NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7619 8.3544 109.7364 45.3221 0.0000 175.6083 *2 S 4.1619 8.5679 118.6903 58.1764 62.9064 173.5573 3 T 4.4411 8.1403 115.7677 61.8309 69.2313 176.4614 4 Q 3.9385 7.7046 121.8031 59.4275 28.7572 178.6318 5 E 3.9308 8.0155 118.8983 59.4851 29.6455 178.9393 6 N 4.2941 8.0489 116.0614 56.2809 38.5925 177.4925 7 V 3.4922 8.0028 119.8882 65.9204 31.6010 177.8959 8 Q 3.8421 8.0145 119.3736 59.0686 28.8837 178.1959 9 I 3.6391 7.7879 120.9080 64.3546 37.1831 178.5938 10 V 3.3123 7.7539 118.9564 65.8196 31.3805 178.1204 11 K 3.9713 8.1515 118.6285 59.7246 31.8136 179.0646 12 D 4.4011 8.6613 119.2829 56.9261 40.3886 178.7027 13 F 4.0927 7.7327 120.7022 61.4904 39.5597 177.1246 14 F 4.5153 7.3205 115.1317 60.1552 38.9498 177.3743 15 A 4.2304 8.1201 120.6067 54.9222 18.3181 180.6591 16 A 4.1331 8.1423 119.3873 52.3622 18.4189 179.8169 *18 G 3.9293 8.2431 114.5264 47.8653 0.0000 176.3404 19 R 3.9606 7.9059 117.4428 57.1394 29.4742 179.6107 20 G 3.9060 8.1460 103.3045 47.4773 0.0000 174.9388 21 D 4.6654 8.4289 123.6578 52.9953 38.7819 176.1976 *22 K 3.9275 8.4319 130.7997 60.5897 31.7411 178.9476 *23 K 4.3327 8.0268 123.8607 59.3753 31.9865 181.3262 24 G 3.9689 8.0151 106.6802 47.2707 0.0000 175.4165 25 L 3.9351 8.7658 124.3464 57.9285 42.1022 178.9998 26 L 4.1332 8.0986 118.1143 57.0174 41.3842 179.0627 27 A 4.1799 7.7014 119.6980 54.0707 18.3903 178.4390 28 V 4.2994 7.3902 108.2596 61.0313 32.1070 174.9152 29 S 4.9885 7.7233 116.4821 56.1693 65.0049 174.2529 30 A 4.2255 8.8482 128.8470 52.1165 18.8545 178.3492 31 E 3.8432 8.8783 120.3067 58.8160 29.7445 178.1860 32 D 4.8293 7.8144 116.5618 52.7422 40.1082 175.9736 33 I 3.9761 7.5172 120.4663 62.6080 39.1541 173.9362 34 E 5.1460 8.9734 129.2519 54.1213 32.5630 174.1597 35 W 5.3277 9.4009 135.0000 55.9060 33.8108 173.6170 36 I 4.8930 9.0705 129.3713 59.8395 38.9165 174.9330 37 I 4.8457 8.7344 128.1078 58.8766 40.1072 174.0038 38 P 4.7403 0.0000 0.0000 62.4399 33.1083 175.6479 39 G 3.8743 9.2607 104.9623 44.4303 0.0000 173.0978 40 E 4.6011 8.3620 117.0013 54.3381 31.0770 174.3292 41 W 4.8103 7.8975 118.3827 55.5474 30.5197 174.1482 42 P 4.0187 0.0000 0.0000 65.1540 30.6817 177.5108 43 L 3.8400 5.9807 114.6542 53.9934 42.0151 176.6323 44 A 3.9107 6.5372 122.7656 52.2051 18.8896 177.3407 45 G 3.8916 7.5957 107.5070 43.8040 0.0000 171.9649 46 T 4.8522 7.9012 116.9806 62.2378 70.0416 174.2682 47 H 4.7566 9.2445 125.1086 54.2928 30.6215 174.2430 48 R 4.9332 8.8111 122.6466 55.4832 32.6061 177.1925 49 G 4.1887 9.3728 108.9652 43.7263 0.0000 174.0888 50 H 4.2908 8.7539 115.3544 58.6894 28.5555 178.0387 51 A 3.9902 8.0634 121.8869 55.2035 18.2387 179.3672 52 A 3.9121 7.9984 118.8066 55.0266 18.4959 179.3568 53 L 3.8678 8.1525 118.6475 58.2949 42.2320 179.0936 54 A 3.9512 8.1682 120.3870 55.1935 18.2894 179.4318 55 A 3.8972 8.1581 119.4206 55.0626 18.3309 179.6282 56 L 3.5998 7.9909 118.9632 58.2756 42.1402 179.2428 57 L 3.8842 7.7436 118.8845 57.6520 41.5936 179.4203 58 Q 3.8736 8.1161 119.5298 59.0634 28.8424 178.1178 59 K 3.8669 8.0964 119.5618 59.2635 32.2576 178.2369 60 A 4.0893 7.9842 120.7872 55.2428 18.4159 179.3829 61 S 4.2584 7.8014 111.4054 61.5913 62.9090 175.8034 62 E 4.1582 7.5682 118.9082 56.0813 29.4282 176.6293 *64 V 4.1923 7.1097 118.0933 61.7370 32.9527 174.4354 65 E 4.6480 9.0879 122.9386 54.8946 31.3273 174.8296 66 I 4.7668 8.2577 124.0344 59.1864 41.2592 174.4034 67 S 4.5533 8.7550 124.0975 56.8241 67.4795 172.8322 68 Y 4.9998 8.3592 120.9899 55.5268 39.1727 174.5770 69 P 4.2415 0.0000 0.0000 64.8514 31.7666 176.6556 70 E 4.8534 7.5052 114.3469 53.1294 33.1837 173.6981 71 P 4.4641 0.0000 0.0000 62.0814 32.0160 174.3742 72 P 4.4848 0.0000 0.0000 62.6959 32.8103 174.4835 73 E 4.6330 8.6221 121.1630 54.5985 31.7009 174.2898 74 F 5.1548 8.8645 124.6390 55.6729 41.5627 174.9150 75 V 4.4804 9.0999 123.8778 61.0521 33.8841 173.9653 76 A 5.3032 8.6035 129.1681 50.2858 21.8640 174.9477 77 Q 4.4549 9.1760 122.0319 55.8665 33.5692 173.8042 78 G 3.7461 8.3036 113.7726 47.2961 0.0000 174.0882 79 E 4.4044 8.7492 123.1539 55.9468 30.1140 175.0520 80 R 5.0936 8.0864 119.7167 54.7834 33.0169 175.3799 81 V 4.7515 8.8468 122.6383 61.3034 34.6959 173.9060 82 L 5.1085 9.2578 129.0592 53.2882 43.8415 175.6562 83 V 4.4939 9.1431 124.7012 61.1594 33.6771 174.3186 84 V 4.4721 8.4895 128.7773 61.2370 33.8117 174.7912 85 G 3.2242 7.2292 114.1709 45.2029 0.0000 170.7052 86 F 5.3083 8.2050 120.3825 56.6201 42.4204 174.0101 87 A 4.9495 8.7727 126.9708 50.1909 22.8191 174.7586 88 T 4.5022 8.2515 109.7758 60.0594 72.2764 173.2833 89 G 3.6865 7.6437 109.4369 45.3315 0.0000 171.4734 90 R 5.1229 8.6406 119.3935 54.5260 33.8962 173.8967 91 V 4.3051 8.9243 126.9931 62.1042 32.1257 176.9783 92 K 4.0224 8.9697 128.3624 59.5245 32.2782 178.5827 93 S 4.3172 8.1468 112.5284 60.5202 63.3315 174.8693 94 T 4.2233 7.8370 108.6528 60.6338 69.6819 174.5673 95 N 4.2872 8.3333 119.0133 54.2028 38.2390 173.4696 96 R 4.5322 7.7922 115.9626 55.7623 31.5370 176.0105 97 T 5.0464 8.3890 113.1191 60.8137 71.2261 173.2708 98 F 4.9801 8.1197 116.2148 56.1015 41.6782 172.6327 99 E 4.9611 8.7660 117.8907 54.7575 33.3767 175.4083 100 D 4.6610 8.4808 121.7842 53.2458 44.7653 173.7236 101 D 5.3460 9.0138 126.9584 53.4662 41.7954 175.9329 102 W 5.6852 8.7119 120.1565 54.7751 32.4117 174.2031 103 V 5.2121 9.3584 120.4071 61.4311 34.6267 174.0689 104 F 5.4619 10.0836 126.6352 56.0254 41.2533 174.4364 105 A 5.0376 9.2690 127.2639 50.6544 20.5077 175.5684 106 I 4.9070 8.8074 123.5263 60.1076 40.8064 174.9722 107 T 4.9721 8.7407 122.5612 61.7343 71.1600 173.2283 108 V 4.7692 8.6128 126.5491 61.1520 33.8281 175.1890 109 R 4.6033 8.5366 125.6025 55.6536 33.9506 175.2536 110 K 3.9368 9.5373 119.3278 57.8017 29.7124 175.8571 111 S 3.9103 8.4430 109.4911 59.0231 60.5454 171.2659 112 K 4.7033 7.7583 119.4122 54.0608 35.2467 175.7257 113 V 3.9892 8.6608 123.9431 63.5541 31.9180 176.2069 114 T 4.4658 9.0270 118.4338 62.5958 71.5093 174.6449 115 S 5.1186 7.6921 116.4764 56.7676 67.7043 173.2940 116 I 4.8906 8.9102 124.1609 59.4319 41.0838 174.3206 117 R 4.8992 8.8511 126.1712 54.5865 32.9890 173.9083 118 E 4.7507 8.7833 126.1877 55.6677 31.2239 175.5545 119 Y 4.8218 9.4352 121.2715 56.3655 40.8237 174.8004 120 I 5.1021 8.2945 116.6400 58.4380 41.8097 176.2980 121 D 4.6158 9.6354 122.8551 53.3526 38.9360 176.2198 122 T 3.5965 7.9197 115.6614 63.9307 69.0981 176.0704 123 L 3.7756 7.8161 122.4179 57.8533 42.1001 178.6381 124 A 3.8736 7.8187 120.1359 55.2626 18.3674 179.6919 125 L 3.2122 7.4232 117.1670 57.1630 41.3608 179.5909 126 A 3.7321 7.4983 122.2702 54.4117 18.3246 179.7952 127 R 3.6903 7.4442 116.2012 59.4634 29.9683 179.3139 128 A 4.0867 7.8590 119.3553 54.4394 18.7174 178.6976 129 T 4.3191 7.6342 106.2955 60.6790 69.0566 174.6391 130 N 4.2487 8.4176 118.2671 55.1015 37.8460 173.6697 131 F 3.8173 8.3307 111.7639 58.1482 36.5448 175.9802 132 N 4.5867 7.7472 119.6798 52.7795 36.9919 175.1385 133 A 4.3048 8.3827 126.3201 53.6208 18.9976 177.7946 134 T 4.1345 7.8044 117.3388 63.4973 68.6101 174.6392 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 G 8.35 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 *2 S 8.57 4.16 0.00 3.86 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 3 T 8.14 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 1.29 0.00 0.00 4 Q 7.70 3.94 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 5 E 8.02 3.93 0.00 2.03 1.96 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 2.38 2.43 0.00 6 N 8.05 4.29 0.00 2.84 2.83 0.00 0.00 6.74 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 7 V 8.00 3.49 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 0.65 0.00 0.00 0.95 0.00 0.00 8 Q 8.01 3.84 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 9 I 7.79 3.64 1.96 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 1.37 0.82 0.84 0.00 0.00 10 V 7.75 3.31 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 0.92 0.00 0.00 0.87 0.00 0.00 11 K 8.15 3.97 0.00 1.81 1.77 0.00 1.41 0.00 0.00 1.44 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.99 7.81 12 D 8.66 4.40 0.00 2.80 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 13 F 7.73 4.09 0.00 2.87 2.82 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 14 F 7.32 4.52 0.00 3.14 2.94 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 15 A 8.12 4.23 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.14 4.13 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 *18 G 8.24 3.93 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 0.00 0.00 0.00 19 R 7.91 3.96 0.00 1.88 1.87 0.00 3.35 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 20 G 8.15 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.43 4.67 0.00 2.75 2.57 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 0.00 0.00 0.00 0.00 *22 K 8.43 3.93 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.11 7.81 *23 K 8.03 4.33 0.00 1.85 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.08 7.81 24 G 8.02 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 0.00 0.00 0.00 25 L 8.77 3.94 0.00 1.66 1.87 0.33 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.10 4.13 0.00 1.72 1.52 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.70 4.18 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 28 V 7.39 4.30 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 0.79 0.00 0.00 1.18 0.00 0.00 29 S 7.72 4.99 0.00 4.03 3.90 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 30 A 8.85 4.23 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 31 E 8.88 3.84 0.00 2.11 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 2.40 1.87 0.00 32 D 7.81 4.83 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 33 I 7.52 3.98 2.09 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 1.26 1.58 1.10 0.00 0.00 34 E 8.97 5.15 0.00 2.12 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 2.23 2.25 0.00 35 W 9.40 5.33 0.00 3.45 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 36 I 9.07 4.89 1.86 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 1.25 0.55 0.88 0.00 0.00 37 I 8.73 4.85 1.90 0.00 0.00 0.41 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 0.78 1.05 0.00 0.00 38 P 0.00 4.74 0.00 2.09 2.03 0.00 3.85 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 2.02 2.04 0.00 39 G 9.26 3.87 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 0.00 0.00 0.00 40 E 8.36 4.60 0.00 2.10 1.97 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 2.36 2.35 0.00 41 W 7.90 4.81 0.00 3.41 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 42 P 0.00 4.02 0.00 1.91 2.21 0.00 3.86 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 2.06 2.22 0.00 43 L 5.98 3.84 0.00 0.27 0.95 0.71 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 44 A 6.54 3.91 1.19 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 0.00 0.00 0.00 45 G 7.60 3.89 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 0.00 0.00 0.00 46 T 7.90 4.85 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 1.22 0.00 0.00 47 H 9.24 4.76 0.00 3.00 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.81 4.93 0.00 1.66 1.84 0.00 3.22 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 49 G 9.37 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 0.00 0.00 0.00 0.00 50 H 8.75 4.29 0.00 3.20 3.39 0.00 5.65 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 51 A 8.06 3.99 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 52 A 8.00 3.91 1.40 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 0.00 0.00 0.00 53 L 8.15 3.87 0.00 2.04 2.00 1.39 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.17 3.95 1.40 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 0.00 0.00 0.00 55 A 8.16 3.90 1.35 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 0.00 0.00 56 L 7.99 3.60 0.00 1.34 1.58 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.74 3.88 0.00 1.83 1.67 0.93 0.56 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 58 Q 8.12 3.87 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 59 K 8.10 3.87 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.37 7.81 60 A 7.98 4.09 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 61 S 7.80 4.26 0.00 4.05 4.14 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 0.00 0.00 0.00 0.00 62 E 7.57 4.16 0.00 2.14 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 0.00 2.33 2.41 0.00 *64 V 7.11 4.19 2.25 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 0.87 0.00 0.00 1.26 0.00 0.00 65 E 9.09 4.65 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 2.23 2.23 0.00 66 I 8.26 4.77 1.85 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 0.50 0.70 0.89 0.00 0.00 67 S 8.76 4.55 0.00 3.54 3.59 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 0.00 0.00 0.00 0.00 68 Y 8.36 5.00 0.00 2.94 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 69 P 0.00 4.24 0.00 2.28 2.27 0.00 4.13 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 70 E 7.51 4.85 0.00 2.02 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 2.26 2.34 0.00 71 P 0.00 4.46 0.00 2.25 2.13 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 72 P 0.00 4.48 0.00 1.66 1.96 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 73 E 8.62 4.63 0.00 1.96 1.67 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 2.19 2.26 0.00 74 F 8.86 5.15 0.00 2.97 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 75 V 9.10 4.48 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 0.87 0.00 0.00 0.93 0.00 0.00 76 A 8.60 5.30 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 77 Q 9.18 4.45 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.76 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 78 G 8.30 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 79 E 8.75 4.40 0.00 2.37 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 0.00 2.31 2.31 0.00 80 R 8.09 5.09 0.00 1.88 1.87 0.00 3.39 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 81 V 8.85 4.75 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 1.29 0.00 0.00 0.95 0.00 0.00 82 L 9.26 5.11 0.00 1.77 1.60 0.96 0.61 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 83 V 9.14 4.49 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 0.73 0.00 0.00 1.20 0.00 0.00 84 V 8.49 4.47 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 0.81 0.00 0.00 0.86 0.00 0.00 85 G 7.23 3.22 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 0.00 86 F 8.20 5.31 0.00 2.81 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 87 A 8.77 4.95 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.25 4.50 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 1.20 0.00 0.00 89 G 7.64 3.69 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 0.00 90 R 8.64 5.12 0.00 1.73 1.80 0.00 3.26 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 91 V 8.92 4.31 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 1.02 0.00 0.00 1.08 0.00 0.00 92 K 8.97 4.02 0.00 1.81 1.87 0.00 2.03 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.45 7.81 93 S 8.15 4.32 0.00 4.00 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 0.00 94 T 7.84 4.22 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 1.29 0.00 0.00 95 N 8.33 4.29 0.00 2.86 2.95 0.00 0.00 7.17 7.63 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 96 R 7.79 4.53 0.00 2.06 1.87 0.00 3.37 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 97 T 8.39 5.05 4.14 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 0.00 0.00 0.00 1.17 0.00 0.00 98 F 8.12 4.98 0.00 3.07 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 99 E 8.77 4.96 0.00 1.94 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 2.08 2.27 0.00 100 D 8.48 4.66 0.00 2.92 2.67 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 0.00 101 D 9.01 5.35 0.00 2.72 2.65 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 0.00 102 W 8.71 5.69 0.00 3.70 3.45 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 0.00 0.00 0.00 0.00 103 V 9.36 5.21 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 1.20 0.00 0.00 0.95 0.00 0.00 104 F 10.08 5.46 0.00 3.15 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 0.00 105 A 9.27 5.04 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.81 4.91 2.00 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 1.14 0.93 0.73 0.00 0.00 107 T 8.74 4.97 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 1.23 0.00 0.00 108 V 8.61 4.77 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 0.83 0.00 0.00 0.84 0.00 0.00 109 R 8.54 4.60 0.00 1.84 1.72 0.00 3.31 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 110 K 9.54 3.94 0.00 1.86 1.86 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.38 7.81 111 S 8.44 3.91 0.00 4.02 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 0.00 112 K 7.76 4.70 0.00 1.84 1.73 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 113 V 8.66 3.99 1.66 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 0.42 0.00 0.00 0.46 0.00 0.00 114 T 9.03 4.47 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 1.27 0.00 0.00 115 S 7.69 5.12 0.00 3.71 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 0.00 116 I 8.91 4.89 1.31 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.45 0.11 0.00 0.00 117 R 8.85 4.90 0.00 1.81 1.73 0.00 3.01 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.45 0.00 118 E 8.78 4.75 0.00 1.81 1.76 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 1.47 2.26 0.00 119 Y 9.44 4.82 0.00 3.00 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 0.00 120 I 8.29 5.10 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.57 1.23 0.00 0.00 121 D 9.64 4.62 0.00 2.76 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 0.00 122 T 7.92 3.60 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 1.23 0.00 0.00 123 L 7.82 3.78 0.00 1.76 1.81 0.97 1.00 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 0.00 124 A 7.82 3.87 1.34 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 0.00 0.00 125 L 7.42 3.21 0.00 0.71 0.26 -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.50 3.73 0.60 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 0.00 0.00 127 R 7.44 3.69 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 128 A 7.86 4.09 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 0.00 129 T 7.63 4.32 4.31 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 1.31 0.00 0.00 130 N 8.42 4.25 0.00 2.96 3.00 0.00 0.00 7.17 6.58 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 0.00 131 F 8.33 3.82 0.00 3.17 3.22 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 0.00 132 N 7.75 4.59 0.00 3.07 2.78 0.00 0.00 7.14 8.03 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 0.00 133 A 8.38 4.30 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 0.00 134 T 7.80 4.13 4.35 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.