NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 E 4.3927 8.4449 116.6061 55.1186 31.8429 175.4150 4 E 3.7802 8.2502 114.9930 58.9555 29.4450 177.9653 5 W 4.4552 8.3127 114.7655 58.2180 29.0682 174.1503 6 Y 5.1814 7.7202 121.1771 56.9628 37.3929 174.3681 7 F 4.3465 9.3874 126.6221 56.4504 40.3201 177.1524 8 G 3.7050 5.5755 111.2843 47.0127 0.0000 176.5169 9 K 4.6327 8.4405 117.4678 55.4763 32.1109 176.2651 10 I 4.0524 7.1463 112.5994 61.3563 39.1753 177.2131 11 T 4.1866 8.7431 118.9523 62.8203 70.3560 175.8757 12 R 3.7870 8.6071 122.4006 61.0226 29.9092 178.3349 13 R 3.6657 7.9558 115.0482 59.9853 30.0399 178.1266 14 E 3.9655 8.2008 118.2411 59.5884 29.5986 179.7909 15 S 4.0709 8.3030 114.5011 61.2537 63.1621 176.3400 16 E 3.9208 8.5360 122.6621 59.4455 29.0713 179.3805 17 S 4.2445 8.0384 113.7169 61.7194 62.9044 176.7628 18 L 4.1460 7.4928 120.7299 57.9014 41.5288 179.3263 19 L 4.1341 7.9164 117.5390 56.8161 42.4325 177.6316 20 L 4.3241 8.3078 120.4404 54.2050 41.2113 176.8309 21 N 4.8417 7.7001 117.7648 51.4683 40.5284 173.1979 22 P 4.2119 0.0000 0.0000 65.9830 31.5907 177.4449 23 E 4.0481 8.4743 116.2708 58.4278 29.5303 176.9296 24 N 4.5697 8.2405 118.2783 51.7405 39.1437 173.4107 25 P 4.3327 0.0000 0.0000 62.3247 31.9669 175.6848 26 R 4.0855 8.2882 120.4401 58.2143 30.5032 176.9032 27 G 4.1989 9.2181 113.2964 46.3419 0.0000 173.2071 28 T 4.7898 7.9693 117.9290 63.8378 69.5284 173.4426 29 F 5.7643 9.5028 120.4765 55.1687 42.1588 173.3431 30 L 4.9550 9.0692 118.5901 54.1700 44.3214 174.9859 31 V 4.9836 9.1091 120.7979 61.4252 33.7497 174.5083 32 R 5.0161 8.9462 127.1955 54.2325 33.7674 174.0945 33 E 4.3130 9.1229 125.1099 55.7946 30.6268 177.4609 34 S 4.4559 8.6402 120.5815 57.7016 60.4768 171.4999 35 E 3.8580 7.8763 120.3474 56.2690 29.2891 176.0371 36 T 3.5301 8.7026 115.8126 62.6697 68.0807 173.0265 37 T 4.6185 8.0776 115.3531 62.8787 69.5393 172.7605 38 K 4.2841 7.7122 121.1004 55.5850 35.2941 175.0915 39 G 4.0174 8.6266 105.3755 45.5688 0.0000 174.0135 40 A 4.5864 7.5280 120.3441 51.7078 20.7305 175.3564 41 Y 5.2422 8.7694 116.0209 56.6539 42.5077 174.7031 42 C 5.8584 9.2323 116.8913 57.7989 32.5713 173.8020 43 L 4.6945 8.8853 126.8257 55.1316 43.1937 175.4196 44 S 5.1609 9.4575 122.8729 56.8113 65.9330 173.0712 45 V 4.9993 8.5370 125.5528 60.6552 34.1055 174.8701 46 S 4.7665 9.0701 123.6608 58.5779 64.2105 172.8324 47 D 5.3640 9.3114 123.0655 52.5052 45.0483 174.2753 48 F 5.3012 8.5568 123.4186 56.8160 42.2192 172.9483 49 D 4.7627 7.9241 124.6851 51.2338 42.3880 176.7662 50 N 4.1434 8.7387 117.1329 56.5184 38.7740 176.4456 51 A 4.0181 7.9246 119.7159 54.8846 18.3785 178.3574 52 K 4.0718 7.9218 112.3334 56.1911 33.5689 177.8508 53 G 3.5168 7.7287 108.9417 44.0145 0.0000 172.2030 54 L 4.4798 8.8202 118.4589 55.8832 41.9937 176.8177 55 N 5.2802 9.2857 120.5021 51.1348 41.6554 173.5698 56 V 4.9400 8.1749 118.1404 59.8084 34.1857 174.7973 57 K 4.3732 8.7756 124.0479 55.3990 35.1041 174.8375 58 H 5.2375 8.1734 118.7504 54.5894 31.1577 173.8737 59 Y 4.8611 8.8677 118.8973 56.0679 42.2450 174.4785 60 K 4.6554 8.8698 125.5866 56.3741 34.0251 175.5798 61 I 4.5541 8.8043 129.4680 60.0702 38.1231 175.2445 62 R 4.3725 8.5789 127.9225 55.6816 31.4213 176.2406 63 K 4.1722 8.7166 125.1144 54.9990 33.0778 177.1369 64 L 4.2324 8.4340 127.3030 56.2444 41.7823 177.9230 65 D 4.2104 7.8280 113.8944 53.1804 37.7583 172.7480 66 S 4.6516 7.1110 117.6710 58.4685 67.1835 178.8231 67 G 3.9844 8.4730 109.2194 44.0372 0.0000 172.8523 68 G 4.5206 6.8256 114.3379 46.7339 0.0000 169.5521 69 F 6.2061 9.0480 120.6903 55.5955 43.9782 173.1499 70 Y 5.1719 8.3995 117.6905 56.8540 40.6729 175.1324 71 I 4.1434 9.1880 121.2757 62.6870 38.3949 176.1823 72 T 4.6487 7.7760 110.2653 60.1800 70.1021 175.5528 73 S 3.5502 9.1283 121.6658 61.6880 62.9330 176.2375 74 R 3.9075 7.9012 114.8356 58.2131 29.4309 176.4352 75 T 4.1399 7.9964 114.3931 61.8004 70.2783 172.8342 76 Q 4.3271 7.8301 124.5724 53.5625 31.6372 175.5231 77 F 5.1233 8.4429 119.3850 55.5022 42.2168 176.7477 78 S 4.2178 9.0935 120.5240 61.3921 63.0521 175.0771 79 S 5.0856 7.8198 112.8388 55.8281 67.3951 174.7795 80 L 3.6464 8.2704 121.6136 57.7206 41.2475 179.4603 81 Q 4.1931 8.2312 119.1252 59.2472 28.8964 178.3068 82 Q 3.8536 8.1925 119.3837 58.7094 28.7725 177.5054 83 L 2.4400 7.4130 121.0251 57.9898 41.9023 179.0481 84 V 3.0865 7.5349 117.1042 66.0525 31.2010 178.2437 85 A 3.9178 7.7277 119.0637 54.8922 18.3217 178.7371 86 Y 4.0523 7.7984 118.4992 61.2491 38.8924 177.9573 87 Y 4.9860 7.5377 117.9183 59.7275 37.7662 178.1051 88 S 4.2738 7.8491 115.7485 60.5839 62.8509 175.5868 89 K 4.2032 7.6932 120.0577 56.1065 33.7240 176.4570 90 H 4.7494 6.8285 114.6999 53.6732 32.1858 174.2487 91 A 3.9511 8.6415 126.3080 53.1505 18.7789 177.0647 92 D 4.5734 9.3571 113.5248 55.2299 39.7420 174.3100 93 G 3.9770 8.4000 104.7256 44.7133 0.0000 174.4940 94 L 3.9714 7.7953 120.5499 54.0481 42.2040 177.5946 95 C 4.0268 8.5100 116.4036 61.9678 29.4052 173.8281 96 H 4.5895 7.3800 112.4243 54.5848 32.6370 173.2794 97 R 4.0218 7.9060 122.7393 56.5950 30.4511 176.1618 98 L 4.0552 8.3187 122.5334 56.6316 41.8213 174.6836 99 T 4.4929 9.4649 110.6633 62.3651 70.4314 174.5648 100 N 4.8075 8.9622 115.5892 51.9106 41.2815 175.4714 101 V 3.5882 8.1981 122.1146 62.4534 32.4188 175.3224 102 C 4.0697 8.3631 128.5775 59.3075 31.9737 172.0554 103 P 4.4260 0.0000 0.0000 62.7026 31.8636 175.9905 104 T 4.7613 8.1215 106.3347 61.4921 70.1993 173.7171 105 S 4.3076 7.9970 115.2481 57.5180 63.5932 174.4385 106 K 3.6858 9.1000 117.0643 55.2487 28.4375 178.8596 107 E 4.6214 7.6714 119.3651 54.2043 30.7321 176.4676 108 F 4.3063 8.6259 127.5776 57.8469 39.9546 174.3885 109 I 4.0463 7.4456 121.3538 58.7087 39.0705 175.3728 110 V 3.5490 7.9162 125.4076 62.3328 31.8545 176.0055 111 T 4.1808 8.2972 117.5528 61.3740 69.8333 174.0685 112 D 4.5169 8.3734 119.9946 53.4549 39.6832 176.2407 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 E 8.44 4.39 0.00 2.01 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 2.13 1.91 0.00 4 E 8.25 3.78 0.00 2.08 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 2.30 2.28 0.00 5 W 8.31 4.46 0.00 3.40 3.10 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 0.00 0.00 0.00 6 Y 7.72 5.18 0.00 2.85 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 7 F 9.39 4.35 0.00 3.05 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 8 G 5.58 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 9 K 8.44 4.63 0.00 1.86 1.87 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.40 7.81 10 I 7.15 4.05 1.90 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 1.31 0.94 0.98 0.00 0.00 11 T 8.74 4.19 4.50 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 1.20 0.00 0.00 12 R 8.61 3.79 0.00 1.79 1.90 0.00 3.09 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 13 R 7.96 3.67 0.00 1.89 1.89 0.00 3.19 0.00 0.00 3.33 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 14 E 8.20 3.97 0.00 2.12 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 2.42 2.39 0.00 15 S 8.30 4.07 0.00 3.97 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 16 E 8.54 3.92 0.00 2.14 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 0.00 2.38 2.56 0.00 17 S 8.04 4.24 0.00 3.83 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 18 L 7.49 4.15 0.00 1.61 1.64 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.92 4.13 0.00 1.64 1.71 0.92 1.13 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 20 L 8.31 4.32 0.00 1.64 1.67 0.93 0.96 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 21 N 7.70 4.84 0.00 2.81 2.71 0.00 0.00 7.46 7.88 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 22 P 0.00 4.21 0.00 2.06 2.11 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 23 E 8.47 4.05 0.00 2.14 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 2.30 2.45 0.00 24 N 8.24 4.57 0.00 2.77 2.79 0.00 0.00 7.15 7.78 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 25 P 0.00 4.33 0.00 2.24 2.19 0.00 3.74 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 2.12 2.07 0.00 26 R 8.29 4.09 0.00 1.76 1.78 0.00 3.28 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.72 0.00 27 G 9.22 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 0.00 0.00 0.00 0.00 28 T 7.97 4.79 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 1.24 0.00 0.00 29 F 9.50 5.76 0.00 3.03 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 30 L 9.07 4.95 0.00 1.13 0.99 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.11 4.98 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 0.95 0.00 0.00 0.84 0.00 0.00 32 R 8.95 5.02 0.00 1.94 1.78 0.00 3.17 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 33 E 9.12 4.31 0.00 2.13 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 2.10 2.35 0.00 34 S 8.64 4.46 0.00 3.99 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 35 E 7.88 3.86 0.00 1.95 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 2.29 2.41 0.00 36 T 8.70 3.53 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 1.21 0.00 0.00 37 T 8.08 4.62 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 1.21 0.00 0.00 38 K 7.71 4.28 0.00 2.07 1.81 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.41 7.81 39 G 8.63 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 0.00 0.00 0.00 40 A 7.53 4.59 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 41 Y 8.77 5.24 0.00 3.05 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 42 C 9.23 5.86 0.00 2.89 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 43 L 8.89 4.69 0.00 1.83 1.77 0.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.46 5.16 0.00 3.75 3.70 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 45 V 8.54 5.00 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 1.13 0.00 0.00 1.07 0.00 0.00 46 S 9.07 4.77 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 47 D 9.31 5.36 0.00 2.76 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 F 8.56 5.30 0.00 3.00 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 49 D 7.92 4.76 0.00 2.56 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 50 N 8.74 4.14 0.00 2.73 2.96 0.00 0.00 7.07 7.42 0.00 0.00 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 A 7.92 4.02 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 52 K 7.92 4.07 0.00 1.75 1.84 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.26 7.81 53 G 7.73 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.82 4.48 0.00 1.64 1.75 0.96 1.05 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 55 N 9.29 5.28 0.00 2.75 2.82 0.00 0.00 5.93 7.20 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 56 V 8.17 4.94 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 0.81 0.00 0.00 57 K 8.78 4.37 0.00 1.33 1.73 0.00 1.25 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.36 7.81 58 H 8.17 5.24 0.00 2.95 3.18 0.00 5.64 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 59 Y 8.87 4.86 0.00 2.83 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 60 K 8.87 4.66 0.00 1.89 1.72 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.68 7.81 61 I 8.80 4.55 2.10 0.00 0.00 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 1.30 0.97 0.98 0.00 0.00 62 R 8.58 4.37 0.00 0.78 1.59 0.00 3.15 0.00 0.00 2.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 63 K 8.72 4.17 0.00 1.92 1.73 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.59 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.50 7.81 64 L 8.43 4.23 0.00 1.75 1.69 0.96 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.83 4.21 0.00 2.77 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 66 S 7.11 4.65 0.00 4.06 3.81 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 67 G 8.47 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 68 G 6.83 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.05 6.21 0.00 3.10 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 70 Y 8.40 5.17 0.00 3.28 2.99 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 71 I 9.19 4.14 1.92 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.19 0.99 0.00 0.00 72 T 7.78 4.65 4.40 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 1.28 0.00 0.00 73 S 9.13 3.55 0.00 3.80 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 74 R 7.90 3.91 0.00 1.88 2.04 0.00 2.99 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 75 T 8.00 4.14 4.26 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 0.72 0.00 0.00 76 Q 7.83 4.33 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 77 F 8.44 5.12 0.00 3.19 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 78 S 9.09 4.22 0.00 3.96 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 79 S 7.82 5.09 0.00 4.08 4.03 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 80 L 8.27 3.65 0.00 1.64 1.58 0.10 -0.15 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 81 Q 8.23 4.19 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 82 Q 8.19 3.85 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.50 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 83 L 7.41 2.44 0.00 1.48 1.47 1.13 0.65 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 84 V 7.53 3.09 1.57 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 0.44 0.00 0.00 -0.11 0.00 0.00 85 A 7.73 3.92 1.30 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 86 Y 7.80 4.05 0.00 2.75 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 87 Y 7.54 4.99 0.00 2.84 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 88 S 7.85 4.27 0.00 3.88 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 89 K 7.69 4.20 0.00 1.50 1.38 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.32 7.81 90 H 6.83 4.75 0.00 2.39 2.97 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.64 3.95 1.22 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 0.00 0.00 92 D 9.36 4.57 0.00 2.98 3.34 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 93 G 8.40 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 94 L 7.80 3.97 0.00 1.60 1.34 -0.17 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.51 4.03 0.00 3.27 3.20 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 96 H 7.38 4.59 0.00 3.15 3.18 0.00 5.78 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 97 R 7.91 4.02 0.00 1.68 1.74 0.00 3.09 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 98 L 8.32 4.06 0.00 1.09 0.76 0.04 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.46 4.49 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 1.40 0.00 0.00 100 N 8.96 4.81 0.00 2.80 2.79 0.00 0.00 6.54 7.75 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 0.00 101 V 8.20 3.59 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 0.81 0.00 0.00 0.86 0.00 0.00 102 C 8.36 4.07 0.00 2.87 2.37 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 0.00 103 P 0.00 4.43 0.00 2.11 1.57 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 104 T 8.12 4.76 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 1.21 0.00 0.00 105 S 8.00 4.31 0.00 3.84 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 0.00 106 K 9.10 3.69 0.00 1.99 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.02 7.81 107 E 7.67 4.62 0.00 1.95 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 2.24 2.23 0.00 108 F 8.63 4.31 0.00 2.93 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 0.00 109 I 7.45 4.05 1.71 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 1.17 0.44 0.79 0.00 0.00 110 V 7.92 3.55 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 0.83 0.00 0.00 1.00 0.00 0.00 111 T 8.30 4.18 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 1.20 0.00 0.00 112 D 8.37 4.52 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.