NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2113 8.1844 122.4668 54.3186 44.0221 176.1990 5 S 4.5344 7.6641 111.7033 53.5410 65.5662 171.1495 6 P 4.5218 0.0000 0.0000 62.6118 32.9032 175.6004 7 V 4.2539 7.9935 117.6530 60.2992 33.5715 172.6328 8 A 3.9973 8.7009 125.0028 52.8483 18.6282 177.5939 9 L 4.2914 8.2866 121.4478 55.0017 42.7969 176.3213 10 R 4.6312 8.3106 118.9346 54.5688 34.6734 174.2071 11 Q 5.2583 8.3065 118.0651 54.6137 32.7385 174.9227 12 M 4.9842 8.7853 117.6028 53.8928 34.9946 174.4842 13 S 4.9282 8.7388 117.9460 59.1614 63.9957 172.9962 14 C 4.7046 8.9654 116.9217 57.2372 33.7750 172.1953 15 A 5.1329 8.2047 120.8166 50.3878 20.5093 175.9181 16 A 4.9618 8.7205 123.9033 50.2301 23.3977 174.3937 17 G 4.0511 8.3168 104.9478 46.7450 0.0000 174.5027 18 T 4.0494 8.8999 109.0127 63.2445 69.5500 174.3872 19 T 4.5936 7.4759 111.2407 60.2853 71.5734 174.3182 20 Q 3.8194 7.8023 121.8167 59.5407 28.7829 178.7109 21 T 3.8585 7.7240 112.4085 66.5503 68.6363 175.2362 22 A 3.9910 7.7049 123.0071 55.2829 18.3696 176.7430 23 C 4.4106 8.0189 113.2240 60.1200 26.5651 172.9745 24 T 4.1451 7.7324 114.4165 60.6809 69.7833 175.2262 25 D 4.9061 7.7134 120.8289 49.7213 43.0466 175.6088 26 D 4.4720 8.5834 119.1639 55.6000 40.6875 176.9133 27 N 5.1799 8.6236 121.4658 52.2522 38.7316 173.7679 28 A 4.6117 7.8096 118.9078 52.1360 23.0278 175.3510 29 L 5.1636 8.9068 121.4006 53.1977 45.0095 174.8967 30 A 5.3813 9.0132 128.1517 50.3696 21.7580 174.8990 31 Y 4.8551 9.2957 122.0450 57.9098 39.3907 174.5580 32 Y 5.3180 9.2200 121.4957 55.3672 42.4344 173.2546 33 N 5.3557 9.5531 120.0083 51.8700 41.2056 174.5845 34 N 5.7273 9.0668 121.4583 51.8601 37.9637 176.3639 35 S 4.2218 8.8551 115.1247 60.5302 63.0119 174.8585 36 K 4.2115 7.7181 120.9593 56.8067 34.2257 175.7570 *38 G 3.7137 7.6477 106.3039 45.2817 0.0000 171.1902 39 R 4.6800 8.2828 117.5544 54.2420 32.5112 175.5198 40 F 4.6614 9.2467 128.5129 56.5134 40.7040 174.8305 41 V 4.0452 7.6535 127.1313 62.8933 31.7074 175.0859 42 L 4.4348 9.1853 127.7050 56.2695 43.5953 176.1996 43 A 5.1953 7.8162 117.7777 50.8040 23.1519 174.5886 44 L 5.4271 9.5222 119.2184 52.9226 45.4694 175.6487 45 L 5.4291 9.1867 125.0313 53.5443 44.7075 175.1165 46 S 5.0006 9.2603 119.4035 57.5249 66.0073 174.3146 47 D 4.5770 8.7804 122.4394 56.2088 41.2577 177.0255 48 H 4.6988 7.9195 116.3729 55.2173 29.5157 174.9670 49 Q 4.8511 8.6359 119.0340 54.9756 28.5365 175.5020 50 D 4.9146 7.9277 114.8607 53.1426 40.1276 176.1078 51 L 4.2063 7.9756 119.7993 55.7169 41.7339 176.8732 52 K 4.6170 9.6862 119.5929 55.6684 35.3791 175.9383 53 W 5.3356 8.1002 117.9226 54.9906 34.3122 173.8110 54 A 4.8978 8.8187 121.4589 50.4218 22.1928 174.9396 55 R 4.2765 8.4787 123.2313 54.4024 31.9226 175.6165 56 F 4.6497 9.1723 125.0152 55.0737 42.4181 172.2837 57 P 4.8482 0.0000 0.0000 61.5464 32.0714 177.1243 58 K 4.0487 8.9585 124.3085 56.5324 32.8807 178.1567 59 S 4.1731 8.6654 115.7988 61.5613 62.4167 175.5823 60 D 4.3730 7.9650 117.8137 54.7785 39.2208 176.7363 61 G 3.8577 7.7517 106.2715 46.5197 0.0000 174.4341 62 T 4.1945 8.4035 117.5368 63.4692 69.2534 174.9688 63 G 3.9880 6.8427 107.9875 45.7842 0.0000 171.2186 64 T 5.0826 8.3325 107.9492 59.8987 72.0425 173.3008 65 I 4.7103 9.1077 124.3303 59.8322 40.2986 174.0703 66 Y 5.3661 8.9464 123.6694 56.4006 40.0581 175.0648 67 T 4.8783 8.9693 114.1810 59.7220 71.8807 173.7680 68 E 3.4231 8.6160 123.8577 56.1409 30.9504 175.4850 69 L 4.9145 7.5036 119.8229 53.1299 45.3315 176.4055 70 E 4.5698 8.8738 121.0497 54.3144 31.2691 174.6386 71 P 4.2891 0.0000 0.0000 62.6382 31.8199 174.8406 72 P 4.3044 0.0000 0.0000 62.8972 32.5590 175.0996 73 C 4.8753 8.2626 117.1462 57.8478 31.0764 173.9034 74 R 4.4162 8.8023 124.6995 56.3202 30.7764 175.2728 75 F 4.7680 8.1551 117.3390 56.1277 41.3649 172.9653 76 V 4.4935 8.3632 120.3670 61.9607 33.7555 174.7133 77 T 4.9240 8.4824 119.2488 60.7186 71.0163 172.9143 78 D 5.0383 8.9415 128.6199 54.7627 41.8020 175.3958 79 T 4.7284 7.7508 109.3129 59.4642 72.0770 172.4085 80 P 4.3784 0.0000 0.0000 64.6890 31.7442 177.1016 81 K 4.4400 7.6764 118.4600 53.8491 30.4904 175.7100 82 G 4.1218 7.9879 108.1421 44.7005 0.0000 169.4795 83 P 4.7307 0.0000 0.0000 62.9733 32.1299 175.6254 84 K 4.7151 8.5571 117.7361 55.3080 37.0246 175.2981 85 V 4.4167 8.0747 121.7109 60.1464 33.6372 174.8903 86 K 4.4327 7.9666 122.1092 55.2360 37.5526 174.1872 87 Y 5.2525 9.1106 117.7221 56.3540 42.0281 174.7574 88 L 5.1331 9.0209 126.0578 53.6843 44.4257 174.3795 89 Y 4.9771 9.5065 125.3348 56.3237 40.3608 175.1375 90 F 5.0740 8.6770 122.8693 56.4126 41.3725 175.3728 91 I 4.1622 8.7098 123.2582 60.6243 38.3777 175.4921 92 K 3.7436 8.0623 127.2350 58.4850 32.0545 176.7663 93 G 3.9205 8.7838 114.2460 45.4767 0.0000 172.9663 94 L 4.0906 7.6547 121.7352 54.6647 42.7846 177.2813 95 N 4.6540 8.4807 123.1020 52.4936 39.7088 175.9699 96 N 4.2941 8.4551 117.6699 55.6142 38.3480 177.5820 97 L 3.8905 7.7994 121.1960 58.1768 42.7309 178.1844 98 N 4.5089 8.9837 116.8170 56.3039 38.4195 177.4931 99 R 3.8379 7.7828 119.4841 59.3378 30.1337 179.3500 100 G 3.6235 8.2173 105.3485 48.0701 0.0000 175.6270 101 M 4.1140 7.8822 120.5917 57.9251 31.8749 179.0852 102 V 3.2916 7.5086 118.0833 65.7763 31.8994 177.8056 103 L 3.8456 8.1686 119.1309 57.8785 41.6120 179.0916 104 E 3.9101 8.2017 119.0744 59.2419 29.0844 178.8727 105 S 4.0638 7.5644 112.1848 61.3467 62.4311 176.1443 106 L 3.8343 7.8703 121.3933 57.8316 41.1406 179.2959 107 A 3.9538 8.2890 119.3779 54.8778 18.3487 178.5900 108 A 4.3457 7.6329 115.7575 52.7635 19.2650 177.7778 109 T 4.3535 7.1749 111.7799 63.8389 69.0095 176.3385 110 V 4.3595 7.9644 115.1243 61.4749 31.8074 175.5288 111 R 5.0172 7.3989 118.5612 54.5689 32.3735 176.0806 112 L 4.7717 9.0632 124.5209 53.1947 42.7645 175.4768 113 Q 4.2244 7.9682 118.1125 55.8590 29.9256 176.9563 114 L 4.4896 8.2971 119.8651 55.7222 43.4441 177.1845 115 E 4.1578 8.0299 118.4121 55.8663 30.0149 176.3782 116 H 4.3377 9.0607 117.9579 56.0725 28.3389 175.0530 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 4 L 8.18 4.21 0.00 1.50 1.69 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.66 4.53 0.00 3.79 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 6 P 0.00 4.52 0.00 2.22 2.03 0.00 3.85 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 1.98 1.94 0.00 7 V 7.99 4.25 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 0.66 0.00 0.00 0.94 0.00 0.00 8 A 8.70 4.00 1.26 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 0.00 0.00 9 L 8.29 4.29 0.00 1.60 1.68 0.92 0.89 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 10 R 8.31 4.63 0.00 0.67 1.14 0.00 3.01 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 11 Q 8.31 5.26 0.00 1.71 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 12 M 8.79 4.98 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 13 S 8.74 4.93 0.00 3.78 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 14 C 8.97 4.70 0.00 2.43 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 15 A 8.20 5.13 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 16 A 8.72 4.96 1.15 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 0.00 0.00 17 G 8.32 4.05 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 0.00 0.00 0.00 18 T 8.90 4.05 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 1.28 0.00 0.00 19 T 7.48 4.59 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 1.22 0.00 0.00 20 Q 7.80 3.82 0.00 1.30 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.07 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.00 21 T 7.72 3.86 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 1.15 0.00 0.00 22 A 7.70 3.99 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 23 C 8.02 4.41 0.00 3.29 3.03 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 0.00 0.00 0.00 24 T 7.73 4.15 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 1.30 0.00 0.00 25 D 7.71 4.91 0.00 2.74 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 26 D 8.58 4.47 0.00 2.67 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 27 N 8.62 5.18 0.00 2.79 2.84 0.00 0.00 6.83 7.41 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 28 A 7.81 4.61 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 29 L 8.91 5.16 0.00 1.70 1.45 0.89 0.91 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 30 A 9.01 5.38 1.51 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 0.00 0.00 31 Y 9.30 4.86 0.00 2.95 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 32 Y 9.22 5.32 0.00 2.97 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 33 N 9.55 5.36 0.00 2.91 3.00 0.00 0.00 7.09 6.32 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 34 N 9.07 5.73 0.00 3.03 3.33 0.00 0.00 6.47 7.96 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 35 S 8.86 4.22 0.00 3.97 4.13 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 36 K 7.72 4.21 0.00 1.64 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.32 7.81 *38 G 7.65 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 39 R 8.28 4.68 0.00 1.41 1.40 0.00 2.72 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.35 0.00 40 F 9.25 4.66 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 4.05 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 0.76 0.00 0.00 -0.06 0.00 0.00 42 L 9.19 4.43 0.00 1.69 1.77 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.82 5.20 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 44 L 9.52 5.43 0.00 1.67 1.63 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.19 5.43 0.00 1.94 1.59 1.33 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.26 5.00 0.00 4.03 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 47 D 8.78 4.58 0.00 2.58 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 48 H 7.92 4.70 0.00 3.21 3.38 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.64 4.85 0.00 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 50 D 7.93 4.91 0.00 2.78 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 51 L 7.98 4.21 0.00 0.58 1.20 0.68 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.69 4.62 0.00 1.80 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.63 7.81 53 W 8.10 5.34 0.00 3.28 3.21 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 54 A 8.82 4.90 1.20 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 0.00 0.00 0.00 55 R 8.48 4.28 0.00 1.43 1.45 0.00 3.09 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 56 F 9.17 4.65 0.00 2.93 2.84 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 57 P 0.00 4.85 0.00 1.91 1.95 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 58 K 8.96 4.05 0.00 1.81 1.75 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 59 S 8.67 4.17 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.96 4.37 0.00 2.81 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 61 G 7.75 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 62 T 8.40 4.19 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 1.22 0.00 0.00 63 G 6.84 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 0.00 0.00 0.00 64 T 8.33 5.08 4.08 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 1.20 0.00 0.00 65 I 9.11 4.71 2.08 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 1.28 1.33 1.04 0.00 0.00 66 Y 8.95 5.37 0.00 2.95 3.21 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 67 T 8.97 4.88 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 68 E 8.62 3.42 0.00 1.68 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 1.47 2.00 0.00 69 L 7.50 4.91 0.00 1.42 1.59 0.63 0.89 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 70 E 8.87 4.57 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 2.34 2.47 0.00 71 P 0.00 4.29 0.00 2.06 2.03 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 72 P 0.00 4.30 0.00 1.71 0.49 0.00 3.70 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 1.87 2.02 0.00 73 C 8.26 4.88 0.00 2.86 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 74 R 8.80 4.42 0.00 1.92 1.82 0.00 3.35 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.00 75 F 8.16 4.77 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.49 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 0.73 0.00 0.00 0.81 0.00 0.00 77 T 8.48 4.92 4.54 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 1.08 0.00 0.00 78 D 8.94 5.04 0.00 2.61 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 79 T 7.75 4.73 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 1.27 0.00 0.00 80 P 0.00 4.38 0.00 2.06 2.16 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 81 K 7.68 4.44 0.00 1.66 1.65 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.35 7.81 82 G 7.99 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.73 0.00 2.02 1.98 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 84 K 8.56 4.72 0.00 1.54 1.54 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.49 7.81 85 V 8.07 4.42 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 0.64 0.00 0.00 0.54 0.00 0.00 86 K 7.97 4.43 0.00 0.96 1.76 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.06 7.81 87 Y 9.11 5.25 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 88 L 9.02 5.13 0.00 1.57 1.36 0.62 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 9.51 4.98 0.00 2.88 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 90 F 8.68 5.07 0.00 3.13 2.92 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 91 I 8.71 4.16 1.93 0.00 0.00 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 1.14 0.71 0.90 0.00 0.00 92 K 8.06 3.74 0.00 1.60 1.75 0.00 1.99 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.41 7.81 93 G 8.78 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 0.00 0.00 0.00 94 L 7.65 4.09 0.00 1.81 1.52 1.11 1.13 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 95 N 8.48 4.65 0.00 3.00 2.92 0.00 0.00 6.26 6.96 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 96 N 8.46 4.29 0.00 2.69 2.82 0.00 0.00 6.44 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 97 L 7.80 3.89 0.00 1.58 1.79 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.98 4.51 0.00 2.97 2.94 0.00 0.00 7.07 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 99 R 7.78 3.84 0.00 1.73 1.48 0.00 2.98 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 100 G 8.22 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 0.00 0.00 0.00 0.00 101 M 7.88 4.11 0.00 2.11 2.28 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 2.81 2.53 0.00 102 V 7.51 3.29 2.36 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 0.45 0.00 0.00 0.85 0.00 0.00 103 L 8.17 3.85 0.00 1.68 1.67 0.94 0.69 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 0.00 104 E 8.20 3.91 0.00 2.06 1.99 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 2.29 2.35 0.00 105 S 7.56 4.06 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.87 3.83 0.00 1.64 1.42 0.23 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.29 3.95 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 0.00 108 A 7.63 4.35 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 0.00 109 T 7.17 4.35 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 1.38 0.00 0.00 110 V 7.96 4.36 2.35 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 1.10 0.00 0.00 1.06 0.00 0.00 111 R 7.40 5.02 0.00 1.78 1.78 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 112 L 9.06 4.77 0.00 1.57 1.54 0.93 1.04 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 0.00 113 Q 7.97 4.22 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 114 L 8.30 4.49 0.00 1.65 1.75 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.03 4.16 0.00 1.93 1.82 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 2.31 2.22 0.00 116 H 9.06 4.34 0.00 3.27 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.