NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7700 8.2827 118.1307 52.9974 40.1266 175.0519 3 V 3.5008 8.3638 122.5806 65.5403 31.3299 176.4674 4 D 4.3683 8.2685 117.9122 56.7437 41.1763 177.4908 5 F 3.7471 7.7966 120.1667 60.8672 39.9620 177.1835 6 I 4.0109 7.9807 119.3919 64.5472 36.8959 177.8292 7 N 4.2871 8.2539 117.4783 56.3191 38.5469 175.3872 8 P 4.1040 0.0000 0.0000 65.6908 31.4141 178.6552 9 F 4.1282 7.7991 115.9459 60.3816 38.8704 177.8062 10 L 4.0827 7.9640 118.1373 58.0160 41.5212 179.0441 11 D 4.4002 8.4262 119.1654 57.5623 40.7246 179.1761 12 S 4.0593 7.9831 115.3480 61.2165 62.8063 176.2280 13 L 3.8455 7.6905 122.6123 58.3671 41.8041 179.2113 14 L 3.9163 7.5681 118.1263 57.7522 41.5458 179.3025 15 N 4.3221 8.3691 116.6971 56.2532 38.2648 177.6931 16 V 3.5767 8.0119 118.7019 66.0590 31.7493 177.7287 17 L 4.1203 7.7695 117.4729 57.5724 41.7121 179.2509 18 K 4.1447 8.1891 119.5892 59.7209 31.9808 178.9860 19 T 3.8169 7.5737 110.3842 64.9542 68.0590 174.6195 *21 A 3.9624 7.5955 122.2709 50.4755 19.9969 175.3179 22 N 3.8225 8.0161 116.8714 54.5782 37.5120 173.3420 *24 E 4.1179 8.4065 122.9454 56.1505 30.5819 175.5779 25 L 4.9574 8.4233 123.3505 52.9707 44.5478 175.7222 26 K 4.6023 8.9111 124.2042 54.3182 33.5717 174.1321 27 P 3.9787 0.0000 0.0000 62.8706 32.1910 175.9493 28 G 4.2515 7.8764 109.9785 44.2500 0.0000 172.2404 29 K 4.2472 8.4486 119.6343 55.3521 32.6731 175.4544 30 P 4.6968 0.0000 0.0000 62.0142 32.7827 174.5954 31 N 4.8031 8.9949 118.6443 52.2331 39.9146 175.2185 32 L 5.0250 8.4131 123.1974 53.7788 42.7512 176.8327 33 K 4.4724 8.2003 117.3155 56.6885 34.6469 176.5251 34 K 4.5350 8.9608 119.0346 54.6750 35.1125 174.6711 35 D 5.0052 8.2645 125.4189 52.5690 42.0078 175.6739 36 N 4.2148 8.3453 117.1161 55.2611 37.8102 175.1921 37 L 4.4162 7.9094 115.3121 55.5277 43.7438 177.2319 38 A 3.7869 7.5474 118.9861 51.6443 18.6738 176.8319 39 K 4.7158 8.3357 121.2405 55.0249 34.7698 175.6876 40 G 4.2005 8.4946 109.3378 46.0311 0.0000 172.6933 41 D 5.6311 9.5530 118.2735 53.9336 43.5969 177.4374 42 V 5.1544 7.7059 117.5236 60.4146 34.9220 174.1733 43 S 5.3006 9.5899 120.1045 56.8073 67.3934 172.9728 44 G 4.9933 9.2274 111.0870 44.1467 0.0000 172.5605 45 L 5.4455 9.3837 124.0071 52.8803 45.9364 175.5260 46 I 4.7414 8.9009 123.0290 59.8653 41.8875 174.8879 47 G 3.8377 8.4496 116.4243 44.9502 0.0000 172.2608 *49 V 4.0291 8.1944 118.2212 62.7068 32.4977 175.2546 50 G 4.5642 8.6980 115.3386 42.6057 0.0000 169.6628 51 P 4.4034 0.0000 0.0000 64.2435 31.0826 177.0045 52 Q 3.6985 9.0153 121.4186 55.5941 25.7514 169.6614 53 T 5.0194 7.8047 106.8172 60.9765 72.1254 172.8351 54 K 4.5020 8.5029 121.1764 55.6274 35.6816 175.4366 55 G 3.8896 7.5034 106.3620 46.0496 0.0000 171.7415 56 S 4.9723 8.8814 112.7635 57.1251 66.6057 173.4813 57 L 5.3429 9.2567 124.1443 53.3976 45.4645 175.2397 58 S 5.2327 9.2232 119.3541 56.7135 67.0305 172.8729 59 I 4.9359 8.9780 122.6865 60.0555 40.5116 174.3364 60 T 5.1464 9.1230 124.3209 61.6931 71.4365 173.4582 61 F 5.1811 9.2610 124.1983 55.4754 42.6489 174.8261 62 E 4.4100 8.8382 121.5720 56.2396 30.4151 177.5726 63 E 3.9467 10.0261 124.8458 60.0011 29.8344 179.6685 64 T 3.9198 8.0179 109.0486 64.7118 68.6210 175.9623 65 L 4.0474 7.9008 122.5288 58.1572 42.1565 178.6593 66 I 3.4212 7.3960 116.8214 63.9023 37.9167 177.5427 67 L 4.0673 7.8447 119.2718 57.4618 41.6143 178.7444 68 E 3.9308 8.0335 119.1732 58.9626 29.2325 178.9886 69 I 3.5160 7.2003 116.0202 62.4204 37.7644 176.1899 *71 N 4.8209 8.0940 120.5990 53.8078 40.3151 176.7379 72 K 4.0847 8.0812 113.2487 57.3016 31.2152 177.8829 *74 L 4.1476 7.9086 119.5850 53.7367 43.2610 178.1017 75 G 4.0139 9.8138 106.8418 45.0376 0.0000 173.2590 76 E 4.7851 7.2708 115.3875 54.5468 32.1398 174.9733 77 K 4.1214 8.5321 121.8992 55.7617 32.6552 176.1290 78 P 4.2061 0.0000 0.0000 63.2478 31.6029 176.5761 79 E 4.3277 8.1813 122.5448 56.3136 28.6340 174.1664 80 S 4.6173 7.3860 108.8646 56.4200 66.3356 173.0934 81 I 4.0716 8.2282 121.5256 60.5575 36.6907 174.7570 82 D 5.1786 8.0612 127.1286 51.1409 42.3716 175.9005 83 E 3.9804 8.6480 118.9557 59.1937 29.5855 179.0178 84 E 3.9092 8.2385 118.1715 59.5382 29.6073 179.4056 85 V 3.5527 7.8548 117.8188 66.2062 31.3260 178.1934 86 T 3.9294 8.1510 109.7298 64.8620 68.6373 176.2023 87 D 4.3568 8.6280 122.1503 57.0864 40.8225 178.6525 88 L 3.9093 7.8169 120.4567 58.0543 42.0251 179.1467 89 V 3.7190 7.8951 118.4202 65.8620 31.4691 178.2345 90 G 3.6066 8.1110 105.5161 47.7081 0.0000 175.2483 91 E 3.9285 7.8737 120.7567 58.8940 29.7920 178.1438 92 L 4.1165 8.1215 119.2728 58.5930 42.4334 178.7096 93 T 4.1662 8.2370 115.6795 66.7392 68.2942 176.8510 94 N 4.3442 8.0394 114.8561 53.9536 38.2195 177.1289 *96 V 4.0167 7.6830 121.4793 63.4391 33.5892 177.6697 97 T 4.2629 8.1050 116.3037 66.7736 68.4066 176.9190 98 G 3.7607 8.5776 108.0999 47.6984 0.0000 175.9084 99 G 3.5782 8.0733 107.4239 47.5041 0.0000 175.5255 100 A 3.6404 8.0144 123.3968 54.4075 18.3447 179.2700 101 K 3.2342 8.4902 118.5587 59.8599 31.6956 178.6457 102 N 4.2430 7.8791 115.8996 56.2894 38.6596 177.4337 103 L 4.0004 7.4527 120.4282 57.9068 41.7259 179.6956 104 L 4.2131 8.0940 119.1256 57.3945 41.6176 179.6506 105 S 4.5071 7.7283 115.5608 61.0802 62.7040 176.3305 106 D 4.3873 7.5763 120.3824 56.8785 40.6632 178.2909 107 K 4.2634 7.5812 116.0293 57.1487 32.3701 177.9273 108 G 3.9191 7.8517 106.8611 45.2279 0.0000 173.4017 109 Y 4.4285 8.3167 118.9704 57.4457 38.2867 174.3142 110 E 4.8832 8.7067 124.5172 54.5551 32.4764 175.1398 111 F 5.1521 7.9592 115.5061 56.6615 40.5308 173.5010 112 D 5.1613 8.9814 121.1104 53.1691 43.7623 174.2077 *114 A 4.3511 8.3215 121.5032 52.7694 20.0256 176.8133 115 T 4.1889 8.3820 107.4283 60.8597 69.7746 172.7354 116 P 4.8229 0.0000 0.0000 62.8140 32.7581 175.2619 117 I 4.6107 8.9463 122.3659 59.5565 40.4568 174.5045 118 V 4.8117 8.4182 125.4615 61.1463 33.6179 174.5603 119 V 4.4045 8.8221 128.0989 61.2480 33.6711 174.2779 120 S 5.2018 8.8172 123.4058 56.0091 65.7434 173.8743 121 G 4.4195 8.8266 114.8901 45.5046 0.0000 172.0740 122 K 4.4825 8.8963 126.3368 57.1407 32.8168 176.1897 123 N 4.1846 8.9098 125.7019 54.4781 37.0578 174.1265 124 H 4.8266 8.0205 112.4166 55.5203 30.5616 174.4300 125 T 5.1308 8.3992 108.7624 60.0198 72.2053 173.0383 126 I 4.6929 8.1531 121.5188 59.4626 41.0627 174.3759 127 A 5.0928 8.5729 128.5927 49.6294 20.8487 174.9023 128 H 4.5399 9.4051 121.8515 54.8379 29.0477 176.2791 129 K 4.3222 8.3222 125.6451 55.0039 30.7236 175.8322 130 S 4.6253 7.7229 115.6981 56.6734 65.5226 173.8308 131 D 4.4797 8.2908 123.0215 55.7300 40.9927 177.4357 132 G 4.2062 7.7536 109.9299 45.2750 0.0000 173.1759 133 Q 4.4952 8.3707 118.6711 54.8582 29.7132 171.1248 134 K 4.9234 8.5352 120.8438 54.2059 36.4104 174.9375 135 I 4.8537 8.4570 122.4949 59.5563 41.4794 174.1210 136 I 5.2995 9.0614 129.2307 57.7400 41.4621 172.5229 *138 P 4.3396 0.0000 0.0000 62.8217 33.1478 175.6153 139 F 5.0465 9.0609 120.0720 56.0248 42.3743 174.2499 140 S 5.1568 8.9167 119.3988 57.0256 66.3281 172.9239 141 S 4.8928 8.1214 113.4613 57.5731 66.0388 176.0534 142 I 3.6161 8.4517 113.2436 63.3208 37.1029 176.2454 143 Y 4.4757 7.7477 116.9172 57.2381 38.0167 174.0450 144 G 3.8648 7.1761 106.2673 44.0618 0.0000 172.3894 145 T 4.8728 9.0501 115.4204 61.6051 71.4503 173.8074 146 A 4.9267 9.0859 126.8799 50.2769 22.4888 174.8862 147 Y 4.9932 8.8969 117.5006 56.0751 41.4209 174.4575 148 I 4.9242 8.6435 123.4179 59.1221 41.1121 173.2780 149 E 5.1514 9.2860 130.6214 54.4282 32.2559 174.3357 150 I 4.7629 8.4479 127.2983 59.5687 40.4976 174.1499 151 C 5.2764 9.0491 126.4294 57.7363 35.2750 172.3820 152 F 5.0304 8.7167 127.1789 56.7993 43.2557 172.5815 153 E 4.9161 9.8167 122.8644 53.1944 33.0256 175.8860 154 G 3.6943 8.8125 110.8545 46.3355 0.0000 171.9380 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 N 8.28 4.77 0.00 2.81 2.90 0.00 0.00 6.64 6.79 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 3 V 8.36 3.50 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 1.14 0.00 0.00 0.96 0.00 0.00 4 D 8.27 4.37 0.00 2.81 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 5 F 7.80 3.75 0.00 2.53 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 6 I 7.98 4.01 1.94 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 1.64 1.08 0.98 0.00 0.00 7 N 8.25 4.29 0.00 2.80 2.90 0.00 0.00 7.08 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 8 P 0.00 4.10 0.00 1.60 1.82 0.00 3.45 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 9 F 7.80 4.13 0.00 3.19 3.05 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 10 L 7.96 4.08 0.00 1.92 1.93 1.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.43 4.40 0.00 2.62 2.70 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 12 S 7.98 4.06 0.00 4.01 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 13 L 7.69 3.85 0.00 1.66 1.60 0.83 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.57 3.92 0.00 1.72 1.69 1.07 0.58 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 15 N 8.37 4.32 0.00 2.85 2.84 0.00 0.00 6.67 8.48 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 16 V 8.01 3.58 2.15 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 0.84 0.00 0.00 0.97 0.00 0.00 17 L 7.77 4.12 0.00 1.65 1.73 0.92 0.90 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 18 K 8.19 4.14 0.00 1.97 1.95 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.52 7.81 19 T 7.57 3.82 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 *21 A 7.60 3.96 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 22 N 8.02 3.82 0.00 2.81 2.82 0.00 0.00 7.06 7.04 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 *24 E 8.41 4.12 0.00 2.06 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 2.24 2.37 0.00 25 L 8.42 4.96 0.00 1.66 1.75 0.97 1.03 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 26 K 8.91 4.60 0.00 1.83 1.68 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.36 7.81 27 P 0.00 3.98 0.00 1.85 1.59 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 28 G 7.88 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 29 K 8.45 4.25 0.00 1.73 1.73 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.34 7.81 30 P 0.00 4.70 0.00 2.16 2.01 0.00 3.71 0.00 0.00 3.64 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 31 N 8.99 4.80 0.00 2.68 2.69 0.00 0.00 7.37 6.30 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 32 L 8.41 5.03 0.00 1.64 1.65 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.20 4.47 0.00 1.68 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.31 7.81 34 K 8.96 4.54 0.00 1.56 1.59 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 35 D 8.26 5.01 0.00 2.97 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 36 N 8.35 4.21 0.00 2.86 2.92 0.00 0.00 7.01 7.80 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 37 L 7.91 4.42 0.00 1.53 1.58 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.55 3.79 -0.07 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 0.00 0.00 39 K 8.34 4.72 0.00 1.62 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 40 G 8.49 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 0.00 0.00 0.00 0.00 41 D 9.55 5.63 0.00 2.66 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 42 V 7.71 5.15 2.15 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 1.02 0.00 0.00 1.00 0.00 0.00 43 S 9.59 5.30 0.00 3.83 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 44 G 9.23 4.99 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 0.00 45 L 9.38 5.45 0.00 1.56 1.50 0.99 0.82 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 46 I 8.90 4.74 1.93 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 1.24 1.27 0.99 0.00 0.00 47 G 8.45 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 *49 V 8.19 4.03 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 1.09 0.00 0.00 0.94 0.00 0.00 50 G 8.70 4.56 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 0.00 51 P 0.00 4.40 0.00 2.11 2.08 0.00 3.97 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 52 Q 9.02 3.70 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 53 T 7.80 5.02 4.62 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 1.42 0.00 0.00 54 K 8.50 4.50 0.00 1.73 1.77 0.00 1.27 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.20 1.21 7.81 55 G 7.50 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 56 S 8.88 4.97 0.00 3.74 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 57 L 9.26 5.34 0.00 1.48 1.48 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.22 5.23 0.00 3.92 3.95 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 59 I 8.98 4.94 1.93 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 1.21 0.74 0.60 0.00 0.00 60 T 9.12 5.15 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 1.27 0.00 0.00 61 F 9.26 5.18 0.00 3.03 2.97 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 62 E 8.84 4.41 0.00 2.06 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 2.44 2.52 0.00 63 E 10.03 3.95 0.00 2.10 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 2.34 2.36 0.00 64 T 8.02 3.92 4.36 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 1.26 0.00 0.00 65 L 7.90 4.05 0.00 2.03 2.05 1.06 1.20 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 66 I 7.40 3.42 1.61 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.94 0.00 0.00 67 L 7.84 4.07 0.00 1.65 1.68 1.00 0.80 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 68 E 8.03 3.93 0.00 1.90 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 1.67 0.00 69 I 7.20 3.52 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.79 0.00 0.00 *71 N 8.09 4.82 0.00 2.86 2.90 0.00 0.00 7.11 6.75 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 72 K 8.08 4.08 0.00 1.80 1.75 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.65 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 *74 L 7.91 4.15 0.00 1.62 1.74 0.89 0.98 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 75 G 9.81 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 0.00 0.00 0.00 76 E 7.27 4.79 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 2.16 2.27 0.00 77 K 8.53 4.12 0.00 1.83 1.76 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.42 7.81 78 P 0.00 4.21 0.00 2.14 2.08 0.00 3.71 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 1.98 2.07 0.00 79 E 8.18 4.33 0.00 2.03 2.15 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 2.22 2.23 0.00 80 S 7.39 4.62 0.00 3.91 3.80 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 81 I 8.23 4.07 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.92 0.00 0.00 82 D 8.06 5.18 0.00 2.85 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 83 E 8.65 3.98 0.00 2.05 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 2.26 0.00 84 E 8.24 3.91 0.00 2.22 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 2.39 2.36 0.00 85 V 7.85 3.55 2.19 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 0.98 0.00 0.00 0.94 0.00 0.00 86 T 8.15 3.93 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 1.25 0.00 0.00 87 D 8.63 4.36 0.00 2.82 2.76 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 88 L 7.82 3.91 0.00 1.80 1.79 0.76 0.62 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 89 V 7.90 3.72 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 1.20 0.00 0.00 0.87 0.00 0.00 90 G 8.11 3.61 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 0.00 0.00 0.00 0.00 91 E 7.87 3.93 0.00 2.00 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 0.00 2.33 2.32 0.00 92 L 8.12 4.12 0.00 1.69 2.00 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.24 4.17 4.46 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 1.28 0.00 0.00 94 N 8.04 4.34 0.00 2.92 2.86 0.00 0.00 6.67 7.10 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 *96 V 7.68 4.02 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 1.12 0.00 0.00 1.03 0.00 0.00 97 T 8.10 4.26 4.41 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 1.57 0.00 0.00 98 G 8.58 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 99 G 8.07 3.58 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 0.00 100 A 8.01 3.64 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 3.23 0.00 1.81 1.87 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.86 0.58 7.81 102 N 7.88 4.24 0.00 2.88 2.78 0.00 0.00 7.07 6.16 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 0.00 103 L 7.45 4.00 0.00 1.68 1.61 0.94 0.51 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 0.00 104 L 8.09 4.21 0.00 1.72 1.84 0.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.73 4.51 0.00 4.13 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 0.00 106 D 7.58 4.39 0.00 2.84 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 0.00 107 K 7.58 4.26 0.00 2.23 2.08 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.64 7.81 108 G 7.85 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 0.00 0.00 0.00 109 Y 8.32 4.43 0.00 3.33 3.24 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 0.00 110 E 8.71 4.88 0.00 2.01 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 2.39 2.22 0.00 111 F 7.96 5.15 0.00 3.38 3.32 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 0.00 112 D 8.98 5.16 0.00 2.64 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 *114 A 8.32 4.35 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 0.00 115 T 8.38 4.19 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 1.23 0.00 0.00 116 P 0.00 4.82 0.00 2.13 2.13 0.00 3.73 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 2.01 2.15 0.00 117 I 8.95 4.61 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 1.12 0.95 0.91 0.00 0.00 118 V 8.42 4.81 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 0.88 0.00 0.00 1.02 0.00 0.00 119 V 8.82 4.40 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 0.74 0.00 0.00 0.89 0.00 0.00 120 S 8.82 5.20 0.00 3.76 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 0.00 121 G 8.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.48 0.00 2.07 1.77 0.00 2.05 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.05 7.81 123 N 8.91 4.18 0.00 2.91 2.86 0.00 0.00 7.09 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 0.00 124 H 8.02 4.83 0.00 3.21 3.43 0.00 5.20 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.40 5.13 4.27 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 1.23 0.00 0.00 126 I 8.15 4.69 1.88 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 1.33 0.91 0.97 0.00 0.00 127 A 8.57 5.09 1.20 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 0.00 0.00 0.00 128 H 9.41 4.54 0.00 3.08 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.32 4.32 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.34 7.81 130 S 7.72 4.63 0.00 3.72 3.64 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 0.00 131 D 8.29 4.48 0.00 2.75 2.69 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 0.00 132 G 7.75 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 0.00 133 Q 8.37 4.50 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.77 0.00 0.00 0.00 0.00 0.00 2.33 1.95 0.00 134 K 8.54 4.92 0.00 1.63 1.64 0.00 1.55 0.00 0.00 1.97 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.37 7.81 135 I 8.46 4.85 1.88 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 1.24 1.48 0.96 0.00 0.00 136 I 9.06 5.30 1.86 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 0.85 1.00 0.92 0.00 0.00 *138 P 0.00 4.34 0.00 1.95 2.23 0.00 3.49 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 1.81 2.00 0.00 139 F 9.06 5.05 0.00 2.88 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 0.00 140 S 8.92 5.16 0.00 3.81 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 0.00 141 S 8.12 4.89 0.00 3.98 4.06 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 0.00 142 I 8.45 3.62 1.53 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.77 0.00 0.00 143 Y 7.75 4.48 0.00 3.05 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 0.00 144 G 7.18 3.86 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 0.00 0.00 0.00 145 T 9.05 4.87 4.11 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 0.00 0.00 0.54 0.00 0.00 146 A 9.09 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.90 4.99 0.00 2.80 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 0.00 148 I 8.64 4.92 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.66 1.16 0.00 0.00 149 E 9.29 5.15 0.00 1.98 1.68 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 1.74 2.26 0.00 150 I 8.45 4.76 1.75 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 0.41 0.20 0.52 0.00 0.00 151 C 9.05 5.28 0.00 2.84 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 0.00 152 F 8.72 5.03 0.00 2.97 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 0.00 153 E 9.82 4.92 0.00 1.98 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 0.00 2.12 2.17 0.00 154 G 8.81 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 * Residues marked with a * may have inaccurate shift predictions.