NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1200 8.0393 120.3143 61.7600 33.8621 175.7504 2 T 4.1171 7.6037 110.9332 60.9721 70.7539 172.5747 3 L 4.4963 9.1476 121.9048 55.3995 43.7261 177.3314 4 L 5.1928 7.7970 118.0480 52.7784 45.6798 176.1812 5 E 4.5239 9.0639 122.0240 54.7785 31.7962 173.9691 6 Q 5.3729 8.6475 125.8330 54.2142 30.8282 175.0671 7 N 5.1708 9.0518 120.3747 50.5981 41.2015 172.7429 8 P 4.7097 0.0000 0.0000 62.3527 32.8687 176.3354 9 R 4.3634 8.3015 116.8846 58.6461 31.0736 176.6898 10 W 5.6955 7.2590 112.8823 55.7321 31.5506 174.2269 11 R 4.1771 9.1454 117.5886 55.4565 33.6634 173.3429 12 L 5.0283 8.9366 126.8871 54.0822 42.6727 176.3231 13 V 4.2779 8.4002 125.0921 59.2104 32.6974 174.4341 14 P 4.4374 0.0000 0.0000 61.7224 31.3830 176.1069 15 R 3.7855 7.9689 116.5308 59.6971 30.1567 176.8579 16 G 4.0222 7.8088 108.7509 46.0512 0.0000 172.6650 17 Q 4.4303 7.3813 119.3903 53.7514 30.5557 174.9552 18 A 4.6643 8.3041 126.8764 51.6401 20.0120 176.5270 19 V 4.6487 8.8436 118.3750 59.9598 35.4368 173.9453 20 N 5.4767 8.6376 118.4480 51.1726 40.0049 173.3743 21 L 4.8541 8.8082 121.9652 53.0129 45.0720 175.3844 22 R 5.2692 9.2015 121.9833 54.8198 34.0717 173.0354 23 C 5.4810 9.8904 125.1551 54.8975 48.3973 172.3531 24 I 5.0541 8.6461 127.1382 59.3078 39.5451 174.4531 25 L 4.4637 9.0516 130.6697 54.9422 41.9099 176.6181 26 K 4.3673 9.2666 125.9249 56.7603 33.6008 176.1623 27 N 4.9039 7.9857 118.4821 51.6379 40.3488 174.6072 28 S 4.4333 8.7042 121.3839 59.9367 62.7520 175.0993 29 Q 3.9657 8.7565 122.5229 57.7374 29.2684 174.6489 30 Y 5.1191 7.3354 114.7955 56.1781 37.6821 173.6104 30A P 4.3712 0.0000 0.0000 63.3993 32.7060 177.1370 31 W 4.3982 8.4521 121.1894 56.2985 30.0087 175.1322 32 M 5.3139 8.6434 124.4753 53.6462 35.0370 175.1772 33 S 5.3078 8.8397 117.4173 56.8621 68.4769 172.6095 34 W 5.5705 9.1776 120.6124 55.4537 31.7141 174.7961 35 Y 5.1005 9.6511 122.0882 56.0936 41.5213 174.5769 36 Q 5.3345 9.2093 120.1961 54.5311 32.4552 174.0913 37 Q 5.1844 9.1279 121.9578 54.3964 32.0778 175.1818 38 D 4.9401 8.8587 126.6357 52.3903 40.6806 177.2295 39 L 4.0700 8.3520 118.4811 57.7440 41.5713 178.6660 40 Q 4.1348 8.0869 115.6303 56.3622 28.9889 176.3546 41 K 4.0685 8.4324 116.8516 57.0899 31.3595 175.6149 42 Q 4.2909 9.0878 121.9074 56.3819 29.8809 174.9041 43 L 5.0418 8.5777 126.6958 54.6298 43.1520 176.3794 44 Q 4.6894 9.3120 121.2084 53.7806 32.9199 174.5220 45 W 3.0622 9.0683 134.1715 57.4948 31.0875 174.5944 46 L 3.5762 7.0722 124.2129 55.5101 43.3898 176.7760 47 F 4.4787 6.5241 114.5229 56.4319 43.8047 173.4745 48 T 5.1800 8.9052 117.0426 62.1984 71.8430 173.6167 49 L 4.5946 9.0587 126.7573 53.1968 43.9334 176.5279 50 R 3.6888 8.6256 125.0172 57.2952 30.7320 176.6054 51 S 4.6172 8.1876 114.5677 55.4062 64.7645 171.6865 52 P 4.4087 0.0000 0.0000 64.4761 31.4524 175.6854 53 G 4.0959 8.8974 111.4205 45.6118 0.0000 173.9967 54 D 4.5364 8.6539 121.0175 54.3226 41.7439 175.7652 55 K 5.0251 8.4446 123.6717 55.0275 35.4606 174.5965 56 E 4.8795 9.5530 126.9870 54.7858 33.7746 173.8853 57 V 5.1035 8.5314 117.3596 59.5521 34.7497 175.0475 58 K 4.7941 9.5781 126.0822 54.7007 35.9306 174.7113 59 S 5.1682 8.8280 121.2809 56.6751 65.0816 173.4938 60 L 4.6641 8.6758 124.4569 51.5670 44.1441 173.7284 61 P 4.3796 0.0000 0.0000 64.4894 31.5263 176.7511 62 G 4.0385 9.9803 111.7229 43.8392 0.0000 172.1017 63 A 4.6366 7.4577 118.0658 51.2169 23.2105 174.9591 64 D 5.0427 8.9471 122.5032 52.8092 43.5357 175.3185 65 Y 5.3650 9.2688 119.5976 56.3246 42.9064 174.5128 66 L 5.0255 8.8307 123.1137 53.7903 45.3834 174.7574 67 A 5.0617 8.9929 128.8060 50.5492 22.4359 175.0818 68 T 4.8895 8.3842 115.6185 62.1841 73.6862 173.2487 69 R 4.4004 9.5598 128.6868 55.6161 30.3566 177.2549 70 V 3.5516 9.1448 127.9052 65.3841 31.9850 175.6047 71 T 4.7280 7.2863 107.0535 59.5786 71.7973 173.7481 72 D 4.4383 8.7009 120.2921 56.8682 40.8744 177.2445 73 T 4.6233 7.9623 107.0579 60.7801 70.8635 172.8189 74 E 4.9773 8.3673 124.1413 54.5649 32.7416 173.8513 75 L 5.0989 9.1180 129.4832 53.3499 44.8335 175.3217 76 R 5.4913 8.9684 124.2861 54.6450 34.1958 174.4682 77 L 4.8810 8.7178 121.9196 53.7388 46.2267 174.5170 78 Q 4.9820 9.2329 125.2496 54.2644 31.3750 174.7591 79 V 4.8005 8.8002 117.9592 59.5259 34.4113 174.9398 80 A 4.7614 8.3322 125.3733 49.9304 23.3911 174.9526 81 N 4.1382 8.4785 113.0473 54.3755 36.1529 175.2263 82 M 5.0309 8.1059 114.5878 53.4338 32.0910 175.9388 83 S 4.4643 8.4760 118.0357 58.5694 64.0299 173.2996 84 Q 4.5147 7.5042 120.8299 54.3071 31.8364 173.8971 85 G 4.0359 8.6193 110.5414 46.4086 0.0000 172.6121 86 R 4.6364 7.9727 114.8070 55.9485 33.1310 172.9834 87 T 5.2657 7.9719 115.4150 59.6555 70.1700 173.0672 *90 L 4.7362 8.2905 126.7525 55.0990 43.4444 175.1663 91 Y 5.3924 9.4137 121.6022 56.4614 41.3589 173.7959 92 C 5.1805 9.2420 122.6111 55.1884 45.1822 172.4029 93 T 5.6478 8.9119 115.1836 59.0525 72.1125 172.3713 94 C 5.4972 8.2692 115.7978 56.9550 33.5756 172.5815 95 S 5.3567 9.4349 114.3067 57.0478 65.6394 174.5739 96 A 4.3472 9.0612 125.4719 53.5016 18.6992 176.4902 97 D 4.3888 7.3439 112.9576 53.0730 44.1642 175.0540 98 R 2.5775 7.5187 121.3499 57.5804 30.0544 176.6106 99 V 4.1538 7.0532 115.8778 61.8487 34.0272 174.7730 100 G 3.8448 8.3606 114.0244 46.5589 0.0000 172.5095 *103 N 5.4494 7.8893 113.4436 53.1893 39.8417 174.3338 *105 T 4.0275 8.1090 116.4334 63.5427 69.7846 173.1667 106 L 4.6577 8.0993 124.3877 53.4223 43.7491 175.3677 107 Y 4.8234 8.6185 120.6863 56.2118 40.9063 174.9286 108 F 4.6171 9.1993 122.4278 56.7818 40.4757 176.5179 109 G 4.0975 9.1668 110.5311 45.9126 0.0000 172.9051 110 E 4.4281 9.1057 117.8052 56.6318 30.0774 178.1390 111 G 3.5473 8.7641 103.3600 45.5185 0.0000 173.1282 112 S 4.7647 8.4658 115.6523 56.4093 65.4321 174.1046 113 R 4.3618 9.2137 127.8635 55.7483 30.8369 175.4236 114 L 4.8964 8.7438 128.5780 54.1016 42.8325 176.0948 115 I 4.6910 8.9543 125.9582 59.4249 39.8442 176.6534 116 V 3.9690 8.2222 124.0337 63.0636 31.6398 175.1637 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 1 V 8.04 4.12 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 0.99 0.00 0.00 0.94 0.00 0.00 2 T 7.60 4.12 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 1.33 0.00 0.00 3 L 9.15 4.50 0.00 1.44 1.58 -0.07 0.32 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 4 L 7.80 5.19 0.00 1.51 1.50 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.06 4.52 0.00 2.05 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 2.19 2.30 0.00 6 Q 8.65 5.37 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 7 N 9.05 5.17 0.00 2.68 2.85 0.00 0.00 6.45 7.38 0.00 0.00 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 P 0.00 4.71 0.00 2.24 1.89 0.00 3.72 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 1.89 1.84 0.00 9 R 8.30 4.36 0.00 1.79 2.21 0.00 3.41 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 10 W 7.26 5.70 0.00 3.45 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 11 R 9.15 4.18 0.00 1.77 1.74 0.00 2.92 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 12 L 8.94 5.03 0.00 1.78 1.70 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.40 4.28 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 0.72 0.00 0.00 0.93 0.00 0.00 14 P 0.00 4.44 0.00 2.19 2.04 0.00 3.62 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 15 R 7.97 3.79 0.00 1.79 1.85 0.00 3.19 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 16 G 7.81 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 17 Q 7.38 4.43 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 18 A 8.30 4.66 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 19 V 8.84 4.65 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 0.88 0.00 0.00 0.89 0.00 0.00 20 N 8.64 5.48 0.00 2.66 2.88 0.00 0.00 5.94 7.79 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 21 L 8.81 4.85 0.00 1.23 1.52 0.64 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 22 R 9.20 5.27 0.00 1.85 1.90 0.00 3.04 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 23 C 9.89 5.48 0.00 2.80 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 24 I 8.65 5.05 1.87 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 1.12 0.88 0.90 0.00 0.00 25 L 9.05 4.46 0.00 1.57 1.56 1.08 0.98 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 26 K 9.27 4.37 0.00 1.77 1.85 0.00 1.89 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.37 7.81 27 N 7.99 4.90 0.00 2.75 2.89 0.00 0.00 7.25 7.57 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 28 S 8.70 4.43 0.00 3.90 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 29 Q 8.76 3.97 0.00 1.92 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.88 0.00 0.00 0.00 0.00 0.00 1.41 2.00 0.00 30 Y 7.34 5.12 0.00 2.99 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 30A P 0.00 4.37 0.00 1.99 2.11 0.00 4.02 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 31 W 8.45 4.40 0.00 3.60 3.30 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 32 M 8.64 5.31 0.00 1.71 1.79 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 33 S 8.84 5.31 0.00 4.04 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 34 W 9.18 5.57 0.00 3.24 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 35 Y 9.65 5.10 0.00 3.20 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 36 Q 9.21 5.33 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 37 Q 9.13 5.18 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 38 D 8.86 4.94 0.00 3.01 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 39 L 8.35 4.07 0.00 1.68 1.80 0.95 0.98 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 40 Q 8.09 4.13 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.33 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 41 K 8.43 4.07 0.00 2.21 2.16 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.36 7.81 42 Q 9.09 4.29 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 43 L 8.58 5.04 0.00 1.66 1.79 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.31 4.69 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 45 W 9.07 3.06 0.00 2.92 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 46 L 7.07 3.58 0.00 1.12 0.42 0.11 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.52 4.48 0.00 2.91 2.78 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 48 T 8.91 5.18 4.67 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 1.67 0.00 0.00 49 L 9.06 4.59 0.00 1.42 1.53 0.80 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.63 3.69 0.00 0.67 1.34 0.00 2.52 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 51 S 8.19 4.62 0.00 3.96 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 52 P 0.00 4.41 0.00 2.01 2.11 0.00 3.81 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 1.98 1.94 0.00 53 G 8.90 4.10 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 0.00 54 D 8.65 4.54 0.00 2.62 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 55 K 8.44 5.03 0.00 1.68 1.60 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 56 E 9.55 4.88 0.00 2.13 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 2.54 2.60 0.00 57 V 8.53 5.10 2.16 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 0.78 0.00 0.00 0.99 0.00 0.00 58 K 9.58 4.79 0.00 1.69 1.48 0.00 1.11 0.00 0.00 0.79 0.00 0.00 2.53 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.05 1.24 7.81 59 S 8.83 5.17 0.00 4.19 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 60 L 8.68 4.66 0.00 1.83 1.65 0.90 0.91 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 61 P 0.00 4.38 0.00 2.18 2.08 0.00 3.74 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 2.00 1.97 0.00 62 G 9.98 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.46 4.64 0.69 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 0.00 0.00 64 D 8.95 5.04 0.00 2.48 2.50 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 65 Y 9.27 5.36 0.00 3.23 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 66 L 8.83 5.03 0.00 1.76 1.45 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.99 5.06 0.26 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 68 T 8.38 4.89 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 69 R 9.56 4.40 0.00 1.78 1.88 0.00 3.27 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 70 V 9.14 3.55 2.16 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 0.82 0.00 0.00 0.98 0.00 0.00 71 T 7.29 4.73 4.21 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 1.19 0.00 0.00 72 D 8.70 4.44 0.00 2.65 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 73 T 7.96 4.62 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 1.19 0.00 0.00 74 E 8.37 4.98 0.00 2.02 1.77 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 2.19 2.22 0.00 75 L 9.12 5.10 0.00 1.51 1.16 0.82 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.97 5.49 0.00 1.83 1.82 0.00 3.16 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 77 L 8.72 4.88 0.00 0.46 0.44 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.23 4.98 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 79 V 8.80 4.80 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 0.73 0.00 0.00 0.80 0.00 0.00 80 A 8.33 4.76 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 81 N 8.48 4.14 0.00 2.85 2.83 0.00 0.00 6.87 7.66 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 82 M 8.11 5.03 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 83 S 8.48 4.46 0.00 4.01 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 84 Q 7.50 4.51 0.00 1.98 1.96 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 2.25 2.36 0.00 85 G 8.62 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.97 4.64 0.00 2.07 2.06 0.00 2.83 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 87 T 7.97 5.27 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 1.31 0.00 0.00 *90 L 8.29 4.74 0.00 1.64 1.53 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.41 5.39 0.00 3.29 3.13 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 92 C 9.24 5.18 0.00 2.84 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 93 T 8.91 5.65 3.75 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 0.12 0.00 0.00 94 C 8.27 5.50 0.00 3.29 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 95 S 9.43 5.36 0.00 3.94 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 96 A 9.06 4.35 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 97 D 7.34 4.39 0.00 2.56 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 0.00 0.00 0.00 0.00 98 R 7.52 2.58 0.00 0.67 1.39 0.00 3.17 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.00 99 V 7.05 4.15 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 0.79 0.00 0.00 0.78 0.00 0.00 100 G 8.36 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 *103 N 7.89 5.45 0.00 2.73 2.88 0.00 0.00 7.27 7.54 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 *105 T 8.11 4.03 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 0.60 0.00 0.00 106 L 8.10 4.66 0.00 1.35 1.33 0.96 0.81 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 0.00 107 Y 8.62 4.82 0.00 2.78 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 0.00 108 F 9.20 4.62 0.00 2.92 3.07 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 0.00 109 G 9.17 4.10 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 0.00 110 E 9.11 4.43 0.00 2.05 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 2.37 2.39 0.00 111 G 8.76 3.55 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 0.00 0.00 0.00 112 S 8.47 4.76 0.00 3.72 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 0.00 113 R 9.21 4.36 0.00 1.93 2.01 0.00 3.10 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 114 L 8.74 4.90 0.00 1.80 1.61 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.95 4.69 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.94 0.91 0.00 0.00 116 V 8.22 3.97 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 0.80 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.