NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5109 8.1127 121.1288 56.3043 31.9551 173.4293 3 V 4.5556 9.0027 127.2279 60.1597 34.0995 172.3750 4 L 4.8472 9.1103 131.2326 53.8041 44.0761 174.5020 5 V 4.7491 8.9359 127.8410 61.2100 33.7416 174.6877 6 V 4.8691 9.2395 128.2574 60.2146 33.5542 174.3464 7 E 4.8434 8.9000 126.7292 55.0744 32.6735 175.4208 8 D 4.4212 8.9292 126.3784 56.4112 42.0188 176.0613 9 N 4.4867 9.1814 118.5143 52.6144 39.3846 174.7878 10 A 3.8148 8.6882 130.9514 55.4928 18.3390 178.8019 11 L 3.7952 7.8139 117.8851 58.0480 42.2875 178.7208 12 L 3.9383 9.2983 121.5109 58.1703 42.0829 178.7447 13 R 3.9263 8.1207 118.7882 59.9118 29.9638 178.2531 14 H 4.3407 8.2399 115.8010 59.0755 28.7322 177.2186 15 H 4.2636 8.3255 118.1594 59.0959 28.6190 177.5174 16 L 4.0186 8.4732 120.7438 57.9526 41.4818 179.6790 17 K 4.0022 8.0903 119.5788 59.3741 32.0250 179.2029 18 V 3.8345 8.0416 119.5834 64.5670 31.4269 178.1545 19 Q 3.9436 8.2719 120.2878 59.2085 29.0437 178.5358 20 I 3.7991 7.8710 120.7422 64.2951 37.0517 178.4578 21 Q 4.5951 8.2348 120.5050 58.6990 28.3626 178.5731 22 D 4.4157 8.3328 118.5125 56.4798 40.8651 177.5510 23 A 4.4713 7.3828 119.8917 51.9385 18.8166 177.8284 24 G 3.8435 8.2122 106.6379 45.5963 0.0000 173.4648 25 H 4.8915 7.9526 116.3455 54.3332 31.6531 173.9885 26 Q 4.7043 8.4398 118.7871 55.0079 30.6342 175.0246 27 V 4.8479 8.1685 122.0542 61.2619 34.6526 174.0859 28 D 4.5335 8.8413 128.1007 52.8190 42.5598 174.9577 29 D 5.3955 8.2833 122.5769 51.5166 41.4418 175.1295 30 A 5.3408 9.5355 125.9114 50.1606 21.7782 176.5391 31 E 4.7018 10.2097 117.4763 55.9837 30.9051 175.6620 32 D 4.6563 7.6273 118.5792 51.0988 43.4665 175.6210 33 A 3.9839 8.5561 120.8203 55.4127 18.2842 179.7314 34 K 3.9887 10.1007 118.5349 59.6004 32.2609 178.6734 35 E 4.0466 9.3043 119.9331 59.0054 29.4404 178.6737 36 A 4.3338 8.3411 121.1416 55.4699 18.5362 179.2823 37 D 4.5318 8.8222 117.7899 57.6897 40.8702 178.3669 38 Y 3.9203 8.0202 120.0901 60.9692 38.9987 177.6077 39 Y 3.9459 8.1635 117.4813 60.8278 37.8153 178.4356 40 L 3.7666 8.0551 120.6003 58.4819 42.2050 178.7386 41 N 4.3441 7.7073 114.6578 55.9326 38.4273 176.9404 42 E 4.0344 7.7359 122.6799 58.2007 29.9556 176.7219 *43 H 4.7419 7.4021 114.2458 51.9971 30.8432 175.4558 44 I 3.7578 8.3906 126.3267 59.9262 37.0559 174.4849 45 P 4.5418 0.0000 0.0000 62.5806 32.0935 175.8712 46 D 4.6395 8.8295 118.9095 56.3206 41.6105 176.8825 47 I 4.7845 7.4660 116.7627 59.5853 41.7066 173.1397 48 A 5.3028 9.1157 129.2114 50.2376 22.6036 174.8912 49 I 4.7699 9.1714 122.8008 59.6314 39.6950 174.9175 50 V 4.6777 8.7770 127.9125 60.8936 33.9052 174.2101 51 D 4.9762 9.2082 128.7769 54.3347 41.4539 176.2295 52 L 4.0588 8.8573 124.7783 56.4782 42.9490 177.5900 53 G 3.8347 7.9819 109.6800 44.1143 0.0000 172.7204 54 L 4.6444 7.3225 121.5074 52.7968 43.9341 176.6347 55 P 4.2328 0.0000 0.0000 65.3448 31.6126 177.0889 56 D 4.3657 7.1298 116.1258 55.6542 41.4375 175.3652 57 E 4.5871 7.5620 116.2275 53.5906 32.8785 175.1521 58 D 4.5287 8.6862 125.0629 54.5899 43.1672 177.5447 59 G 3.5668 8.7793 112.3940 47.8190 0.0000 176.1143 60 L 3.9167 7.6840 120.9353 57.7793 41.7054 179.5869 61 S 4.0636 8.1823 114.4549 61.5330 62.7041 176.4030 62 L 3.6974 7.7565 122.6112 58.1815 41.7066 179.0462 63 I 3.4924 7.8085 119.9474 64.4013 36.9615 178.6310 64 R 3.9099 8.3464 119.2206 59.1860 29.6614 179.2028 65 R 3.8996 7.7635 117.2297 59.2544 30.4747 178.0597 66 W 4.6457 8.3099 118.9267 60.2188 29.0058 178.7993 67 R 4.2310 8.5114 118.3210 59.1550 29.3451 178.8570 68 S 4.3755 8.3294 112.1912 59.9284 63.4822 174.9824 69 N 4.8880 7.9585 120.2943 52.3286 38.7976 174.1969 70 D 4.3177 8.2108 117.7344 54.9758 40.3309 173.6424 71 V 3.6845 7.4020 116.4807 62.5266 31.2665 175.5793 72 S 4.7342 8.4806 120.8901 57.6779 63.4754 174.0379 73 L 4.3122 7.6473 120.9786 55.1603 41.4115 174.9753 74 P 4.7359 0.0000 0.0000 62.8978 32.8119 175.3891 75 I 5.0320 9.0237 124.1385 59.4233 40.8647 173.9586 76 L 5.0719 8.9366 129.3323 53.2920 44.3490 175.1028 77 V 4.7446 8.8008 126.8685 61.7249 33.7485 174.2519 78 L 5.1822 8.8338 127.3270 53.4649 44.2371 175.4264 79 T 4.9365 8.6940 116.7671 60.7661 70.7229 174.5381 80 A 3.9899 8.8514 131.4411 55.1785 18.8001 178.7516 81 R 4.0184 7.5820 114.5814 56.6482 30.2983 176.6536 82 E 4.5495 8.4758 117.3118 54.7554 31.8422 175.9534 83 S 4.3312 7.9248 115.7428 58.2319 65.0021 174.9317 84 W 4.2665 8.4607 119.7925 59.7230 27.8973 178.5244 85 Q 3.4776 6.7868 118.5166 58.4293 28.0848 177.8864 86 D 4.2344 7.6735 119.8652 57.4166 40.9229 179.1063 87 K 3.5862 7.6827 118.3755 59.2847 31.9043 179.5510 88 V 3.6690 7.9314 118.4162 65.9192 31.4995 177.5542 89 E 3.8733 8.4353 119.3813 59.2948 29.3561 178.6951 90 V 3.5666 8.1024 118.4858 66.3092 31.6447 177.9267 91 L 4.3841 8.0185 119.7544 57.4174 41.2481 179.5008 92 S 4.2277 8.2598 112.0908 60.7034 62.4337 175.4085 93 A 4.2528 7.7587 122.2006 52.6337 18.4178 176.9900 94 G 3.5870 7.3770 103.9210 45.0726 0.0000 174.5540 95 A 4.2644 7.9535 124.6049 52.3211 18.9963 177.9010 96 D 4.5852 8.3766 120.0637 56.1569 42.1156 175.8684 97 D 4.3831 7.7629 116.1640 53.9342 44.6346 173.5955 98 Y 5.5712 7.4075 118.2683 55.4731 41.2752 174.4417 99 V 4.7184 9.2500 121.0604 60.1419 34.2977 174.9084 100 T 4.8255 8.7893 114.3814 61.3446 70.0543 174.0753 101 K 4.8902 8.6140 123.3964 54.3009 33.8590 175.0338 102 P 4.2557 0.0000 0.0000 62.5329 32.1000 175.5906 103 F 5.0390 7.4100 116.5254 55.7441 41.3543 174.8389 *104 H 4.6300 8.6481 118.2709 54.0038 29.0631 177.5628 105 I 3.9843 8.6134 124.7934 64.3522 38.1463 178.6397 106 E 4.1970 8.1859 115.1945 58.2430 30.1438 181.2374 107 E 4.1292 8.1775 118.2692 59.7830 29.7607 179.4675 108 V 3.5682 7.0223 114.4781 63.1006 31.0563 176.5647 *110 A 4.3896 8.1712 122.6045 51.9299 20.2745 180.8111 111 R 3.7120 7.7996 111.2930 57.2750 29.5611 178.6960 *113 Q 4.1694 8.2054 118.2993 56.0094 30.8232 176.6940 114 A 4.1334 7.9071 120.5619 55.2384 18.6862 179.5003 115 L 4.0829 7.7898 115.2982 55.2591 41.2497 179.3849 *117 R 4.1442 8.1582 119.5468 56.5237 31.6253 176.3306 118 R 3.9814 7.7983 116.1565 59.5563 30.2594 176.7989 119 N 4.3712 8.5122 115.6742 56.4850 39.0139 174.6368 120 S 4.3668 7.9079 114.9717 58.3834 63.4451 173.6498 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 R 8.11 4.51 0.00 1.91 1.88 0.00 3.09 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 3 V 9.00 4.56 2.05 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 0.90 0.00 0.00 0.85 0.00 0.00 4 L 9.11 4.85 0.00 1.80 1.58 1.03 0.90 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 5 V 8.94 4.75 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 0.95 0.00 0.00 0.93 0.00 0.00 6 V 9.24 4.87 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 0.85 0.00 0.00 0.96 0.00 0.00 7 E 8.90 4.84 0.00 2.13 1.80 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 2.26 2.49 0.00 8 D 8.93 4.42 0.00 2.66 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 9 N 9.18 4.49 0.00 2.73 2.84 0.00 0.00 6.95 7.70 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 10 A 8.69 3.81 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 11 L 7.81 3.80 0.00 1.71 1.74 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.30 3.94 0.00 1.87 1.76 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.12 3.93 0.00 1.97 1.97 0.00 3.11 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 14 H 8.24 4.34 0.00 3.33 3.30 0.00 5.69 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 15 H 8.33 4.26 0.00 3.40 3.39 0.00 5.65 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 16 L 8.47 4.02 0.00 1.81 1.76 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.09 4.00 0.00 1.86 1.99 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 18 V 8.04 3.83 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 0.94 0.00 0.00 0.95 0.00 0.00 19 Q 8.27 3.94 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 20 I 7.87 3.80 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.91 0.00 0.00 21 Q 8.23 4.60 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 22 D 8.33 4.42 0.00 2.85 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 23 A 7.38 4.47 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 24 G 8.21 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.95 4.89 0.00 3.32 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.44 4.70 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 27 V 8.17 4.85 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 0.81 0.00 0.00 0.93 0.00 0.00 28 D 8.84 4.53 0.00 2.30 1.54 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 29 D 8.28 5.40 0.00 2.64 2.60 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 30 A 9.54 5.34 1.45 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 0.00 0.00 0.00 31 E 10.21 4.70 0.00 2.06 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 0.00 2.49 2.21 0.00 32 D 7.63 4.66 0.00 3.00 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 33 A 8.56 3.98 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 34 K 10.10 3.99 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 35 E 9.30 4.05 0.00 2.18 2.19 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 2.56 2.29 0.00 36 A 8.34 4.33 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 0.00 0.00 0.00 0.00 0.00 37 D 8.82 4.53 0.00 3.05 2.85 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 38 Y 8.02 3.92 0.00 3.05 2.96 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 39 Y 8.16 3.95 0.00 3.23 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 40 L 8.06 3.77 0.00 1.21 1.55 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.71 4.34 0.00 2.58 2.74 0.00 0.00 7.08 7.82 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 42 E 7.74 4.03 0.00 1.45 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 2.08 2.25 0.00 *43 H 7.40 4.74 0.00 2.96 2.79 0.00 7.27 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.39 3.76 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.84 0.00 0.00 45 P 0.00 4.54 0.00 2.35 2.03 0.00 3.61 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 1.91 1.94 0.00 46 D 8.83 4.64 0.00 2.64 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 47 I 7.47 4.78 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.88 0.00 0.00 48 A 9.12 5.30 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 49 I 9.17 4.77 1.88 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 1.09 0.88 0.93 0.00 0.00 50 V 8.78 4.68 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 0.75 0.00 0.00 0.91 0.00 0.00 51 D 9.21 4.98 0.00 2.90 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 52 L 8.86 4.06 0.00 1.65 1.66 0.89 0.66 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 53 G 7.98 3.83 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 0.00 0.00 0.00 54 L 7.32 4.64 0.00 1.93 1.57 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.23 0.00 2.17 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 56 D 7.13 4.37 0.00 2.73 2.69 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 57 E 7.56 4.59 0.00 1.90 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 2.10 2.22 0.00 58 D 8.69 4.53 0.00 2.79 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 59 G 8.78 3.57 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 0.00 0.00 0.00 60 L 7.68 3.92 0.00 2.03 1.68 0.89 0.80 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 61 S 8.18 4.06 0.00 4.00 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 62 L 7.76 3.70 0.00 1.49 1.53 0.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.81 3.49 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 1.00 0.00 0.00 64 R 8.35 3.91 0.00 1.97 1.98 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 65 R 7.76 3.90 0.00 1.92 2.14 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 66 W 8.31 4.65 0.00 3.56 3.15 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 67 R 8.51 4.23 0.00 1.99 2.03 0.00 3.36 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 68 S 8.33 4.38 0.00 4.05 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 69 N 7.96 4.89 0.00 3.03 2.84 0.00 0.00 6.52 8.12 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 70 D 8.21 4.32 0.00 2.75 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 71 V 7.40 3.68 2.19 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 0.67 0.00 0.00 0.74 0.00 0.00 72 S 8.48 4.73 0.00 3.99 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 73 L 7.65 4.31 0.00 1.81 1.69 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.74 0.00 2.10 2.01 0.00 3.74 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 2.11 2.12 0.00 75 I 9.02 5.03 1.94 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.96 0.00 0.00 76 L 8.94 5.07 0.00 1.70 1.47 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.80 4.74 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 0.95 0.00 0.00 0.95 0.00 0.00 78 L 8.83 5.18 0.00 1.65 1.70 1.02 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.69 4.94 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 1.25 0.00 0.00 80 A 8.85 3.99 1.28 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 81 R 7.58 4.02 0.00 1.78 2.08 0.00 3.06 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 82 E 8.48 4.55 0.00 1.99 1.94 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 2.36 2.26 0.00 83 S 7.92 4.33 0.00 3.86 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 84 W 8.46 4.27 0.00 3.61 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 0.00 85 Q 6.79 3.48 0.00 1.63 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 86 D 7.67 4.23 0.00 2.75 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 87 K 7.68 3.59 0.00 1.93 1.58 0.00 1.65 0.00 0.00 1.37 0.00 0.00 2.71 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.42 1.30 7.81 88 V 7.93 3.67 2.30 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 1.18 0.00 0.00 1.26 0.00 0.00 89 E 8.44 3.87 0.00 2.04 2.03 0.00 0.00 0.00 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 2.29 0.00 90 V 8.10 3.57 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 1.06 0.00 0.00 0.93 0.00 0.00 91 L 8.02 4.38 0.00 1.98 1.79 1.12 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.26 4.23 0.00 3.91 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 93 A 7.76 4.25 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 94 G 7.38 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 95 A 7.95 4.26 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 96 D 8.38 4.59 0.00 2.78 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 97 D 7.76 4.38 0.00 2.62 2.34 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 98 Y 7.41 5.57 0.00 2.96 2.93 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 99 V 9.25 4.72 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 0.50 0.00 0.00 0.67 0.00 0.00 100 T 8.79 4.83 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 1.26 0.00 0.00 101 K 8.61 4.89 0.00 1.69 1.70 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.68 7.81 102 P 0.00 4.26 0.00 2.09 1.95 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 103 F 7.41 5.04 0.00 3.09 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 *104 H 8.65 4.63 0.00 2.86 2.98 0.00 7.19 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.61 3.98 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.25 0.95 0.00 0.00 106 E 8.19 4.20 0.00 2.03 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 2.23 1.87 0.00 107 E 8.18 4.13 0.00 2.08 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 2.27 2.25 0.00 108 V 7.02 3.57 1.94 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 0.65 0.00 0.00 0.21 0.00 0.00 *110 A 8.17 4.39 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 0.00 111 R 7.80 3.71 0.00 1.97 1.86 0.00 3.14 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 *113 Q 8.21 4.17 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 114 A 7.91 4.13 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 0.00 115 L 7.79 4.08 0.00 1.72 1.67 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *117 R 8.16 4.14 0.00 1.89 2.12 0.00 3.24 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 118 R 7.80 3.98 0.00 1.81 2.08 0.00 3.38 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 119 N 8.51 4.37 0.00 2.76 2.86 0.00 0.00 7.34 7.51 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 0.00 120 S 7.91 4.37 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.