NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4706 8.3349 115.4127 58.0042 63.1554 171.7192 3 I 4.3634 7.7909 126.9949 57.9495 40.3461 174.1335 4 P 4.4501 0.0000 0.0000 62.5070 34.0665 177.2371 5 E 4.0327 8.8626 120.2366 59.4428 29.3609 179.0905 6 D 4.4124 8.0688 118.9892 56.1671 40.0636 177.8113 7 Y 4.0116 8.0617 117.9441 60.8052 37.9750 177.3421 8 Q 4.0128 8.3849 119.0738 59.4137 28.7272 179.5707 9 A 3.9966 7.8909 119.5629 54.6107 18.6853 178.1123 10 R 4.4064 7.7321 114.3339 56.1318 31.7370 176.0516 11 L 4.7586 8.0608 123.3057 54.7304 42.6609 175.9399 12 Q 4.7859 9.2307 125.4840 53.5357 31.4611 175.3670 13 P 4.3883 0.0000 0.0000 64.7872 31.7482 176.5946 14 N 5.0386 7.7809 113.0131 50.7938 41.6888 173.8944 15 R 3.3092 7.7206 120.7737 55.9370 30.3803 176.2895 16 V 4.3009 7.7278 118.0559 58.6608 34.3725 174.8747 17 E 3.8730 8.4865 121.8151 58.3995 29.4656 177.3548 18 G 3.8498 8.9174 113.7237 45.2284 0.0000 172.5886 19 S 4.9434 7.2781 113.5190 56.7253 65.7904 173.0852 20 Y 4.9554 8.3509 116.7784 55.2139 42.3647 173.2712 21 P 4.3925 0.0000 0.0000 62.8663 32.9665 174.5747 22 L 4.8539 8.6242 126.1052 53.7061 43.7579 175.4493 23 V 4.8910 8.7156 119.7100 59.6537 35.2925 174.7858 24 R 4.6398 8.5249 123.2381 54.4368 33.9767 173.9611 *26 E 4.6245 8.4025 118.2938 56.2109 31.3327 175.1681 27 F 5.1766 9.4610 122.7696 56.0015 42.4239 174.9425 28 T 4.9148 8.9270 112.3805 59.9041 71.8762 174.5175 29 G 3.7438 8.6298 108.5004 47.1505 0.0000 174.4148 30 A 4.2195 7.6761 121.9855 54.2195 19.0636 178.2539 31 T 4.2652 7.5655 113.2128 63.4861 68.9789 174.9240 32 V 3.5714 8.4053 126.5377 63.6049 32.2786 175.9724 33 D 4.8097 8.8310 127.2035 53.6763 40.0540 174.7231 34 A 4.6819 8.0262 125.3212 50.1028 22.6008 175.4328 35 P 4.7032 0.0000 0.0000 62.1055 29.7052 178.2694 36 L 4.5561 7.7911 123.1707 56.0269 41.8785 179.8030 *38 S 4.4134 8.2723 116.3386 58.8907 65.0156 176.5089 39 Q 3.9944 8.2757 119.4187 58.9265 28.4766 178.8654 40 I 4.1405 8.1538 114.0877 63.8144 37.5614 178.4789 41 S 4.9477 7.9753 118.2140 60.9478 62.4588 176.5190 42 R 3.9399 7.5626 119.2267 59.0810 30.2427 178.9042 43 K 3.8720 8.1252 117.0866 58.3563 31.9411 177.6179 44 Y 4.6459 7.1388 113.2788 57.0272 38.9559 175.1405 45 N 4.2965 8.0912 114.9419 54.6266 35.8832 174.1489 46 I 4.6780 7.3255 118.0865 59.8914 40.0886 176.0160 47 D 4.8145 9.0082 127.4337 53.1923 42.1205 176.1635 48 V 4.1892 8.4587 125.3012 61.9811 32.0172 175.7539 49 S 4.6178 9.1583 125.6743 57.0240 62.6951 172.5480 50 I 4.1874 8.2031 128.1470 61.3378 37.0911 175.6685 51 L 4.4971 8.7340 127.7480 56.3474 42.5374 177.2908 52 S 4.6308 7.6861 109.5408 57.3884 65.6267 173.0724 53 S 4.6385 8.1240 114.9146 57.5298 65.5393 174.0227 54 D 4.7294 8.2150 123.0450 51.8303 39.1409 173.8525 55 L 4.6708 7.3882 120.6076 54.0750 44.2185 176.6396 56 D 4.6964 8.4572 121.1471 52.7167 45.3365 173.3688 57 Y 5.1887 8.3641 121.6798 55.9354 41.8335 173.9135 58 A 4.6705 9.1160 128.6529 51.8768 22.5345 175.5761 59 G 4.0486 9.7414 107.2004 46.6624 0.0000 174.6727 60 G 3.8758 8.4014 104.5397 44.0374 0.0000 174.0118 61 V 4.2829 7.1763 119.2525 60.5208 34.8641 174.0496 62 K 5.1937 8.6601 128.7652 55.0431 33.4252 175.2183 63 F 5.0928 8.9945 121.3552 55.5975 41.5753 173.1504 64 G 4.0781 8.4988 107.1501 45.5643 0.0000 172.5870 *67 V 4.3648 8.1081 122.2456 62.8832 33.0380 175.0608 68 A 4.9839 8.6937 127.6079 50.6191 23.2285 174.1937 69 E 4.6969 9.1502 121.9482 54.7434 31.7144 174.8933 70 L 4.8848 8.5792 127.7537 53.4435 42.9565 175.9878 71 F 4.2733 9.0287 124.8987 56.5609 40.3206 176.1918 72 G 4.3748 8.3653 111.9010 44.8283 0.0000 172.0394 73 N 4.8916 8.0611 117.9676 51.4047 40.6308 175.2466 74 E 4.0784 8.5333 120.0081 59.4620 29.6404 178.2670 75 Q 3.9693 8.0858 119.0323 59.3505 29.1687 177.8924 76 D 4.4310 9.0410 120.5203 57.4170 40.8658 178.5158 77 D 4.3609 8.7607 120.0910 56.4412 39.4387 178.7474 78 S 4.0561 8.2158 116.3712 61.3763 62.8418 176.4837 79 A 3.8093 7.9314 123.1518 54.9642 18.0355 179.6150 80 A 3.3374 7.7036 119.2998 55.0895 18.4018 179.9530 81 I 3.6630 7.8280 118.4722 64.6451 37.1244 178.6057 82 E 3.9693 8.2216 119.4118 59.1488 29.3651 178.6894 83 Y 4.0573 8.0983 119.8910 60.6936 38.8903 178.1984 84 L 3.9960 8.1835 119.8466 57.9636 41.7541 179.7561 85 R 4.1460 8.1035 119.4181 58.6718 29.7305 178.7471 86 E 3.9740 8.3775 118.7202 58.6065 29.7042 177.4953 87 N 4.6469 7.6078 114.9884 52.1538 38.6464 174.8721 88 N 4.2840 7.7426 115.9968 54.2582 36.5918 174.2214 89 V 3.8414 7.5054 118.0734 61.9834 33.0192 174.9058 90 K 4.3471 8.2190 128.0090 55.9238 32.7454 176.4334 91 V 4.4126 8.3213 124.9556 61.0933 33.7703 174.1927 92 E 4.4859 8.9622 128.2030 54.7021 31.4433 175.5698 93 V 3.9810 8.3151 125.6921 62.0260 30.9272 175.5263 94 L 4.0499 8.9838 130.2888 55.4184 42.3800 177.9368 95 G 3.7500 6.4846 104.7018 45.5806 0.0000 169.4816 96 Y 4.9839 8.3808 116.7534 56.0600 41.3642 175.4054 97 V 4.5640 9.1015 124.5070 61.5901 33.2320 175.5137 98 L 4.4051 8.5296 129.5415 55.1634 41.6078 175.8624 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 S 8.33 4.47 0.00 3.99 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 3 I 7.79 4.36 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.30 0.93 0.00 0.00 4 P 0.00 4.45 0.00 2.39 2.07 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 5 E 8.86 4.03 0.00 2.21 2.24 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 2.39 2.39 0.00 6 D 8.07 4.41 0.00 2.73 2.81 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 7 Y 8.06 4.01 0.00 3.27 3.08 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 8 Q 8.38 4.01 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 9 A 7.89 4.00 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 10 R 7.73 4.41 0.00 1.88 1.95 0.00 3.28 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 11 L 8.06 4.76 0.00 1.86 1.69 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 9.23 4.79 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 13 P 0.00 4.39 0.00 2.08 2.15 0.00 3.65 0.00 0.00 3.69 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 14 N 7.78 5.04 0.00 2.63 2.58 0.00 0.00 6.85 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 15 R 7.72 3.31 0.00 0.67 1.32 0.00 2.88 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.00 16 V 7.73 4.30 2.02 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 0.67 0.00 0.00 0.93 0.00 0.00 17 E 8.49 3.87 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 2.27 2.36 0.00 18 G 8.92 3.85 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 0.00 0.00 0.00 19 S 7.28 4.94 0.00 4.01 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 20 Y 8.35 4.96 0.00 2.85 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 P 0.00 4.39 0.00 2.02 2.10 0.00 4.04 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 2.11 2.31 0.00 22 L 8.62 4.85 0.00 1.72 1.47 0.78 0.75 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 23 V 8.72 4.89 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 0.67 0.00 0.00 0.97 0.00 0.00 24 R 8.52 4.64 0.00 1.81 1.89 0.00 3.12 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 *26 E 8.40 4.62 0.00 1.93 1.91 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 2.33 2.34 0.00 27 F 9.46 5.18 0.00 2.92 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 28 T 8.93 4.91 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 1.24 0.00 0.00 29 G 8.63 3.74 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 0.00 0.00 0.00 30 A 7.68 4.22 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 31 T 7.57 4.27 4.48 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 0.00 0.00 0.00 1.37 0.00 0.00 32 V 8.41 3.57 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 0.70 0.00 0.00 0.94 0.00 0.00 33 D 8.83 4.81 0.00 2.77 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 34 A 8.03 4.68 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 35 P 0.00 4.70 0.00 2.27 2.25 0.00 3.77 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 2.12 2.01 0.00 36 L 7.79 4.56 0.00 1.96 1.94 1.04 1.01 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 *38 S 8.27 4.41 0.00 4.10 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 39 Q 8.28 3.99 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 40 I 8.15 4.14 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.70 1.15 0.00 0.00 41 S 7.98 4.95 0.00 4.08 3.97 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 42 R 7.56 3.94 0.00 1.75 1.89 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 43 K 8.13 3.87 0.00 0.96 0.74 0.00 1.13 0.00 0.00 1.14 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.14 1.27 7.81 44 Y 7.14 4.65 0.00 3.12 3.04 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 45 N 8.09 4.30 0.00 2.93 2.93 0.00 0.00 6.96 7.45 0.00 0.00 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 I 7.33 4.68 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.99 0.00 0.00 47 D 9.01 4.81 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.46 4.19 2.13 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 0.80 0.00 0.00 1.00 0.00 0.00 49 S 9.16 4.62 0.00 4.27 4.18 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 50 I 8.20 4.19 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.89 0.00 0.00 51 L 8.73 4.50 0.00 1.45 1.51 -0.17 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.69 4.63 0.00 3.90 3.74 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 53 S 8.12 4.64 0.00 3.76 3.66 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 54 D 8.22 4.73 0.00 2.79 2.71 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 55 L 7.39 4.67 0.00 1.38 1.42 0.57 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.46 4.70 0.00 2.28 1.54 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 0.00 57 Y 8.36 5.19 0.00 3.10 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 58 A 9.12 4.67 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 59 G 9.74 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 60 G 8.40 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 0.00 0.00 0.00 61 V 7.18 4.28 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 0.91 0.00 0.00 0.83 0.00 0.00 62 K 8.66 5.19 0.00 2.05 1.80 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.33 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 1.44 7.81 63 F 8.99 5.09 0.00 3.20 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 64 G 8.50 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 *67 V 8.11 4.36 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 0.94 0.00 0.00 0.90 0.00 0.00 68 A 8.69 4.98 1.24 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 0.00 0.00 0.00 69 E 9.15 4.70 0.00 1.96 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 1.47 2.14 0.00 70 L 8.58 4.88 0.00 1.54 1.64 0.93 0.76 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 71 F 9.03 4.27 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.37 4.37 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 0.00 73 N 8.06 4.89 0.00 3.05 3.05 0.00 0.00 5.62 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 74 E 8.53 4.08 0.00 2.03 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 2.37 2.36 0.00 75 Q 8.09 3.97 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 76 D 9.04 4.43 0.00 2.96 2.98 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 77 D 8.76 4.36 0.00 2.94 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 78 S 8.22 4.06 0.00 4.06 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 79 A 7.93 3.81 1.03 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 0.00 0.00 80 A 7.70 3.34 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 81 I 7.83 3.66 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.88 0.00 0.00 82 E 8.22 3.97 0.00 1.96 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 2.48 2.44 0.00 83 Y 8.10 4.06 0.00 3.18 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 84 L 8.18 4.00 0.00 1.88 1.65 0.96 0.97 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 85 R 8.10 4.15 0.00 1.93 1.93 0.00 3.28 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 86 E 8.38 3.97 0.00 1.93 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 0.00 2.26 2.26 0.00 87 N 7.61 4.65 0.00 2.80 2.68 0.00 0.00 6.90 6.21 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 88 N 7.74 4.28 0.00 2.95 2.86 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 89 V 7.51 3.84 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 0.43 0.00 0.00 0.71 0.00 0.00 90 K 8.22 4.35 0.00 1.63 1.67 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.32 7.81 91 V 8.32 4.41 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 0.77 0.00 0.00 0.85 0.00 0.00 92 E 8.96 4.49 0.00 1.90 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 2.21 2.19 0.00 93 V 8.32 3.98 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 0.47 0.00 0.00 0.88 0.00 0.00 94 L 8.98 4.05 0.00 1.52 1.66 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 95 G 6.48 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 0.00 0.00 0.00 0.00 96 Y 8.38 4.98 0.00 2.99 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 97 V 9.10 4.56 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 1.00 0.00 0.00 1.09 0.00 0.00 98 L 8.53 4.41 0.00 1.69 1.52 0.99 0.74 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 * Residues marked with a * may have inaccurate shift predictions.