 0.00 1.38 1.45 0.77 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 128 W 8.02 4.46 0.00 3.29 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.