NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 3.9808 8.2601 123.5815 51.8847 18.8428 175.8316 *2 A 4.1027 8.0850 122.9804 53.1329 19.9709 174.9395 3 T 4.9336 8.4380 117.5747 62.4782 71.4490 174.2605 4 K 4.8090 9.0532 123.4906 54.5152 36.9961 174.6966 5 L 5.2815 8.9207 124.7130 53.3515 44.2851 175.2812 6 V 4.8389 8.4398 126.3160 60.0581 33.5698 175.2069 7 I 4.7985 9.0533 125.1654 59.5274 39.8496 174.2200 8 A 5.1641 8.9813 129.3178 50.2205 21.6629 174.6955 9 I 4.9569 8.9583 124.0992 60.0519 39.7919 175.1906 10 V 4.7478 8.4861 124.0712 62.1146 35.6915 172.7354 11 Q 4.5529 8.6450 123.8039 55.1570 29.8159 176.7542 12 D 4.4371 8.9443 121.8021 57.8267 40.5557 179.6084 13 K 3.9103 8.0559 117.1890 59.7108 32.0120 178.3102 14 D 4.6205 8.3397 117.2307 55.6035 41.0662 178.4763 15 A 4.3504 7.7085 122.2100 55.5075 18.2948 179.0794 16 N 4.3458 8.2191 114.5837 56.4925 38.7405 176.4234 17 Y 4.1054 8.1179 120.1273 60.8713 38.7135 178.1911 18 L 3.4735 8.0641 121.0597 58.1547 42.0615 179.1481 19 S 4.1589 8.0712 114.0184 61.6796 62.8308 176.1753 20 D 4.3036 8.1194 122.4554 56.9723 40.4984 178.1644 21 Q 3.6219 7.7120 120.2237 59.0864 28.9274 178.1502 22 F 4.4425 7.8776 118.8423 61.0992 39.0396 178.1701 23 I 3.8347 7.6165 118.9722 64.5793 36.9007 178.1465 24 D 4.6679 8.0127 117.6892 56.1496 40.6964 177.6419 25 Q 4.3904 7.6959 117.1247 54.3030 30.4592 174.2476 26 N 4.0301 8.5639 117.4475 54.7068 37.1222 175.0415 27 V 4.1003 8.5633 117.4529 60.9111 33.7467 175.3820 28 R 4.0311 8.5548 127.0270 56.0368 28.9354 175.6547 29 A 4.6871 8.1272 125.3164 50.1741 21.1437 175.5821 30 T 4.6430 8.3030 114.3969 59.8804 70.0390 172.4358 31 K 4.7132 8.6205 128.9748 54.5949 34.2423 174.9792 32 L 4.8815 8.8254 127.4768 52.9880 44.9750 175.2380 33 S 5.1787 8.4630 115.5109 57.0230 65.3928 173.1402 34 T 4.8762 8.7827 112.6404 60.4254 72.6767 172.0209 35 T 5.0145 8.0636 110.4528 60.1514 72.3956 172.7779 36 G 3.8324 9.0457 108.4588 46.9175 0.0000 173.6756 37 G 4.5033 8.3336 105.6096 44.6007 0.0000 174.3191 38 F 4.0200 8.7330 120.1734 60.9682 39.2581 175.7596 39 L 4.3309 8.0456 116.9753 54.2444 42.1166 176.0280 40 Q 3.4995 7.6914 116.9104 57.0626 26.7372 173.4986 41 S 4.5497 7.7795 113.7086 57.7637 65.4926 174.2406 42 G 4.2874 8.4822 107.8936 46.1509 0.0000 172.9833 43 N 5.6332 9.1354 119.7710 51.5079 41.5796 172.7939 44 T 5.0197 8.8317 107.7725 60.2838 72.4683 173.0926 45 T 5.1169 8.5026 118.7335 62.2298 72.2923 173.5510 46 F 5.1457 8.9859 124.7693 55.1138 43.1738 174.2954 *48 I 3.8626 8.2878 120.6715 61.6699 38.3567 175.3165 49 G 4.1484 8.5858 115.2976 46.0586 0.0000 171.3056 50 I 4.7245 8.4603 125.1323 59.2012 42.3719 173.7880 51 E 4.3882 8.5780 124.9373 55.6793 30.7404 176.9825 52 E 3.8339 9.3803 124.4293 59.7962 29.3955 179.3529 53 E 3.9951 8.1756 115.1515 59.0941 29.7031 178.2229 54 R 4.2888 8.2373 117.6069 56.2294 30.5599 178.1302 55 V 3.5201 7.5601 119.5251 66.0330 31.3862 176.1575 56 P 4.4384 0.0000 0.0000 65.2007 31.1203 177.9778 57 E 3.8866 8.2161 117.9549 59.4309 29.4882 178.7091 58 V 3.6661 7.7414 117.8692 66.2855 31.4960 177.9662 59 L 4.0295 8.4534 118.7984 57.8897 41.4290 179.2340 60 E 3.9492 8.5355 119.4500 59.0759 29.4113 178.6947 61 I 3.6739 7.8663 120.0980 64.4963 37.1737 178.4589 62 I 3.5924 7.7720 120.3334 64.1604 37.0412 178.0727 63 K 3.8609 8.2731 120.8438 59.7961 31.7283 178.7435 64 K 4.0025 7.8443 116.7372 59.5527 32.0592 178.9877 65 A 4.4450 7.6685 120.0803 54.5445 18.5216 178.3390 66 S 4.9707 8.4920 108.6248 57.3394 65.5805 174.2390 67 H 4.6027 8.3708 116.2158 56.3204 29.0081 175.2056 68 T 4.4071 8.4604 116.6451 63.8544 69.4872 173.8428 69 R 4.7782 9.1880 122.3776 54.7454 33.7541 173.3156 70 E 5.1530 8.6079 116.4111 54.6879 32.3667 174.7000 71 E 4.6667 9.2027 119.9879 54.7295 34.5592 174.7973 72 F 5.3643 8.4051 119.1179 56.2815 40.7256 175.8510 *74 T 4.1372 8.1593 115.8828 62.8102 69.4721 172.5489 75 P 4.1064 0.0000 0.0000 66.5897 31.4169 176.6551 *89 Y 4.3139 7.4780 115.4878 55.2738 37.0701 174.3413 90 P 4.4679 0.0000 0.0000 62.5916 32.3779 175.7446 91 I 4.8323 8.0635 119.5448 58.9113 41.7887 174.0375 92 K 4.2116 8.8276 130.3638 56.2761 32.6023 176.2652 93 V 4.5315 9.1292 127.3642 59.8442 35.1447 174.3380 94 Q 4.7069 8.5854 123.6960 55.9820 29.9807 175.0430 95 V 4.3438 9.1759 118.2846 61.1867 36.7579 176.1300 96 G 3.5588 8.2003 109.3903 44.8971 0.0000 173.3983 97 G 4.0812 8.6935 107.5318 44.4821 0.0000 173.1050 98 A 4.9266 8.2267 123.0086 50.3341 22.5963 175.0771 99 T 4.6773 8.8038 116.3615 60.3683 70.1548 173.3458 100 V 5.2157 8.3717 120.4769 59.6805 36.1723 174.6068 101 L 4.9365 9.1038 123.5047 54.0058 44.0519 175.3006 102 V 4.8456 8.5089 121.5429 60.0919 33.2043 174.8694 103 L 4.8804 9.1464 126.2999 52.0517 44.2304 174.5188 104 P 4.7369 0.0000 0.0000 62.9324 32.5088 175.7258 105 V 4.3274 8.0223 120.1275 61.3614 33.3289 175.0374 106 D 4.5292 9.0550 128.4031 57.2276 41.0736 176.5124 107 Q 4.6394 7.5522 116.3852 54.8419 31.9133 173.0660 108 F 4.6414 8.5630 124.9255 56.6282 42.2384 173.4985 109 E 4.4448 7.6349 126.3059 54.1486 32.8441 174.8675 110 R 4.1502 8.0890 121.3867 54.3294 32.5041 175.6348 111 F 4.8204 8.3645 122.1666 57.7797 39.2702 175.4287 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 0 A 8.26 3.98 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 *2 A 8.08 4.10 1.32 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 0.00 0.00 0.00 3 T 8.44 4.93 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 1.17 0.00 0.00 4 K 9.05 4.81 0.00 1.56 1.75 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.46 7.81 5 L 8.92 5.28 0.00 1.74 1.51 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.44 4.84 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 0.77 0.00 0.00 0.95 0.00 0.00 7 I 9.05 4.80 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 1.00 0.00 0.00 8 A 8.98 5.16 1.39 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 0.00 0.00 9 I 8.96 4.96 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.63 1.01 0.00 0.00 10 V 8.49 4.75 2.32 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 1.13 0.00 0.00 1.03 0.00 0.00 11 Q 8.65 4.55 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 12 D 8.94 4.44 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.06 3.91 0.00 1.72 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 14 D 8.34 4.62 0.00 2.74 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 15 A 7.71 4.35 1.47 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 0.00 0.00 16 N 8.22 4.35 0.00 2.82 2.91 0.00 0.00 6.76 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.12 4.11 0.00 3.03 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 18 L 8.06 3.47 0.00 1.89 1.29 0.60 -0.68 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 19 S 8.07 4.16 0.00 4.34 4.55 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 20 D 8.12 4.30 0.00 2.79 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 21 Q 7.71 3.62 0.00 1.79 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 22 F 7.88 4.44 0.00 3.21 3.12 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 23 I 7.62 3.83 2.01 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 1.60 0.95 0.93 0.00 0.00 24 D 8.01 4.67 0.00 2.60 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 25 Q 7.70 4.39 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 26 N 8.56 4.03 0.00 2.77 2.86 0.00 0.00 6.80 7.60 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 27 V 8.56 4.10 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 0.41 0.00 0.00 0.99 0.00 0.00 28 R 8.55 4.03 0.00 1.82 1.91 0.00 3.39 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 29 A 8.13 4.69 1.01 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 0.00 0.00 30 T 8.30 4.64 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 1.23 0.00 0.00 31 K 8.62 4.71 0.00 1.67 1.57 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.91 0.34 7.81 32 L 8.83 4.88 0.00 1.54 1.48 0.91 0.56 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 33 S 8.46 5.18 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.78 4.88 4.23 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 1.19 0.00 0.00 35 T 8.06 5.01 4.53 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 1.20 0.00 0.00 36 G 9.05 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 37 G 8.33 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 0.00 0.00 0.00 0.00 38 F 8.73 4.02 0.00 2.97 3.12 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 39 L 8.05 4.33 0.00 1.74 1.74 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.69 3.50 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 41 S 7.78 4.55 0.00 3.84 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 42 G 8.48 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 0.00 0.00 0.00 0.00 43 N 9.14 5.63 0.00 3.07 2.92 0.00 0.00 6.38 6.68 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 44 T 8.83 5.02 4.16 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 1.20 0.00 0.00 45 T 8.50 5.12 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 1.24 0.00 0.00 46 F 8.99 5.15 0.00 3.02 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 *48 I 8.29 3.86 1.76 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.80 0.72 0.00 0.00 49 G 8.59 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 0.00 0.00 0.00 0.00 50 I 8.46 4.72 1.76 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 1.20 1.24 0.84 0.00 0.00 51 E 8.58 4.39 0.00 2.24 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 2.27 2.16 0.00 52 E 9.38 3.83 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 2.30 2.34 0.00 53 E 8.18 4.00 0.00 2.13 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 2.32 0.00 54 R 8.24 4.29 0.00 1.94 1.95 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 55 V 7.56 3.52 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 0.88 0.00 0.00 0.90 0.00 0.00 56 P 0.00 4.44 0.00 2.19 2.08 0.00 3.61 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 2.10 2.13 0.00 57 E 8.22 3.89 0.00 2.02 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 0.00 2.39 2.38 0.00 58 V 7.74 3.67 2.28 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 1.01 0.00 0.00 0.92 0.00 0.00 59 L 8.45 4.03 0.00 1.73 1.72 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.54 3.95 0.00 2.17 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 2.31 2.39 0.00 61 I 7.87 3.67 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.73 0.00 0.00 62 I 7.77 3.59 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.94 0.00 0.00 63 K 8.27 3.86 0.00 1.81 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 K 7.84 4.00 0.00 1.83 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.71 7.81 65 A 7.67 4.45 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.49 4.97 0.00 3.87 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 67 H 8.37 4.60 0.00 3.20 3.53 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.46 4.41 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 1.20 0.00 0.00 69 R 9.19 4.78 0.00 1.79 1.98 0.00 2.68 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.62 0.00 70 E 8.61 5.15 0.00 1.85 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 2.05 2.10 0.00 71 E 9.20 4.67 0.00 1.79 1.81 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 2.16 2.19 0.00 72 F 8.41 5.36 0.00 2.95 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 *74 T 8.16 4.14 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 1.24 0.00 0.00 75 P 0.00 4.11 0.00 2.04 2.16 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 *89 Y 7.48 4.31 0.00 2.36 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 0.00 0.00 0.00 0.00 90 P 0.00 4.47 0.00 1.94 2.08 0.00 3.54 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 91 I 8.06 4.83 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.38 0.95 0.00 0.00 92 K 8.83 4.21 0.00 1.55 1.54 0.00 0.61 0.00 0.00 1.46 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 0.81 7.81 93 V 9.13 4.53 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 0.79 0.00 0.00 0.90 0.00 0.00 94 Q 8.59 4.71 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 95 V 9.18 4.34 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 0.62 0.00 0.00 0.93 0.00 0.00 96 G 8.20 3.56 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 0.00 0.00 0.00 97 G 8.69 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 0.00 0.00 0.00 0.00 98 A 8.23 4.93 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 99 T 8.80 4.68 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 1.24 0.00 0.00 100 V 8.37 5.22 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 0.85 0.00 0.00 0.96 0.00 0.00 101 L 9.10 4.94 0.00 1.66 1.71 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.51 4.85 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 0.77 0.00 0.00 0.93 0.00 0.00 103 L 9.15 4.88 0.00 1.55 1.61 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.74 0.00 2.08 2.05 0.00 3.71 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 1.99 1.97 0.00 105 V 8.02 4.33 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 0.97 0.00 0.00 0.95 0.00 0.00 106 D 9.05 4.53 0.00 2.72 2.73 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 0.00 107 Q 7.55 4.64 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 108 F 8.56 4.64 0.00 2.96 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 0.00 109 E 7.63 4.44 0.00 1.16 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 0.00 0.00 0.00 2.04 2.13 0.00 110 R 8.09 4.15 0.00 1.62 1.74 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 111 F 8.36 4.82 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.