NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8503 8.1976 109.7424 45.7700 0.0000 176.9743 *2 T 4.2604 8.9164 115.4668 61.1205 70.4328 174.5121 3 T 4.3855 7.4863 109.7886 60.9863 69.2596 174.6260 4 F 4.2159 8.1306 124.9910 58.8188 39.9311 174.0421 5 T 4.1644 7.2327 124.0267 61.0767 69.8482 174.1432 6 L 4.0172 7.9940 128.8969 54.3299 43.0083 176.5272 7 D 4.3419 9.5201 125.2893 54.6088 42.6065 177.3972 8 E 3.9291 8.8095 125.7719 59.7101 29.4523 179.8014 9 R 3.9674 8.6537 118.4729 58.9718 29.9857 178.9646 10 L 3.9638 7.9710 118.5435 57.2492 41.4512 178.7703 11 E 3.8984 8.0937 118.9220 59.2975 29.6801 178.6719 12 R 4.0067 8.0134 117.4513 59.5294 30.3672 177.1643 13 D 4.5450 8.2172 116.1106 55.1554 41.4119 176.4697 14 G 4.2110 7.5308 106.0827 44.2282 0.0000 172.5828 15 I 4.5522 8.6426 124.1929 58.5843 39.0343 173.5942 16 P 4.7016 0.0000 0.0000 62.7418 31.6617 176.1422 17 I 4.3843 9.1282 114.5554 59.5310 38.5234 174.5177 18 G 4.2989 7.1971 106.6522 43.8463 0.0000 172.8461 19 T 4.8431 7.7674 115.8386 61.6778 72.6034 175.0535 20 L 4.6145 8.6224 128.4434 55.0253 41.3113 178.2982 21 G 3.6861 8.9709 111.3575 49.4193 0.0000 173.9589 22 L 4.2428 9.0600 123.1886 56.2711 43.8024 175.6633 23 C 4.8758 8.2355 116.7468 58.2459 30.3321 175.2699 24 Q 4.0586 8.3892 123.3293 55.6703 30.8000 175.1841 *26 R 4.3801 8.4562 117.5594 56.7788 31.8250 174.9355 27 L 4.5721 8.5988 128.4542 54.5967 44.1893 177.5546 *29 N 4.8434 8.3069 107.5655 52.9471 39.4419 174.5411 30 D 4.6760 7.7233 118.7466 52.7574 42.7299 175.3011 31 R 3.1462 8.7216 123.1395 56.8670 29.5445 178.3795 32 R 3.5629 7.3052 117.8002 58.2798 30.0906 177.0531 33 W 5.1170 7.7365 115.1991 53.9020 33.1758 172.8241 34 P 4.8125 0.0000 0.0000 62.6803 31.8886 175.3240 35 W 5.7768 9.2343 134.7962 56.0515 33.3584 173.9375 36 L 5.3620 9.5369 127.4823 52.9858 44.5383 175.5702 37 I 5.2525 8.9548 114.8186 59.2314 40.6018 174.5923 38 L 4.8655 9.0414 124.6260 53.1124 44.3201 175.5487 39 V 4.5234 8.8703 124.5708 60.1510 33.4954 172.7375 40 P 4.4667 0.0000 0.0000 62.0535 31.6765 177.7700 41 Q 2.5200 7.9352 126.2468 54.6681 27.6636 176.2046 42 R 4.5985 6.8119 115.5461 53.8186 32.5958 176.5307 43 A 4.2610 8.6437 125.1336 53.5207 19.1708 176.8414 44 D 4.3667 8.5642 119.1487 55.5068 38.7720 173.9673 45 I 4.5309 7.2393 116.1312 59.5597 39.0341 176.5463 46 K 4.7861 9.5493 123.6684 56.8897 34.4522 176.3816 47 E 4.4128 7.5317 118.0843 53.5719 31.6486 176.9551 48 V 3.5404 8.1328 121.7373 65.9537 31.6881 178.0994 49 F 4.4813 7.6855 112.9606 58.9286 37.9459 176.0895 50 E 4.1577 7.5237 120.8347 58.6987 29.5051 177.5877 51 L 4.0955 7.4990 118.6728 54.5528 42.3194 177.7422 52 T 4.0556 8.3622 112.2798 61.4330 70.4769 173.3601 53 P 4.2332 0.0000 0.0000 65.9325 31.1837 178.7303 54 L 3.9943 7.8304 117.1665 58.3049 42.1466 178.2604 55 D 4.4957 7.8709 117.7368 57.3865 41.0409 178.2796 56 Q 4.1745 8.4896 118.7656 58.8288 28.7632 179.0373 57 A 4.1058 7.8026 118.4909 52.7956 18.0928 178.7807 *59 L 4.1678 7.8590 124.3549 56.8901 44.2220 178.8893 60 T 3.6836 7.9084 115.1713 66.9585 68.2786 176.4608 61 F 4.3673 7.8514 118.7450 60.1062 39.0114 177.9660 62 E 4.0220 8.2202 117.9922 59.7305 29.2763 179.2111 63 T 3.8984 8.2715 116.1144 66.8683 68.4887 176.4517 64 N 4.4051 8.3278 118.2712 55.8651 38.6422 177.3068 65 L 3.9759 8.4203 122.3317 58.2654 42.1456 179.3137 66 V 3.6120 8.0329 117.9433 65.7461 31.4219 177.8262 67 A 4.0051 8.4402 120.7332 55.1726 18.2495 179.4149 68 A 4.0700 8.2810 119.4962 55.2605 18.3787 180.1144 69 G 3.5487 8.2288 104.1920 47.5174 0.0000 175.6569 70 L 4.0160 8.5672 123.6344 57.6773 42.1581 178.9998 71 K 3.9942 8.3164 119.6721 59.2892 31.9359 178.7063 72 K 3.9166 8.0794 118.6783 59.6302 32.2660 178.4447 73 A 4.1753 8.3173 120.2538 54.6190 18.3419 178.7542 74 T 4.5333 8.0419 106.5773 60.9991 69.7478 175.6062 75 G 3.8847 8.0381 108.7285 46.1478 0.0000 173.7318 76 A 4.1779 7.6592 121.3756 51.9182 18.9108 178.8104 77 E 4.2281 8.6422 120.6270 59.0937 30.4471 177.5633 78 K 4.6605 8.3545 119.6857 55.2000 36.1478 175.0287 79 I 4.8426 8.4512 127.6169 60.4111 38.8864 174.6206 80 N 5.0591 9.1087 123.5378 51.5157 41.1476 173.6271 81 I 5.1378 8.5125 123.8432 59.6282 40.3621 175.3070 82 G 4.1808 9.3439 112.3704 44.8954 0.0000 171.6661 83 A 4.5910 8.5276 125.4046 50.7849 20.4112 174.3982 84 L 4.0884 8.6324 119.8627 51.9712 44.5278 177.0185 85 G 4.2223 8.0499 108.2391 46.9314 0.0000 174.5286 86 N 4.4274 8.2523 119.3558 55.5461 38.2793 176.1669 87 I 3.9391 7.1014 118.4147 61.6935 38.3725 175.2225 88 V 4.1754 7.3992 119.5454 61.5826 32.7171 177.4679 89 R 3.9815 8.5462 127.0858 58.6336 30.4518 176.8301 90 Q 4.3103 8.1335 118.4263 56.2062 29.2143 175.7287 91 L 4.1838 8.6031 128.3497 56.0150 42.4330 175.8995 92 H 5.1655 8.5894 120.6374 54.1432 31.9534 172.6584 93 V 4.4875 8.7735 121.5064 61.4206 33.6727 174.3569 94 H 5.2601 9.5990 126.3629 55.9198 30.3285 174.8939 95 V 4.7818 9.4826 122.4945 61.4863 34.4117 173.9082 96 I 5.0890 8.9341 129.1925 59.3268 40.4570 174.7101 97 A 4.8151 9.2971 129.3475 51.3422 19.6614 176.8167 98 R 5.2369 9.1775 121.2221 54.8129 35.1031 174.5080 99 R 4.4328 9.1121 115.4800 54.6044 33.1000 174.1138 100 E 2.0000 7.5863 122.1616 57.3977 29.7183 177.6657 101 G 3.8428 8.3645 113.9918 45.1379 0.0000 172.8876 102 D 4.6139 7.7566 119.8506 51.5277 40.5546 173.8560 103 P 4.4447 0.0000 0.0000 63.8417 31.6255 176.4658 104 N 3.8785 8.8733 119.6664 53.1214 37.4612 173.1848 105 W 4.2893 7.9694 126.5857 57.9704 30.9888 173.6393 106 P 3.0402 0.0000 0.0000 62.0205 30.8398 175.9775 107 G 3.6799 7.8572 109.5829 44.1899 0.0000 171.8354 108 P 4.0448 0.0000 0.0000 62.1197 32.2125 177.1582 109 V 2.5369 6.5283 112.8931 63.2708 31.4688 176.9115 110 W 4.4212 6.9277 120.1023 57.8353 29.0650 176.4207 111 G 3.9883 9.2600 111.1206 45.5969 0.0000 172.5447 112 F 4.5977 8.4017 122.7933 57.4258 40.2217 176.5255 113 G 3.3863 8.0732 118.7057 45.6088 0.0000 171.3542 114 K 4.5048 8.2144 120.7233 53.8963 34.4307 176.7600 115 A 4.4437 8.5358 128.1570 52.0716 19.0816 176.5340 116 E 4.6216 8.6553 121.8962 53.7430 30.9768 174.1689 117 P 5.0232 0.0000 0.0000 62.4525 32.4048 176.1341 118 W 4.3495 9.8284 122.4091 55.6772 29.8762 174.9116 119 P 4.3545 0.0000 0.0000 62.7059 31.4839 176.1436 120 E 3.7226 8.8241 122.2714 60.0958 29.2576 179.0029 121 E 3.9138 8.0385 118.1092 59.3025 29.8180 178.6910 122 E 4.1122 8.2861 118.4258 59.8212 29.5774 178.9293 123 H 3.8537 8.5695 115.0511 58.3405 28.5546 177.9770 124 R 3.9048 7.8534 121.0268 59.3612 29.9077 179.0693 125 T 3.8657 8.2134 115.7632 66.6684 68.4307 176.5040 126 F 4.2517 8.5598 122.5558 61.1466 39.1279 176.8278 127 A 3.7049 8.0786 119.5855 55.1275 18.2552 178.9429 128 A 4.0175 7.6338 117.8051 55.4564 18.4741 179.5595 129 R 3.9849 7.6084 115.8715 59.3977 30.3120 179.3304 130 I 3.5239 7.2549 116.1511 62.1987 36.6602 177.5226 *132 E 4.2282 8.1128 120.0972 55.8890 31.4138 176.1809 133 N 4.8467 8.0384 114.8926 52.9378 40.4079 174.8760 134 L 4.1594 7.8943 122.5152 55.0434 41.6505 176.7779 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 8.20 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 *2 T 8.92 4.26 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 3 T 7.49 4.39 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 4 F 8.13 4.22 0.00 2.99 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 5 T 7.23 4.16 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 1.06 0.00 0.00 6 L 7.99 4.02 0.00 1.63 1.52 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.52 4.34 0.00 2.76 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 8 E 8.81 3.93 0.00 2.11 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 2.40 1.98 0.00 9 R 8.65 3.97 0.00 1.96 1.97 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 10 L 7.97 3.96 0.00 1.81 1.68 0.88 0.62 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 11 E 8.09 3.90 0.00 2.00 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 2.30 2.35 0.00 12 R 8.01 4.01 0.00 1.91 2.05 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 13 D 8.22 4.55 0.00 2.73 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 14 G 7.53 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 15 I 8.64 4.55 1.68 0.00 0.00 0.52 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 0.49 0.77 0.00 0.00 16 P 0.00 4.70 0.00 2.06 2.06 0.00 3.67 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 1.97 1.96 0.00 17 I 9.13 4.38 1.80 0.00 0.00 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 1.31 0.69 0.82 0.00 0.00 18 G 7.20 4.30 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 0.00 19 T 7.77 4.84 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 1.23 0.00 0.00 20 L 8.62 4.61 0.00 1.78 1.46 0.93 0.91 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 21 G 8.97 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 22 L 9.06 4.24 0.00 1.70 1.92 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.24 4.88 0.00 3.01 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 24 Q 8.39 4.06 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 *26 R 8.46 4.38 0.00 1.79 1.92 0.00 3.13 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 L 8.60 4.57 0.00 1.62 1.21 1.08 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 *29 N 8.31 4.84 0.00 2.78 2.86 0.00 0.00 6.50 8.47 0.00 0.00 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 D 7.72 4.68 0.00 2.73 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 31 R 8.72 3.15 0.00 0.67 0.66 0.00 2.76 0.00 0.00 2.90 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.00 32 R 7.31 3.56 0.00 0.96 0.66 0.00 2.72 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.37 0.00 33 W 7.74 5.12 0.00 3.39 3.09 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 0.00 0.00 0.00 0.00 34 P 0.00 4.81 0.00 2.38 2.11 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 35 W 9.23 5.78 0.00 3.64 3.14 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 36 L 9.54 5.36 0.00 1.79 1.64 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.95 5.25 1.97 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 0.71 1.10 0.00 0.00 38 L 9.04 4.87 0.00 1.65 1.61 0.98 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 39 V 8.87 4.52 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 1.21 0.00 0.00 0.99 0.00 0.00 40 P 0.00 4.47 0.00 1.86 1.89 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 41 Q 7.94 2.52 0.00 1.72 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 1.90 2.24 0.00 42 R 6.81 4.60 0.00 1.72 1.80 0.00 3.36 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 43 A 8.64 4.26 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 44 D 8.56 4.37 0.00 2.82 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 45 I 7.24 4.53 1.88 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 1.64 1.06 0.84 0.00 0.00 46 K 9.55 4.79 0.00 1.88 1.84 0.00 1.54 0.00 0.00 1.52 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.22 7.81 47 E 7.53 4.41 0.00 1.16 1.12 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 1.96 1.66 0.00 48 V 8.13 3.54 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 0.99 0.00 0.00 0.88 0.00 0.00 49 F 7.69 4.48 0.00 3.08 3.16 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 0.00 0.00 0.00 50 E 7.52 4.16 0.00 2.00 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 2.31 1.89 0.00 51 L 7.50 4.10 0.00 1.74 1.60 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.36 4.06 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 1.22 0.00 0.00 53 P 0.00 4.23 0.00 2.19 2.17 0.00 3.62 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 2.13 2.17 0.00 54 L 7.83 3.99 0.00 1.63 1.71 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.87 4.50 0.00 2.86 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 56 Q 8.49 4.17 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 57 A 7.80 4.11 1.49 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 *59 L 7.86 4.17 0.00 1.79 1.90 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.91 3.68 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 0.52 0.00 0.00 61 F 7.85 4.37 0.00 3.16 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 62 E 8.22 4.02 0.00 2.03 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 0.00 2.43 2.45 0.00 63 T 8.27 3.90 4.40 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 1.23 0.00 0.00 64 N 8.33 4.41 0.00 2.84 2.90 0.00 0.00 6.69 6.19 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 65 L 8.42 3.98 0.00 1.94 1.91 0.95 0.77 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 66 V 8.03 3.61 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 1.01 0.00 0.00 1.01 0.00 0.00 67 A 8.44 4.01 1.42 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 68 A 8.28 4.07 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 69 G 8.23 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 70 L 8.57 4.02 0.00 1.89 1.95 1.22 0.80 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 71 K 8.32 3.99 0.00 2.03 1.96 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.58 7.81 72 K 8.08 3.92 0.00 1.92 1.97 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.48 7.81 73 A 8.32 4.18 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 74 T 8.04 4.53 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 1.61 0.00 0.00 75 G 8.04 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 76 A 7.66 4.18 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 77 E 8.64 4.23 0.00 1.86 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 2.25 2.22 0.00 78 K 8.35 4.66 0.00 2.03 1.81 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.53 7.81 79 I 8.45 4.84 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 1.00 0.00 0.00 80 N 9.11 5.06 0.00 2.38 2.60 0.00 0.00 6.68 6.90 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 81 I 8.51 5.14 1.91 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 1.33 0.65 0.99 0.00 0.00 82 G 9.34 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 0.00 0.00 0.00 83 A 8.53 4.59 1.13 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 0.00 0.00 84 L 8.63 4.09 0.00 1.36 1.25 -0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.05 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 0.00 0.00 0.00 0.00 86 N 8.25 4.43 0.00 2.71 2.88 0.00 0.00 7.14 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 87 I 7.10 3.94 1.94 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 1.34 0.53 0.96 0.00 0.00 88 V 7.40 4.18 2.12 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 1.09 0.00 0.00 0.94 0.00 0.00 89 R 8.55 3.98 0.00 1.88 1.95 0.00 3.35 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 90 Q 8.13 4.31 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 91 L 8.60 4.18 0.00 1.72 1.58 0.85 1.17 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 92 H 8.59 5.17 0.00 3.16 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.77 4.49 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 1.12 0.00 0.00 0.91 0.00 0.00 94 H 9.60 5.26 0.00 3.51 3.62 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 9.48 4.78 2.22 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 1.06 0.00 0.00 1.02 0.00 0.00 96 I 8.93 5.09 1.48 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.43 0.51 0.00 0.00 97 A 9.30 4.82 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 98 R 9.18 5.24 0.00 2.03 2.26 0.00 3.25 0.00 0.00 2.78 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 99 R 9.11 4.43 0.00 1.75 1.84 0.00 2.76 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 100 E 7.59 2.00 0.00 1.16 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 2.05 1.97 0.00 101 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 0.00 102 D 7.76 4.61 0.00 3.00 2.88 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 0.00 103 P 0.00 4.44 0.00 1.70 2.10 0.00 3.33 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.89 0.00 104 N 8.87 3.88 0.00 1.44 2.37 0.00 0.00 6.82 7.95 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 0.00 105 W 7.97 4.29 0.00 3.75 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 0.00 106 P 0.00 3.04 0.00 1.49 0.91 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 107 G 7.86 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 0.00 108 P 0.00 4.04 0.00 2.27 2.15 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 109 V 6.53 2.54 0.67 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 -1.39 0.00 0.00 -1.63 0.00 0.00 110 W 6.93 4.42 0.00 3.41 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 0.00 111 G 9.26 3.99 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 0.00 112 F 8.40 4.60 0.00 3.05 3.37 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 0.00 113 G 8.07 3.39 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 0.00 114 K 8.21 4.50 0.00 1.92 1.62 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 0.96 7.81 115 A 8.54 4.44 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 0.00 116 E 8.66 4.62 0.00 1.76 1.75 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 2.15 2.12 0.00 117 P 0.00 5.02 0.00 2.13 2.09 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 118 W 9.83 4.35 0.00 3.26 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 0.00 119 P 0.00 4.35 0.00 2.26 2.02 0.00 3.67 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 2.29 2.09 0.00 120 E 8.82 3.72 0.00 2.09 1.93 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 2.39 2.42 0.00 121 E 8.04 3.91 0.00 2.08 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 2.41 2.42 0.00 122 E 8.29 4.11 0.00 2.40 2.34 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 2.52 2.46 0.00 123 H 8.57 3.85 0.00 2.86 3.18 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.85 3.90 0.00 2.04 2.00 0.00 3.12 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 125 T 8.21 3.87 4.49 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 1.29 0.00 0.00 126 F 8.56 4.25 0.00 3.18 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 0.00 127 A 8.08 3.70 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 0.00 128 A 7.63 4.02 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 0.00 129 R 7.61 3.98 0.00 1.99 1.85 0.00 3.42 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 130 I 7.25 3.52 1.74 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.36 0.80 0.00 0.00 *132 E 8.11 4.23 0.00 2.11 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 0.00 2.20 2.40 0.00 133 N 8.04 4.85 0.00 2.90 2.92 0.00 0.00 6.83 7.42 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 0.00 134 L 7.89 4.16 0.00 1.62 1.59 0.90 0.82 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 * Residues marked with a * may have inaccurate shift predictions.