NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 Y 4.6211 8.1449 119.1720 56.7384 37.5168 173.5551 -2 F 4.4985 8.5853 124.8639 54.4341 40.8317 174.9097 -1 Q 4.3627 8.4692 124.4280 56.2001 32.2463 177.9268 0 G 3.6583 8.8419 112.5622 45.5807 0.0000 176.5128 -1 K 4.3427 8.4392 125.0280 56.7001 35.9463 178.5269 0 I 3.8683 8.5119 123.6622 61.5807 34.0841 178.0128 4 T 4.2348 8.5484 118.1280 60.5702 71.9275 175.2292 5 T 3.4522 7.9755 110.0595 64.1426 68.3974 176.1914 6 K 3.9307 7.8474 121.9046 59.7141 32.1018 179.3491 7 G 3.6002 8.6452 106.0068 47.6633 0.0000 176.0211 8 R 3.9371 7.7963 120.0836 59.4939 30.0847 178.8653 9 Y 4.5240 8.5612 116.9094 60.6111 37.7568 178.2767 10 G 3.7940 8.5584 107.5770 48.1400 0.0000 175.6779 11 L 4.0970 8.0445 123.0026 57.0182 41.6084 179.6054 12 T 3.8917 8.0648 115.7701 66.7812 68.3211 176.5001 13 I 3.6389 8.0110 121.9020 64.7335 36.6893 178.6982 14 T 3.8588 8.1135 110.5642 64.7713 68.4452 176.4692 15 L 4.0370 8.4506 122.2907 57.5710 41.7165 179.2102 16 E 3.9620 8.1618 118.5340 59.5006 29.2012 179.4426 17 L 4.0226 8.0239 117.8004 57.6489 41.7124 179.1507 18 A 4.1460 8.1677 120.3540 55.1674 18.4275 179.4793 19 K 4.0996 8.1960 116.0915 58.7708 32.3576 178.7126 20 R 4.6448 7.6430 117.3930 55.8028 31.2073 178.3588 21 I 3.6882 8.0325 121.7644 63.8341 38.1179 176.4885 22 G 3.9648 8.0082 106.3002 45.6693 0.0000 173.4512 23 D 4.5486 8.2781 118.6577 53.5292 41.4490 177.4426 24 G 3.8165 7.8974 107.2852 43.4867 0.0000 170.8586 25 P 4.5349 0.0000 0.0000 63.0754 31.8908 176.2285 26 I 4.6563 8.9197 125.7574 59.3860 39.7720 175.4001 27 S 4.7053 8.6049 121.1393 57.9323 64.2625 175.3858 28 L 4.0024 8.8007 121.8624 57.7416 41.3334 179.5171 29 R 3.9075 8.1574 118.7087 59.7246 29.9123 178.5442 30 S 4.1488 8.1495 113.7575 61.4341 62.8926 176.5711 31 I 3.6948 7.6482 123.3927 63.8570 36.7840 177.9483 32 A 3.9316 8.5741 122.2719 55.4981 18.0085 179.7622 33 Q 3.9082 8.3594 116.6198 59.1628 28.5766 178.6158 34 D 4.3421 7.9468 117.9577 56.6415 41.3630 177.4421 35 K 4.2937 8.1483 116.1038 54.8145 33.2562 176.0252 36 N 4.1331 7.5259 115.7436 54.8075 36.4882 173.4274 37 L 4.6589 7.7756 115.7941 52.1643 45.4166 177.6835 38 S 4.2085 8.3913 114.7645 58.1923 63.0856 174.3169 39 E 3.9096 8.8848 130.1512 59.8215 29.2990 178.0569 40 H 4.2043 8.2465 116.4940 59.4135 30.1768 176.1778 41 Y 4.2980 8.2681 121.3007 60.8094 38.7246 177.7170 42 L 3.8530 8.2341 120.0135 57.8671 41.4256 179.4005 43 E 3.9663 8.2457 117.9616 59.1974 29.4248 178.7820 44 Q 4.0904 7.7929 116.5185 57.4712 28.6790 177.3862 45 L 4.1550 7.4217 119.9807 56.4857 42.1137 178.6530 46 I 3.6551 7.5027 118.4825 63.6326 37.8707 177.4827 47 G 3.6397 8.0030 106.3351 47.5264 0.0000 173.3069 48 P 4.2459 0.0000 0.0000 64.9866 31.4416 178.7018 49 L 3.9293 7.4974 116.4431 57.7647 41.5434 179.6232 50 R 4.1894 8.3299 120.2159 59.1582 29.8868 178.3781 51 N 4.3792 8.6029 114.9381 55.7607 38.5754 176.3127 52 A 4.3707 7.7633 119.9343 51.8263 18.9395 178.0776 53 G 3.9073 7.9367 105.6003 45.6910 0.0000 174.9130 54 I 4.0530 7.8889 122.5582 63.1775 37.8627 176.3351 55 V 5.0201 7.7714 113.0833 59.3415 36.0940 174.8645 56 K 4.8654 9.0948 121.5847 54.6709 35.5065 175.6507 57 S 4.5443 8.6697 118.2514 57.3722 64.8783 173.3549 58 I 4.5594 8.3185 123.5267 59.4283 39.9481 175.6669 59 R 4.3771 8.5626 123.8024 55.7944 31.1969 176.1476 60 G 3.8532 8.9200 104.9351 44.4176 0.0000 174.2263 61 A 3.8711 8.4133 121.0706 55.2340 18.0613 178.6574 62 H 4.8924 8.0124 110.1598 55.6598 29.7159 175.5944 63 G 4.0410 8.6938 112.3861 45.6258 0.0000 173.1241 64 G 3.7709 6.5793 109.3264 45.2042 0.0000 171.8754 65 Y 5.2479 8.9130 121.8628 56.3120 42.4360 175.1226 66 V 4.8418 8.6902 113.7508 59.1571 36.3217 174.9704 67 L 4.2734 8.5458 125.2943 55.3037 42.8880 176.2762 68 N 4.4628 9.0334 125.9731 52.7454 38.5863 175.7765 69 G 3.8677 8.8322 118.6209 46.5717 0.0000 173.2003 70 D 4.8378 8.3901 125.1522 51.4656 42.4517 175.1967 71 P 4.4052 0.0000 0.0000 65.3289 31.5355 177.7675 72 E 4.3052 8.3300 116.0177 57.2314 29.7491 177.2339 73 K 4.4124 8.0840 117.8145 57.0276 34.3627 176.9464 74 I 4.0397 7.6356 120.7467 61.1669 37.2099 175.5940 75 T 4.8634 8.7459 115.5660 59.9652 70.9140 175.7468 76 A 4.1087 8.7867 124.3366 55.2142 18.1351 180.3451 77 G 3.6065 8.3950 104.5695 47.8259 0.0000 175.4183 78 D 4.3995 8.2057 121.3998 57.4436 41.0244 179.2748 79 I 3.7256 7.3729 118.9313 64.4415 37.1796 178.6348 80 I 3.6739 8.2259 120.7994 64.6320 36.8039 178.9212 81 R 4.0981 8.0878 117.3979 59.0935 29.8645 179.0025 82 T 4.0115 7.5034 115.5612 66.1594 68.5309 175.9715 83 L 4.3286 7.6444 118.6995 54.8885 42.6059 176.9631 84 E 4.3819 7.7563 117.9178 54.5684 30.7385 176.0847 85 G 3.8391 8.2273 110.2951 44.4144 0.0000 171.4803 86 P 4.2187 0.0000 0.0000 62.7555 31.5864 176.1815 87 I 4.2695 8.1444 123.6236 59.4314 38.4859 175.2855 88 V 3.9045 8.1894 125.9228 61.9451 32.1617 175.3462 89 L 4.1409 8.6390 129.8319 57.4684 42.3690 176.9711 90 V 4.2304 7.1645 114.4776 60.1398 33.8846 172.5238 91 E 4.5056 8.0741 122.3390 54.4478 32.0073 176.3105 92 S 4.9109 8.0004 123.1168 57.5306 63.1313 173.7692 *94 E 4.4696 8.7914 114.1202 56.4952 31.0991 177.6363 95 D 4.2931 8.0761 116.0346 55.5388 39.8123 176.6134 96 E 4.1139 7.7610 120.1012 56.4541 30.1739 176.0408 97 E 4.5798 8.3555 120.8342 54.2448 33.4771 176.8452 98 A 3.9755 8.5337 120.7117 55.7832 17.8714 179.7269 99 A 3.8607 7.7779 117.5473 55.3456 18.9139 179.4563 100 Q 3.6634 7.8074 116.0367 59.0671 28.8202 178.9967 101 R 3.9560 7.8898 118.8700 58.9944 30.0082 178.7529 102 E 3.8651 7.9034 119.5401 58.8699 29.3485 178.5210 103 L 3.8172 7.1133 119.1181 57.9066 42.1753 178.6657 104 W 4.8766 7.3741 117.0307 60.1958 29.2602 178.0616 105 T 4.1741 8.2916 115.8356 66.7042 67.9276 178.0316 106 R 4.2142 7.9083 117.7458 56.4887 29.8795 178.7882 *108 R 4.2342 7.9441 120.2369 56.5679 31.9505 177.1581 109 N 4.3209 8.4794 115.2681 56.2507 38.4320 177.3615 110 A 3.9860 8.0333 122.1961 55.1380 18.5177 179.9280 111 V 3.5433 7.7036 116.3771 65.9732 31.6215 178.0309 112 R 3.8720 8.2187 118.6474 59.6412 29.9491 178.2097 113 D 4.3391 8.1211 118.6870 57.2327 40.7428 178.9453 114 V 3.5621 7.7461 118.6070 66.1213 31.4817 178.1102 115 L 3.9955 8.0800 118.6675 57.7309 41.2622 178.7658 116 D 4.5308 8.2908 116.9049 55.2985 41.1851 177.0035 117 Q 4.5018 7.9476 116.2417 55.6395 30.5919 175.4182 118 T 4.4862 7.9263 116.9514 62.5956 69.3853 174.7750 119 T 4.9474 8.7331 117.9166 60.1749 72.1410 175.7764 120 L 4.0091 8.4617 121.0921 58.0348 41.5546 180.1274 121 S 4.1285 8.1173 115.1540 61.6036 62.5240 176.3304 122 D 4.3740 7.8188 120.5264 57.4952 41.0247 178.6867 123 L 4.1638 7.9271 119.3094 57.8393 41.4139 179.5761 124 L 4.0832 7.9142 117.9097 57.7492 41.5799 179.4486 125 K 3.8760 8.0576 117.8727 57.7896 33.1405 177.1807 126 H 4.0676 7.5894 113.3926 56.5143 27.5591 174.8229 127 S 4.4659 7.6425 112.3248 59.7796 64.3375 174.8611 128 T 4.2379 7.6383 118.8124 62.3350 69.1010 173.8425 129 D 4.4218 8.7304 126.3315 54.3572 41.5355 176.2405 130 S 4.2941 8.7889 121.9665 59.7136 63.2568 175.2349 131 E 3.7477 8.2657 116.7655 56.3898 27.5788 175.1182 132 L 4.1247 7.4584 119.8297 53.9988 39.9515 176.7851 133 T 3.9240 8.1622 114.7132 64.1602 69.0766 174.0557 134 D 4.1945 7.9262 118.9862 52.7997 41.8703 175.6961 135 G 3.5945 8.1669 107.3192 45.5887 0.0000 172.8578 136 Y 4.3810 7.8669 110.3104 55.8132 38.0600 174.0779 *138 F 4.0939 7.8358 116.7360 57.2052 39.5189 174.1930 139 Y 4.5271 8.0118 123.1439 56.9925 38.9424 176.1927 140 I 4.1128 8.4385 115.9656 61.1687 38.0360 175.5585 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 *-3 Y 8.14 4.62 0.00 2.35 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 0.00 0.00 0.00 0.00 -2 F 8.59 4.50 0.00 2.95 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 -1 Q 8.47 4.36 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 0 G 8.84 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 0.00 0.00 0.00 -1 K 8.44 4.34 0.00 1.71 1.77 0.00 0.61 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.37 7.81 0 I 8.51 3.87 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 1.30 0.48 0.91 0.00 0.00 4 T 8.55 4.23 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 1.18 0.00 0.00 5 T 7.98 3.45 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 0.71 0.00 0.00 6 K 7.85 3.93 0.00 2.02 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 7 G 8.65 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 8 R 7.80 3.94 0.00 1.76 2.02 0.00 2.95 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 9 Y 8.56 4.52 0.00 3.01 2.91 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 10 G 8.56 3.79 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 0.00 11 L 8.04 4.10 0.00 1.93 1.74 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.06 3.89 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 1.17 0.00 0.00 13 I 8.01 3.64 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.83 0.00 0.00 14 T 8.11 3.86 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 1.22 0.00 0.00 15 L 8.45 4.04 0.00 1.73 1.77 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.16 3.96 0.00 2.18 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 2.52 2.49 0.00 17 L 8.02 4.02 0.00 1.76 1.76 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.17 4.15 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 19 K 8.20 4.10 0.00 1.91 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.65 7.81 20 R 7.64 4.64 0.00 1.90 2.02 0.00 3.54 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 21 I 8.03 3.69 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.92 0.00 0.00 22 G 8.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.28 4.55 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.90 3.82 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 0.00 0.00 0.00 25 P 0.00 4.53 0.00 1.92 2.00 0.00 3.63 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 2.00 2.09 0.00 26 I 8.92 4.66 1.93 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 1.41 0.98 0.94 0.00 0.00 27 S 8.60 4.71 0.00 3.94 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 28 L 8.80 4.00 0.00 1.76 1.76 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.16 3.91 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 30 S 8.15 4.15 0.00 4.11 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 0.00 31 I 7.65 3.69 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.87 0.00 0.00 32 A 8.57 3.93 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 33 Q 8.36 3.91 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 34 D 7.95 4.34 0.00 2.77 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 35 K 8.15 4.29 0.00 1.69 1.71 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.54 7.81 36 N 7.53 4.13 0.00 2.79 2.83 0.00 0.00 6.70 7.64 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 37 L 7.78 4.66 0.00 1.40 1.27 0.36 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.39 4.21 0.00 3.93 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 39 E 8.88 3.91 0.00 2.09 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 2.41 2.39 0.00 40 H 8.25 4.20 0.00 3.16 3.40 0.00 5.98 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.27 4.30 0.00 3.10 3.17 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 42 L 8.23 3.85 0.00 1.83 1.62 0.85 0.91 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 43 E 8.25 3.97 0.00 2.11 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 2.38 2.52 0.00 44 Q 7.79 4.09 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 45 L 7.42 4.15 0.00 1.61 1.54 0.84 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.50 3.66 1.50 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.23 0.74 0.00 0.00 47 G 8.00 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 0.00 0.00 0.00 48 P 0.00 4.25 0.00 2.10 2.09 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 49 L 7.50 3.93 0.00 1.81 1.66 0.83 0.74 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 50 R 8.33 4.19 0.00 1.97 2.10 0.00 3.35 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 51 N 8.60 4.38 0.00 2.67 2.87 0.00 0.00 7.05 7.21 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 52 A 7.76 4.37 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 53 G 7.94 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 54 I 7.89 4.05 1.98 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 1.22 0.68 0.90 0.00 0.00 55 V 7.77 5.02 2.28 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 0.90 0.00 0.00 0.95 0.00 0.00 56 K 9.09 4.87 0.00 1.67 1.66 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.36 7.81 57 S 8.67 4.54 0.00 3.59 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.56 1.76 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 1.24 0.53 0.86 0.00 0.00 59 R 8.56 4.38 0.00 1.77 1.88 0.00 2.96 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 60 G 8.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.41 3.87 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 62 H 8.01 4.89 0.00 3.14 3.30 0.00 5.69 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 63 G 8.69 4.04 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 0.00 0.00 0.00 64 G 6.58 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 0.00 0.00 0.00 65 Y 8.91 5.25 0.00 2.87 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 66 V 8.69 4.84 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 0.74 0.00 0.00 1.00 0.00 0.00 67 L 8.55 4.27 0.00 1.65 1.58 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 N 9.03 4.46 0.00 2.75 2.94 0.00 0.00 7.23 7.69 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 69 G 8.83 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 70 D 8.39 4.84 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.41 0.00 2.22 2.09 0.00 3.64 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 2.12 0.00 72 E 8.33 4.31 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 73 K 8.08 4.41 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 74 I 7.64 4.04 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 1.47 0.72 0.91 0.00 0.00 75 T 8.75 4.86 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 1.28 0.00 0.00 76 A 8.79 4.11 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 G 8.39 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 78 D 8.21 4.40 0.00 2.91 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 79 I 7.37 3.73 1.96 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 1.69 1.41 0.91 0.00 0.00 80 I 8.23 3.67 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 0.88 0.00 0.00 81 R 8.09 4.10 0.00 1.83 1.98 0.00 3.15 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 82 T 7.50 4.01 4.38 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 1.20 0.00 0.00 83 L 7.64 4.33 0.00 1.60 1.65 0.91 0.78 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 84 E 7.76 4.38 0.00 1.99 1.83 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 2.26 2.35 0.00 85 G 8.23 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 86 P 0.00 4.22 0.00 2.03 2.00 0.00 3.63 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 2.01 2.10 0.00 87 I 8.14 4.27 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.89 0.00 0.00 88 V 8.19 3.90 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 0.74 0.00 0.00 0.90 0.00 0.00 89 L 8.64 4.14 0.00 1.61 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.16 4.23 1.72 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 0.40 0.00 0.00 -0.32 0.00 0.00 91 E 8.07 4.51 0.00 1.82 1.72 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 2.13 2.20 0.00 92 S 8.00 4.91 0.00 3.99 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 *94 E 8.79 4.47 0.00 2.11 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 0.00 2.31 2.32 0.00 95 D 8.08 4.29 0.00 2.78 2.83 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 96 E 7.76 4.11 0.00 2.26 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 2.58 2.40 0.00 97 E 8.36 4.58 0.00 1.97 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 2.31 2.50 0.00 98 A 8.53 3.98 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 99 A 7.78 3.86 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 0.00 100 Q 7.81 3.66 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 101 R 7.89 3.96 0.00 2.00 2.04 0.00 3.18 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 102 E 7.90 3.87 0.00 2.04 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 0.00 2.25 2.29 0.00 103 L 7.11 3.82 0.00 1.30 0.98 0.87 0.82 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 0.00 104 W 7.37 4.88 0.00 3.44 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 0.00 105 T 8.29 4.17 4.45 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 1.24 0.00 0.00 106 R 7.91 4.21 0.00 2.02 1.96 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 *108 R 7.94 4.23 0.00 2.03 2.19 0.00 3.37 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 109 N 8.48 4.32 0.00 2.91 2.88 0.00 0.00 6.99 7.61 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 0.00 110 A 8.03 3.99 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 0.00 111 V 7.70 3.54 2.09 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 1.02 0.00 0.00 0.95 0.00 0.00 112 R 8.22 3.87 0.00 1.97 2.11 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 113 D 8.12 4.34 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.75 3.56 2.26 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 1.02 0.00 0.00 0.99 0.00 0.00 115 L 8.08 4.00 0.00 1.91 1.69 0.91 0.91 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 0.00 116 D 8.29 4.53 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.95 4.50 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 118 T 7.93 4.49 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 1.21 0.00 0.00 119 T 8.73 4.95 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 1.27 0.00 0.00 120 L 8.46 4.01 0.00 1.88 1.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.12 4.13 0.00 3.97 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 0.00 122 D 7.82 4.37 0.00 2.88 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 0.00 123 L 7.93 4.16 0.00 1.86 1.73 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.91 4.08 0.00 1.75 1.74 0.93 0.81 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 0.00 125 K 8.06 3.88 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.56 7.81 126 H 7.59 4.07 0.00 3.35 3.63 0.00 5.74 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 0.00 127 S 7.64 4.47 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 0.00 128 T 7.64 4.24 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 1.25 0.00 0.00 129 D 8.73 4.42 0.00 2.64 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 0.00 130 S 8.79 4.29 0.00 4.17 4.10 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 0.00 131 E 8.27 3.75 0.00 2.18 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 2.24 2.46 0.00 132 L 7.46 4.12 0.00 1.42 1.41 0.11 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.16 3.92 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 0.00 134 D 7.93 4.19 0.00 2.64 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 0.00 135 G 8.17 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 0.00 136 Y 7.87 4.38 0.00 2.88 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 *138 F 7.84 4.09 0.00 3.00 3.11 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 0.00 139 Y 8.01 4.53 0.00 2.99 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 0.00 140 I 8.44 4.11 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.