NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0257 8.0549 120.3897 62.5547 32.7031 174.4983 2 L 4.4324 8.2542 126.4249 51.9265 43.0702 176.0013 3 S 4.5196 9.8436 120.5248 57.1337 66.4846 173.4421 4 P 4.2652 0.0000 0.0000 65.4671 30.9618 178.9024 5 A 4.0002 7.9285 119.4205 55.0991 18.2606 179.2135 6 D 4.5904 7.8754 118.2514 57.0572 40.9354 179.1237 7 K 3.8886 7.9138 118.5253 59.7283 31.9067 179.6206 8 T 3.8463 7.8655 115.8848 66.6368 68.3581 176.5519 9 N 4.2994 8.2118 118.3990 56.3525 38.6062 177.6327 10 V 3.5141 7.9873 119.8442 65.8779 31.4120 178.2967 11 K 3.9796 8.0023 117.9941 59.3669 31.7002 179.2873 12 A 4.0053 8.1304 120.0155 55.0438 18.2134 179.3090 13 A 4.1418 8.4637 119.7512 55.1835 18.4628 179.7732 14 W 4.2771 8.5669 126.8600 60.2016 29.7265 178.5227 15 G 3.5922 8.0173 106.3091 47.7499 0.0000 175.9976 16 K 4.1789 7.6105 119.3410 58.6711 31.8858 179.5200 17 V 3.7476 7.1715 115.9853 64.3719 31.6890 177.8368 18 G 3.7018 8.1438 106.2734 46.1009 0.0000 176.0357 19 A 3.7891 8.6594 125.8696 55.1071 18.2189 178.5934 20 H 4.1263 7.4688 110.3544 55.9787 29.0769 176.8496 21 A 3.7985 7.4765 124.2908 55.4096 18.0702 180.4487 22 G 3.6019 7.9507 105.8969 48.4899 0.0000 176.3987 23 E 4.0649 7.7641 120.1553 61.0173 29.8033 180.9783 24 Y 4.6696 8.0885 117.4259 60.9661 37.7960 178.4567 25 G 3.6756 8.2622 106.5330 47.6462 0.0000 175.6796 26 A 4.0570 7.9547 122.7184 54.9399 18.3536 179.4028 27 E 3.8716 8.1169 117.6429 59.3104 29.7293 178.7167 28 A 3.9335 8.1395 120.8666 55.2519 18.3824 179.6933 29 L 3.5515 7.7531 119.9290 58.3660 41.5476 180.1465 30 E 4.1370 7.9577 118.1256 61.2123 29.6052 181.3814 31 R 4.0945 8.1573 118.9874 59.1882 30.0348 178.8189 32 M 4.1105 7.8207 118.0538 58.7730 31.9874 178.3200 33 F 4.5779 7.8257 117.9030 60.4820 38.7844 177.8070 34 L 4.0762 7.5760 117.6919 58.1059 41.6839 179.4253 35 S 4.1439 8.1111 113.9312 59.7854 63.9844 174.5728 36 F 4.9535 8.1564 120.8503 53.6306 39.5474 173.2672 37 P 4.6770 0.0000 0.0000 65.1278 30.9816 178.3755 38 T 4.0774 8.1357 109.1991 64.3881 68.5937 175.8871 39 T 4.3858 8.1768 112.1685 63.8311 69.1263 176.4912 40 K 4.1882 8.4332 122.1203 59.0628 31.8516 178.4367 41 T 4.1456 7.6292 108.6133 63.4373 68.8715 175.1553 42 Y 4.1182 7.8380 118.7879 58.1837 39.7611 175.3470 43 F 4.7414 7.8852 118.0587 55.3843 39.1625 174.0805 44 P 4.3103 0.0000 0.0000 65.5620 31.9101 177.8589 45 H 4.6056 8.4980 110.8727 56.3586 28.9818 174.8859 46 F 4.6591 7.6236 119.8027 56.2654 40.1794 175.4448 47 D 4.5851 8.5739 124.6645 53.3571 40.0025 175.3323 48 L 4.4369 8.2142 126.1393 54.5035 41.9032 177.6877 49 S 4.2210 8.3049 115.7068 59.7167 62.8879 175.8952 *50 H 3.3833 6.7592 111.7281 54.3732 30.0006 176.1735 51 G 4.2083 7.5647 110.9123 44.3132 0.0000 174.2648 52 S 4.0854 7.9287 113.0936 58.7715 64.5691 173.7305 53 A 4.0782 8.4887 129.2707 54.9419 18.2324 180.2542 54 Q 3.7085 7.6751 116.9996 58.9473 28.7334 178.8831 55 V 3.8642 7.8208 121.1590 66.8268 31.3904 178.7485 56 K 4.2088 8.0616 122.9678 59.6210 30.9310 181.1098 57 G 3.6902 7.9895 105.4871 48.1000 0.0000 175.4753 58 H 4.5593 8.9599 120.9691 58.6974 29.9059 177.5948 59 G 3.7271 8.4509 110.5019 48.2173 0.0000 176.5677 60 K 4.1026 7.7339 125.6909 59.4366 31.8284 181.7608 61 K 4.1681 7.7632 119.1497 59.3860 32.1513 179.6093 62 V 3.6048 7.9769 118.2363 65.9564 31.4718 177.8930 63 A 4.2871 8.2201 120.5002 55.4639 18.2801 179.3892 64 D 4.4532 8.5749 117.4046 57.4135 40.9831 178.8350 65 A 4.0762 8.0912 121.2638 55.2275 18.4806 179.7379 66 L 3.9527 7.9966 117.1343 58.0995 41.5265 179.8143 67 T 4.0121 8.1796 115.8854 66.5936 68.4572 176.2570 68 N 4.3975 8.3506 118.9642 56.5418 38.7545 176.9057 69 A 4.1116 7.7080 121.2939 54.9597 18.5083 179.4873 70 V 3.4585 7.5099 115.9207 65.8801 31.5904 177.8750 71 A 4.1459 7.7255 120.0629 54.4001 18.7924 178.5882 72 H 4.9104 8.1495 114.9773 55.2324 29.6766 177.1698 73 V 3.8238 7.9339 120.8220 63.9261 31.5391 176.1937 74 D 4.7742 7.9252 118.6117 54.5947 42.0455 175.9494 75 D 4.7825 8.1691 120.3637 52.1218 41.8213 176.5570 76 M 4.0863 8.2610 121.5606 58.1270 32.0589 176.4182 77 P 4.2209 0.0000 0.0000 66.3426 31.2619 179.0431 78 N 4.4969 8.0504 116.2894 57.3193 37.8141 178.6102 79 A 4.3690 8.0465 121.7046 53.7054 18.7380 178.1492 80 L 4.6750 7.7939 116.1599 54.4372 42.4072 178.3339 81 S 4.2466 7.9765 118.4275 60.8018 62.4209 176.6424 82 A 3.9825 7.8908 123.8239 55.1252 18.3702 179.4686 83 L 4.1167 7.8842 116.9493 57.7010 41.7573 179.4834 84 S 4.1520 8.2794 113.5634 61.1512 62.2945 175.6942 85 D 4.2475 7.7850 120.8001 57.2160 41.0111 177.7697 86 L 3.9204 7.6997 120.3098 58.7902 42.1573 178.7627 87 H 4.3033 8.5790 115.7850 58.3126 28.4698 177.6194 88 A 4.1468 7.8743 122.5294 54.9904 19.2652 178.3965 89 H 4.3671 8.2007 111.0928 58.9722 29.0242 177.2348 90 K 4.1514 7.8829 117.6544 59.4241 32.2578 178.9180 91 L 4.0124 8.6619 119.0974 55.8336 42.3837 177.6660 92 R 3.9158 7.9187 115.5597 57.1416 26.9817 176.4825 93 V 3.9380 8.0748 116.9661 62.1082 32.8881 175.0615 94 D 4.5337 8.6155 127.6163 53.5827 41.7719 175.1565 95 P 4.5234 0.0000 0.0000 65.9960 31.0863 178.9991 96 V 3.6982 8.1697 111.1659 64.4135 31.3335 178.2576 97 N 4.2230 8.2425 116.4035 56.1190 38.1697 177.4052 98 F 3.8755 8.2151 119.4084 60.2580 38.9294 177.8556 99 K 4.0133 7.9125 118.3676 59.2548 31.8884 179.4677 100 L 3.7503 7.5182 118.9538 57.5224 41.5983 179.1023 101 L 3.9267 7.9573 120.3660 58.1999 42.0143 179.0789 102 S 4.1738 8.3445 115.4254 61.7607 62.6700 176.2346 103 H 4.1977 8.2333 120.7966 59.7067 29.8676 177.2959 104 C 4.0748 8.0783 118.0370 62.3400 27.8318 175.9696 105 L 3.9881 7.9832 122.4258 57.9477 41.7296 178.8940 106 L 3.9365 7.9086 119.0268 57.7854 41.5080 179.5454 107 V 3.4128 7.7873 118.2482 66.2695 31.2051 178.2302 108 T 3.7293 7.6125 114.9912 66.6125 68.3075 176.7301 109 L 3.5375 7.5698 120.5958 57.4723 41.3127 179.4612 110 A 3.4643 7.1081 119.7460 54.6417 18.2519 179.1606 111 A 3.9993 7.4258 118.2816 54.6942 18.6404 178.6675 112 H 4.5299 7.5859 113.0186 56.0939 30.7132 175.3203 113 L 4.8914 7.8128 120.6506 52.6476 42.2914 176.0059 114 P 4.3290 0.0000 0.0000 65.8453 31.8073 178.0927 115 A 4.1681 8.0147 120.8817 54.9554 18.4943 178.2915 116 E 4.1733 8.1019 113.7515 58.6426 30.4531 177.4329 117 F 4.4845 8.0291 123.1369 57.2567 37.8861 175.3231 118 T 4.2067 7.2671 114.9480 60.5947 71.5055 173.5499 119 P 4.0820 0.0000 0.0000 65.8482 31.2037 178.8252 120 A 3.9306 7.8132 118.9971 55.0359 18.2734 179.7599 121 V 3.4319 7.3406 116.1268 66.1631 31.5626 177.4585 122 H 3.5335 7.8233 117.9540 59.2794 29.5037 176.8441 123 A 3.9765 7.9680 122.2083 55.4420 18.2192 179.8572 124 S 4.2514 7.9077 113.2853 61.6545 62.9078 176.9555 125 L 4.1877 8.3252 122.1509 57.7408 41.4995 178.8623 126 D 4.4436 8.4354 118.1768 57.3849 41.1400 178.6476 127 K 3.9847 7.9622 118.5444 59.3280 32.0993 178.9873 128 F 4.1901 8.4258 121.0114 61.5863 39.3573 177.2768 129 L 3.6634 8.5766 118.3853 57.4226 41.3199 179.4312 130 A 3.9768 7.7797 120.7930 55.0328 18.3480 179.9079 131 S 3.9494 7.8453 113.7979 61.5617 62.9092 176.9657 132 V 3.3519 7.2864 120.8630 66.0944 31.1556 178.1806 133 S 3.7304 7.8636 114.7276 61.8001 62.3967 176.8372 134 T 3.6933 7.4774 117.2958 66.5586 67.9928 176.5520 135 V 3.6848 7.5266 119.9096 65.9313 31.4012 177.8818 136 L 4.1729 7.6848 116.9985 56.4343 41.6048 178.2030 137 T 4.2406 7.1149 107.6849 60.6609 69.6910 174.2882 138 S 4.6693 7.1527 117.5318 56.9756 64.7823 174.2151 139 K 4.2875 8.4723 124.1630 55.4007 31.1319 175.3981 140 Y 4.8505 7.9692 124.8795 56.9623 38.6656 176.9224 141 R 4.2246 7.9074 124.1070 57.0497 30.5137 178.2867 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 8.05 4.03 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 0.98 0.00 0.00 0.91 0.00 0.00 2 L 8.25 4.43 0.00 1.76 1.60 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.84 4.52 0.00 4.03 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 4 P 0.00 4.27 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 5 A 7.93 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 6 D 7.88 4.59 0.00 2.90 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 7 K 7.91 3.89 0.00 1.96 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.74 7.81 8 T 7.87 3.85 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 1.20 0.00 0.00 9 N 8.21 4.30 0.00 2.87 2.85 0.00 0.00 6.71 7.29 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 10 V 7.99 3.51 1.82 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 0.15 0.00 0.00 0.88 0.00 0.00 11 K 8.00 3.98 0.00 2.03 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 12 A 8.13 4.01 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 13 A 8.46 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.57 4.28 0.00 3.50 3.10 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 15 G 8.02 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 0.00 0.00 0.00 16 K 7.61 4.18 0.00 1.94 1.92 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 17 V 7.17 3.75 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.81 0.00 0.00 18 G 8.14 3.70 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 0.00 19 A 8.66 3.79 1.05 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 20 H 7.47 4.13 0.00 2.04 2.36 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.48 3.80 1.17 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 0.00 0.00 0.00 22 G 7.95 3.60 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 0.00 23 E 7.76 4.06 0.00 1.99 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 2.31 1.97 0.00 24 Y 8.09 4.67 0.00 3.02 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 25 G 8.26 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.95 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.12 3.87 0.00 2.04 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 0.00 2.29 2.34 0.00 28 A 8.14 3.93 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 29 L 7.75 3.55 0.00 1.75 1.34 0.97 0.60 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 30 E 7.96 4.14 0.00 2.01 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 2.24 2.23 0.00 31 R 8.16 4.09 0.00 1.94 1.93 0.00 3.03 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 32 M 7.82 4.11 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 33 F 7.83 4.58 0.00 3.11 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 34 L 7.58 4.08 0.00 1.75 1.67 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.14 0.00 2.94 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 36 F 8.16 4.95 0.00 3.16 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 37 P 0.00 4.68 0.00 2.32 2.38 0.00 3.96 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 38 T 8.14 4.08 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 1.29 0.00 0.00 39 T 8.18 4.39 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 1.45 0.00 0.00 40 K 8.43 4.19 0.00 2.04 1.86 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 1.66 7.81 41 T 7.63 4.15 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 1.25 0.00 0.00 42 Y 7.84 4.12 0.00 2.94 2.55 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 43 F 7.89 4.74 0.00 2.82 2.37 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 44 P 0.00 4.31 0.00 2.09 2.12 0.00 3.81 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 2.00 2.18 0.00 45 H 8.50 4.61 0.00 3.41 3.48 0.00 5.51 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.62 4.66 0.00 3.02 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 47 D 8.57 4.59 0.00 2.58 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 48 L 8.21 4.44 0.00 1.52 1.38 0.41 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.30 4.22 0.00 4.06 3.98 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 *50 H 6.76 3.38 0.00 2.98 2.84 0.00 7.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.56 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 0.00 0.00 0.00 0.00 52 S 7.93 4.09 0.00 4.06 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 53 A 8.49 4.08 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 54 Q 7.68 3.71 0.00 1.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 55 V 7.82 3.86 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 1.17 0.00 0.00 1.10 0.00 0.00 56 K 8.06 4.21 0.00 1.83 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 57 G 7.99 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 58 H 8.96 4.56 0.00 3.73 3.56 0.00 5.79 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 59 G 8.45 3.73 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 0.00 0.00 0.00 60 K 7.73 4.10 0.00 1.81 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 61 K 7.76 4.17 0.00 1.97 1.91 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.65 7.81 62 V 7.98 3.60 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 1.06 0.00 0.00 0.97 0.00 0.00 63 A 8.22 4.29 1.58 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 0.00 0.00 64 D 8.57 4.45 0.00 2.90 2.80 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 0.00 0.00 0.00 65 A 8.09 4.08 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 66 L 8.00 3.95 0.00 1.96 1.23 1.01 0.40 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 67 T 8.18 4.01 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 68 N 8.35 4.40 0.00 3.01 3.01 0.00 0.00 7.05 8.08 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 69 A 7.71 4.11 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 70 V 7.51 3.46 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 0.72 0.00 0.00 0.18 0.00 0.00 71 A 7.73 4.15 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 72 H 8.15 4.91 0.00 3.28 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.93 3.82 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 0.71 0.00 0.00 1.00 0.00 0.00 74 D 7.93 4.77 0.00 2.68 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 75 D 8.17 4.78 0.00 2.71 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 76 M 8.26 4.09 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.66 0.00 77 P 0.00 4.22 0.00 2.00 1.57 0.00 3.48 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 78 N 8.05 4.50 0.00 2.82 2.73 0.00 0.00 6.62 7.46 0.00 0.00 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 8.05 4.37 1.27 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 0.00 0.00 0.00 80 L 7.79 4.68 0.00 1.82 1.68 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.98 4.25 0.00 3.91 4.39 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 82 A 7.89 3.98 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 83 L 7.88 4.12 0.00 1.88 1.83 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.28 4.15 0.00 4.00 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 85 D 7.78 4.25 0.00 2.86 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 86 L 7.70 3.92 0.00 1.79 1.83 0.90 1.39 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 87 H 8.58 4.30 0.00 3.53 3.58 0.00 5.85 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 88 A 7.87 4.15 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 89 H 8.20 4.37 0.00 3.33 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.88 4.15 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 91 L 8.66 4.01 0.00 1.60 1.77 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.92 3.92 0.00 1.99 2.01 0.00 3.21 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 93 V 8.07 3.94 2.31 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 0.28 0.00 0.00 0.90 0.00 0.00 94 D 8.62 4.53 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.21 2.06 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 96 V 8.17 3.70 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 0.87 0.00 0.00 1.02 0.00 0.00 97 N 8.24 4.22 0.00 2.62 2.52 0.00 0.00 6.90 8.28 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 98 F 8.22 3.88 0.00 3.28 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 K 7.91 4.01 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 100 L 7.52 3.75 0.00 1.60 1.25 0.55 -0.34 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 0.00 101 L 7.96 3.93 0.00 1.60 1.53 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.34 4.17 0.00 4.07 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 0.00 103 H 8.23 4.20 0.00 3.37 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.08 4.07 0.00 3.05 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 0.00 105 L 7.98 3.99 0.00 1.94 1.88 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.91 3.94 0.00 1.94 1.76 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.79 3.41 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 0.93 0.00 0.00 0.76 0.00 0.00 108 T 7.61 3.73 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 1.08 0.00 0.00 109 L 7.57 3.54 0.00 1.40 1.48 1.16 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.11 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.43 4.00 1.21 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 0.00 0.00 0.00 112 H 7.59 4.53 0.00 2.64 3.26 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.81 4.89 0.00 1.76 1.59 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.33 0.00 2.18 2.28 0.00 3.81 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 1.99 1.95 0.00 115 A 8.01 4.17 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 0.00 116 E 8.10 4.17 0.00 2.06 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 2.34 2.28 0.00 117 F 8.03 4.48 0.00 3.09 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 0.00 118 T 7.27 4.21 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 1.21 0.00 0.00 119 P 0.00 4.08 0.00 2.13 2.11 0.00 3.56 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 2.10 2.15 0.00 120 A 7.81 3.93 1.27 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 0.00 0.00 0.00 121 V 7.34 3.43 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 1.05 0.00 0.00 0.95 0.00 0.00 122 H 7.82 3.53 0.00 2.45 3.20 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 0.00 123 A 7.97 3.98 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.91 4.25 0.00 3.98 3.92 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 0.00 0.00 0.00 125 L 8.33 4.19 0.00 1.93 1.91 1.19 1.31 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 0.00 126 D 8.44 4.44 0.00 3.00 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 0.00 127 K 7.96 3.98 0.00 2.02 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.64 7.81 128 F 8.43 4.19 0.00 3.12 3.31 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 0.00 129 L 8.58 3.66 0.00 1.74 1.67 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.78 3.98 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 0.00 131 S 7.85 3.95 0.00 3.87 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 0.00 132 V 7.29 3.35 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 0.88 0.00 0.00 0.16 0.00 0.00 133 S 7.86 3.73 0.00 3.94 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 0.00 134 T 7.48 3.69 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 1.11 0.00 0.00 135 V 7.53 3.68 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 1.09 0.00 0.00 0.84 0.00 0.00 136 L 7.68 4.17 0.00 1.26 1.65 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.11 4.24 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 0.56 0.00 0.00 138 S 7.15 4.67 0.00 4.03 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 0.00 139 K 8.47 4.29 0.00 1.68 1.69 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.86 1.25 7.81 140 Y 7.97 4.85 0.00 3.06 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 0.00 141 R 7.91 4.22 0.00 1.80 1.67 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 * Residues marked with a * may have inaccurate shift predictions.