NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4277 8.1233 122.4695 51.3692 20.6855 176.2298 3 K 4.1336 8.5428 119.3732 55.9939 33.8159 174.1326 4 G 4.2529 9.2081 110.7351 44.9912 0.0000 172.0500 5 Y 5.1911 8.9003 124.1908 56.0835 39.4251 174.7100 6 W 4.6340 9.3219 135.0000 57.1333 32.0168 174.9074 7 I 5.3136 8.5421 127.4759 59.5779 39.5944 174.5797 8 A 5.1009 9.3509 129.2246 50.1574 22.1124 174.6892 9 Q 5.0964 9.1667 121.2665 54.0696 32.0603 175.0025 10 V 4.9753 9.0622 123.6205 61.2690 35.5733 173.4795 11 D 5.1118 9.0917 127.8286 52.4863 43.1060 175.4597 12 V 4.0679 8.2509 124.2686 62.5102 31.9066 175.7395 13 R 4.4617 9.0870 126.1552 56.4515 31.8831 176.5208 14 D 4.4740 7.7824 119.2516 52.1553 41.5378 175.2363 15 S 4.3395 8.5504 122.8310 60.6365 62.9978 175.9322 16 E 3.9652 8.1700 122.2231 59.5184 29.6821 178.6404 17 R 4.1407 8.1663 116.9596 58.6538 30.0781 178.3618 18 Y 4.1715 8.0297 120.1940 60.3317 38.7402 177.6418 19 K 4.0343 8.0496 119.2211 60.0745 32.3857 178.8863 20 D 4.3236 7.8181 119.9568 57.2638 40.6814 178.1145 21 Y 3.9972 7.7579 119.6013 60.5934 38.5655 177.8354 22 V 3.1161 7.5582 119.4220 65.9060 31.4006 178.1943 23 S 4.1098 7.9790 113.2005 61.2359 63.0436 175.8701 24 T 4.1020 7.4156 111.3955 63.1040 69.2164 176.2833 25 A 3.9361 7.7891 124.1923 54.2193 18.4152 179.0843 26 K 3.9593 7.5874 118.2334 59.7201 32.1883 177.0301 27 P 4.2491 0.0000 0.0000 65.4066 31.2855 178.5470 28 A 4.1247 8.0055 119.6856 55.2156 18.3651 179.4633 29 F 4.4832 7.9576 115.8534 61.1427 38.9147 177.7237 30 E 4.0581 8.6382 118.1242 59.4299 29.0453 179.3616 31 R 3.8460 8.0004 117.8323 58.6658 30.0874 177.5708 32 F 4.7966 8.0156 114.5636 56.4660 39.3261 175.7865 33 G 3.7609 8.0660 105.8527 46.2178 0.0000 174.1340 34 A 2.8024 8.0104 122.0340 51.5282 19.0099 177.7869 35 N 4.5797 8.6255 122.8932 51.6179 40.3709 173.8223 36 F 4.1352 8.6706 125.8746 57.7019 38.8675 175.3674 37 L 4.4646 8.8843 124.9601 56.5917 42.6523 177.5129 38 A 4.7391 7.7971 118.6806 50.4086 22.9752 175.8091 39 R 4.5227 8.3565 120.9300 55.3998 31.2453 174.1840 40 G 3.9582 9.3652 113.4218 46.0886 0.0000 172.5035 41 G 3.7782 7.9973 107.8624 44.3249 0.0000 173.7530 42 S 3.9403 8.4323 113.0521 58.8389 62.4611 173.6032 43 V 4.2500 8.3281 126.6934 61.3140 32.9590 174.6583 44 T 4.4377 8.2865 123.8442 61.6495 69.1769 174.0401 45 E 4.1807 8.6974 127.1641 56.2722 30.2877 176.2435 46 L 4.4984 8.6467 123.0102 55.8481 43.2231 176.8064 47 E 4.4457 7.7859 115.7452 55.7460 32.8929 176.4062 48 G 3.9952 8.9711 108.6586 45.6375 0.0000 172.1185 49 T 4.5033 8.0377 114.8441 61.9893 69.7339 174.7349 50 A 4.6459 8.9598 129.3972 50.4127 20.6794 177.2556 51 R 4.1589 8.2378 119.1713 55.9072 30.9880 177.0784 52 A 4.1339 8.9958 122.2781 54.3338 19.1718 177.7861 53 R 4.5108 8.4293 117.4136 54.8160 32.3289 174.5131 54 N 5.6374 8.7760 123.8127 51.4191 42.2673 173.7963 55 V 4.9518 9.2444 122.9322 61.1272 35.2224 174.1949 56 V 4.9121 9.1064 127.4010 61.2706 34.5112 173.9984 57 I 4.4511 9.1165 128.9699 59.2631 40.4764 174.0454 58 E 4.6114 8.9461 128.5959 54.8970 31.2449 174.9011 59 F 4.9634 8.8911 125.5555 54.9000 41.9623 175.2309 60 P 4.2891 0.0000 0.0000 65.1198 31.6816 176.9156 61 S 5.1048 7.5458 112.9329 56.9778 66.5860 175.7282 62 V 3.5465 8.2379 121.3638 66.3264 31.1098 177.6843 63 Q 4.0096 8.0716 118.6688 59.4616 28.9042 177.8064 64 H 4.1972 8.4006 117.1153 58.7336 28.7760 177.6516 65 A 2.5800 7.5836 122.0402 54.6877 18.1341 179.7049 66 I 3.5326 7.9293 118.6750 64.7081 36.9707 178.4500 67 D 4.1676 7.8781 118.5330 57.1693 40.9041 178.1703 68 C 3.0071 7.2696 119.0351 62.2908 31.3546 174.7636 69 Y 4.0527 7.7739 119.5674 61.0104 38.3903 177.6073 70 N 4.5213 8.1879 114.9898 53.6257 39.3736 175.8816 71 S 4.3078 7.1496 116.0351 57.6173 63.9807 173.5178 72 P 4.2132 0.0000 0.0000 65.9455 31.0368 178.7634 73 E 3.9026 8.1305 116.6292 59.6240 29.4611 178.4824 74 Y 3.7629 7.8404 119.1060 60.8502 38.7026 178.1472 75 Q 3.7766 8.3588 118.9242 58.9042 28.5611 178.9547 76 A 3.9103 7.7832 120.3356 55.0640 18.8621 179.1402 77 A 4.0066 7.8088 119.0724 55.3108 18.3763 179.6948 78 A 3.8284 7.8921 119.5326 55.0403 18.1067 179.7299 79 K 3.8080 7.4465 116.4432 59.8390 32.2647 179.2291 80 I 3.8444 7.5276 119.3614 64.3813 37.1307 178.3546 81 R 3.7514 7.7919 118.9465 59.6605 29.5921 178.3458 82 Q 4.0491 8.2083 116.8042 58.9637 28.7034 178.3713 83 E 4.2353 7.8663 118.8582 58.1475 29.8692 177.7810 84 V 4.5136 7.4757 109.9517 60.6884 33.1473 175.2333 85 A 4.8687 7.7703 119.8456 51.2241 22.0009 175.7040 86 D 5.0147 8.7468 120.1249 52.8415 43.2005 175.7184 87 A 5.6754 8.3015 122.9207 51.0714 22.5316 175.4754 88 E 4.4130 8.6831 120.8169 54.8032 33.0181 174.6491 *91 I 4.2939 7.9985 119.9427 61.5105 38.3200 175.6566 92 V 4.4136 8.5883 126.9756 60.7609 33.8842 174.3172 93 E 4.3818 8.9073 129.3570 55.9706 30.1447 176.5996 94 G 4.3178 9.1528 115.2561 45.7267 0.0000 173.1073 95 I 3.9950 8.4427 113.8338 60.7835 38.4647 176.5375 96 G 3.7595 8.5290 111.6364 45.9097 0.0000 173.6297 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 A 8.12 4.43 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 3 K 8.54 4.13 0.00 1.49 1.29 0.00 1.62 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.42 7.81 4 G 9.21 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 0.00 0.00 0.00 0.00 5 Y 8.90 5.19 0.00 3.09 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 6 W 9.32 4.63 0.00 3.66 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 7 I 8.54 5.31 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.97 0.00 0.00 8 A 9.35 5.10 1.56 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 9 Q 9.17 5.10 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 10 V 9.06 4.98 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 0.87 0.00 0.00 1.14 0.00 0.00 11 D 9.09 5.11 0.00 2.57 2.52 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 12 V 8.25 4.07 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 0.57 0.00 0.00 0.20 0.00 0.00 13 R 9.09 4.46 0.00 1.76 1.94 0.00 3.26 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 14 D 7.78 4.47 0.00 2.65 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 15 S 8.55 4.34 0.00 4.14 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 16 E 8.17 3.97 0.00 2.02 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 2.32 2.43 0.00 17 R 8.17 4.14 0.00 1.97 2.02 0.00 3.20 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 18 Y 8.03 4.17 0.00 3.30 3.18 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 19 K 8.05 4.03 0.00 2.08 2.14 0.00 1.40 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.51 7.81 20 D 7.82 4.32 0.00 3.00 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 21 Y 7.76 4.00 0.00 2.91 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 22 V 7.56 3.12 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 0.93 0.00 0.00 0.86 0.00 0.00 23 S 7.98 4.11 0.00 4.02 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 24 T 7.42 4.10 4.17 0.00 0.00 0.00 0.00 0.00 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 25 A 7.79 3.94 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 26 K 7.59 3.96 0.00 1.97 2.01 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.56 7.81 27 P 0.00 4.25 0.00 2.20 2.10 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 28 A 8.01 4.12 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 29 F 7.96 4.48 0.00 3.32 3.06 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 30 E 8.64 4.06 0.00 2.06 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 2.38 2.42 0.00 31 R 8.00 3.85 0.00 1.90 1.97 0.00 3.09 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.36 0.00 32 F 8.02 4.80 0.00 3.40 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 33 G 8.07 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.01 2.80 0.70 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 0.00 0.00 35 N 8.63 4.58 0.00 2.65 2.68 0.00 0.00 6.79 7.58 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 36 F 8.67 4.14 0.00 2.86 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 37 L 8.88 4.46 0.00 1.68 1.75 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.80 4.74 1.23 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 0.00 0.00 39 R 8.36 4.52 0.00 1.84 1.80 0.00 3.10 0.00 0.00 2.74 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 40 G 9.37 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 0.00 0.00 0.00 41 G 8.00 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.43 3.94 0.00 3.84 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 43 V 8.33 4.25 2.09 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 0.90 0.00 0.00 1.00 0.00 0.00 44 T 8.29 4.44 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 45 E 8.70 4.18 0.00 1.96 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 0.00 2.32 2.33 0.00 46 L 8.65 4.50 0.00 1.61 1.69 0.92 0.88 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 47 E 7.79 4.45 0.00 1.88 1.79 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 2.20 2.28 0.00 48 G 8.97 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 0.00 0.00 0.00 49 T 8.04 4.50 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 1.24 0.00 0.00 50 A 8.96 4.65 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 51 R 8.24 4.16 0.00 1.83 1.97 0.00 3.37 0.00 0.00 3.48 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 52 A 9.00 4.13 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 53 R 8.43 4.51 0.00 1.84 1.99 0.00 2.82 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 54 N 8.78 5.64 0.00 2.69 2.72 0.00 0.00 6.45 7.68 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 55 V 9.24 4.95 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 1.22 0.00 0.00 1.16 0.00 0.00 56 V 9.11 4.91 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 1.12 0.00 0.00 0.99 0.00 0.00 57 I 9.12 4.45 1.51 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.39 -0.55 0.00 0.00 58 E 8.95 4.61 0.00 2.06 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 2.04 1.86 0.00 59 F 8.89 4.96 0.00 2.97 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 60 P 0.00 4.29 0.00 1.67 2.01 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 61 S 7.55 5.10 0.00 4.04 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 62 V 8.24 3.55 2.07 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 0.95 0.00 0.00 0.99 0.00 0.00 63 Q 8.07 4.01 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 64 H 8.40 4.20 0.00 3.53 3.60 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.58 2.58 1.06 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 66 I 7.93 3.53 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.42 0.86 0.00 0.00 67 D 7.88 4.17 0.00 2.54 2.53 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 68 C 7.27 3.01 0.00 2.71 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 69 Y 7.77 4.05 0.00 2.72 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 70 N 8.19 4.52 0.00 2.78 2.84 0.00 0.00 7.09 7.12 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 71 S 7.15 4.31 0.00 4.34 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 72 P 0.00 4.21 0.00 2.19 2.15 0.00 3.67 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 2.14 2.21 0.00 73 E 8.13 3.90 0.00 2.09 1.98 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 2.42 2.43 0.00 74 Y 7.84 3.76 0.00 3.03 3.18 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 75 Q 8.36 3.78 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 76 A 7.78 3.91 1.31 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 0.00 0.00 0.00 77 A 7.81 4.01 1.10 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 0.00 0.00 78 A 7.89 3.83 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 79 K 7.45 3.81 0.00 1.85 1.88 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.61 7.81 80 I 7.53 3.84 2.08 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 1.41 0.82 0.97 0.00 0.00 81 R 7.79 3.75 0.00 0.67 1.60 0.00 3.22 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 82 Q 8.21 4.05 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 83 E 7.87 4.24 0.00 2.06 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 2.34 2.49 0.00 84 V 7.48 4.51 2.17 0.00 0.00 0.00 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 1.19 0.00 0.00 85 A 7.77 4.87 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 86 D 8.75 5.01 0.00 2.61 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 87 A 8.30 5.68 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 88 E 8.68 4.41 0.00 1.97 1.88 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 2.31 2.37 0.00 *91 I 8.00 4.29 1.73 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.13 0.89 0.00 0.00 92 V 8.59 4.41 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 1.07 0.00 0.00 0.96 0.00 0.00 93 E 8.91 4.38 0.00 2.04 1.87 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 2.33 2.36 0.00 94 G 9.15 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 0.00 0.00 0.00 0.00 95 I 8.44 4.00 1.89 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 1.32 0.68 0.92 0.00 0.00 96 G 8.53 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.