NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5655 8.2227 119.5459 53.2615 42.4225 177.3168 5 I 3.8862 7.6510 120.0046 61.7395 38.1738 175.5979 6 S 2.0000 8.4043 115.0493 59.2572 63.9207 174.6392 7 D 4.2497 8.0643 120.7815 55.6748 40.4702 176.6791 8 F 4.7846 7.5434 117.5306 57.4384 40.0622 177.1232 9 Y 3.4488 7.4821 120.4901 60.9515 37.5892 177.3984 10 Q 4.1482 8.1867 120.0779 60.0508 28.9737 179.0736 11 T 3.9571 7.9385 115.7845 66.4478 68.5320 176.3733 12 F 4.2588 7.7226 122.4517 61.4110 39.5082 177.0119 13 F 4.3097 8.2827 117.8685 60.7760 38.7031 177.3266 14 D 4.2724 8.2336 117.3816 57.2698 41.0779 177.6644 15 E 3.8610 8.2569 119.6425 59.3203 29.5256 178.5852 16 A 3.8358 8.0911 120.8498 55.2356 18.3933 179.2095 17 D 4.2779 7.9599 117.2711 57.6330 40.9007 179.0249 18 E 3.9669 8.0857 118.8447 59.5530 29.2880 179.5551 19 L 4.0431 8.1023 118.0274 57.5902 41.6704 179.2728 20 L 4.1422 8.0235 118.7353 57.4404 41.8258 178.9728 21 A 4.1944 8.1103 120.8471 55.0839 18.2580 180.4106 22 D 4.0923 8.0194 115.0964 54.7819 40.7317 178.2777 *24 E 4.2180 8.1250 121.7197 56.3842 31.6261 177.5545 25 Q 3.9491 8.0496 119.1259 59.5614 28.8077 177.9104 26 H 4.2848 8.0809 116.1609 58.7779 29.0673 177.4218 27 L 4.2322 7.9688 120.2734 58.0404 41.3640 179.5444 28 L 4.1027 8.0043 117.3480 57.3521 41.6095 178.4488 29 D 4.6409 7.7567 116.5607 53.8983 41.6115 176.9700 30 L 4.0441 7.1438 119.8400 54.7350 42.3101 177.3132 31 V 4.1717 8.0906 122.7308 60.2856 31.2681 174.2467 32 P 4.2604 0.0000 0.0000 65.7132 30.9480 177.9726 33 E 4.1391 8.1241 115.4618 57.8664 30.4374 177.0259 34 S 4.6444 7.9850 113.9419 55.9508 62.9340 172.7139 35 P 4.2379 0.0000 0.0000 63.2050 32.0816 176.3087 36 D 4.2789 8.8407 122.7081 54.1514 41.7744 176.1585 37 A 4.0020 8.9806 129.0089 55.6879 17.8243 178.8955 38 E 3.9291 8.2872 116.7479 59.1242 29.8515 178.8908 39 Q 3.9397 8.1761 118.4643 58.6626 28.8108 178.2952 40 L 4.0439 7.8160 119.5505 57.8956 41.6900 179.0408 41 N 4.3301 8.3741 116.2402 56.3378 38.4504 177.3327 42 A 4.0179 7.6633 121.5850 55.0391 18.4492 179.8126 43 I 3.6833 7.6924 118.0657 64.4185 37.1676 178.3808 44 F 4.0033 8.4655 121.6844 61.4540 39.1588 177.4299 45 R 3.9398 8.4815 117.6027 58.9648 29.7236 178.9544 46 A 3.9384 8.1330 120.4407 55.0781 18.3850 179.4811 47 A 3.8430 7.8840 119.2568 55.5698 18.4314 179.2673 48 H 4.6560 8.0430 118.3906 58.9567 29.9016 177.6707 49 S 4.0815 8.2516 117.0465 61.7395 62.6361 176.7450 50 I 3.9812 8.0297 122.7204 64.2116 36.7302 178.3807 51 K 4.1039 7.7856 122.0910 58.9395 31.9564 179.0973 52 G 3.5433 8.0271 106.1200 47.6640 0.0000 175.9129 53 G 3.2399 8.0812 107.8667 47.2771 0.0000 175.6344 54 A 3.9317 8.2053 123.5712 54.6334 18.3753 180.0248 55 G 3.3176 8.1289 104.3810 48.2735 0.0000 175.7906 56 T 3.4930 7.2879 117.7063 65.8155 68.4268 175.6185 57 F 4.6176 6.8047 115.8665 56.1150 39.1557 175.8944 58 G 3.7641 7.3636 106.3911 47.2111 0.0000 176.0995 59 F 4.6865 7.5852 119.4926 55.3024 35.9684 175.4102 60 T 3.8870 7.9415 119.8244 67.1433 68.8562 175.3957 61 I 2.9256 7.7415 120.4809 64.2384 37.0561 178.2280 62 L 4.7083 7.8986 122.1590 57.6184 41.8957 178.5725 63 Q 3.9985 8.4496 119.8868 59.3805 28.9978 178.1696 64 E 4.0766 8.4668 120.1883 59.5206 29.4972 178.8071 65 T 4.0066 7.9721 115.0081 67.0565 68.7477 176.4757 66 T 4.0480 8.4434 112.0734 64.8016 68.7878 175.9141 67 H 4.3110 8.5155 121.4281 59.1011 29.6932 178.6898 68 L 3.8849 7.7488 118.8645 54.9560 41.3272 178.7919 *70 E 4.1943 8.1617 121.4096 56.3706 31.5536 177.4523 71 N 4.4635 8.0823 115.9634 56.3533 38.4888 177.4678 72 L 4.1137 7.7756 120.3458 57.8628 41.7607 179.5589 73 L 4.0967 7.9043 118.4087 57.5390 41.5725 178.9112 74 D 4.0871 8.5306 118.6318 57.1188 41.1547 178.0772 75 E 3.9396 8.2296 118.8276 59.5118 29.4140 179.2707 76 A 4.0673 8.1901 120.9858 55.0580 18.2009 179.8329 77 R 3.9544 8.0086 113.9902 59.1491 29.8307 178.6057 78 R 4.1211 7.9213 116.5394 56.4111 30.2171 177.5198 79 G 3.9455 7.5763 106.9712 45.8155 0.0000 173.7009 80 E 4.2026 8.0313 117.6203 56.6274 29.2289 176.3920 *82 Q 4.0362 7.8722 118.6355 56.0046 29.8807 174.3266 83 L 4.6376 8.0463 123.6184 53.5869 44.2506 174.6192 84 N 4.7033 7.7571 115.8999 51.3563 39.7482 175.3252 85 T 3.9130 8.3353 108.0978 64.9632 68.6624 176.1728 86 D 4.2997 8.0709 121.2935 57.2280 40.8850 178.5677 87 I 3.3830 8.3299 120.6286 64.3765 37.0300 178.5777 88 I 3.7154 7.5012 120.3912 64.4952 36.8890 178.3023 89 N 4.3664 8.2696 117.3731 56.0976 38.2400 177.2633 90 L 3.9987 7.8256 121.9272 58.0477 42.0519 179.0511 91 F 4.6346 8.1557 118.0141 60.6504 38.7693 177.6320 92 L 4.0604 8.3311 118.8220 57.8292 41.4489 179.2032 93 E 4.1558 8.4865 119.3129 59.6100 29.3418 179.0340 94 T 3.9720 8.0115 115.3010 66.3594 68.5706 176.2949 95 K 4.1215 8.1539 120.9739 59.5544 32.5106 178.1468 96 D 4.6215 8.3595 119.3446 57.4428 40.7801 180.0708 97 I 4.3677 7.7745 119.1742 61.5985 37.0916 178.0103 *99 Q 4.2287 8.0951 122.6657 56.2639 31.0378 176.9239 100 E 3.9420 7.9265 116.9791 59.3447 29.4872 179.4003 101 Q 3.7366 8.2225 118.1632 58.7101 28.7676 178.4114 102 L 4.1061 7.8874 120.7768 58.5277 42.1131 178.6461 103 D 4.1341 8.3552 118.6730 56.9370 40.5096 178.8931 104 A 3.7570 7.4641 121.1502 55.3266 18.3670 179.1450 105 Y 3.9799 7.1312 115.2074 61.2321 37.6052 179.0907 106 K 3.0555 7.3668 118.3321 58.6758 32.0315 177.9747 107 N 4.7101 7.0880 113.5699 51.9748 38.8268 174.9400 108 S 3.8458 8.2093 115.3878 59.8919 61.0297 171.7955 109 E 4.6889 8.1193 117.8340 54.4636 32.1749 175.4627 110 E 4.2851 8.1985 119.4078 54.4276 30.6906 174.9822 111 P 4.1636 0.0000 0.0000 61.8210 32.4290 175.9931 112 D 4.4115 8.3703 118.4475 54.1396 41.8764 176.4557 113 A 4.1483 8.6799 129.3443 55.2081 18.5512 179.0425 114 A 4.0251 8.1073 118.8668 55.5256 18.5635 179.9201 115 S 4.2576 8.7384 113.8701 61.5124 62.8663 176.6806 116 F 4.3724 8.2487 122.9864 61.5557 39.2172 177.0961 117 E 3.6548 8.3094 118.1585 59.3019 29.2324 178.7755 118 Y 4.0579 8.2051 119.6183 60.7672 38.8582 177.9488 119 I 2.9523 7.7284 119.5382 63.9777 38.0175 177.6415 120 C 3.9968 7.8174 117.6126 62.7078 27.8753 175.7998 121 N 4.2058 8.0441 117.8390 56.2775 38.1587 177.3690 122 A 3.9244 7.7634 122.0812 55.0829 18.5149 179.7351 123 L 3.9743 8.0432 117.7666 57.9218 41.7051 179.8387 124 R 4.0567 8.1840 117.9148 58.7041 29.9168 179.0979 125 Q 3.9465 7.9481 118.4132 58.7166 28.6513 178.2047 126 L 4.0566 7.9860 121.1443 58.1623 41.9015 178.8490 127 A 3.9996 7.6787 119.2889 54.9542 18.5991 179.0443 128 L 4.0388 7.8481 118.7014 58.5518 42.0239 179.1875 129 E 3.9997 8.3036 117.0454 59.2771 29.3940 178.9905 130 A 4.1862 8.2796 122.9935 55.0110 18.4652 178.6651 131 K 4.2737 7.8184 126.3008 57.1074 32.0695 180.6572 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 4 D 8.22 4.57 0.00 2.62 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 5 I 7.65 3.89 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.49 0.95 0.00 0.00 6 S 8.40 2.00 0.00 3.44 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 7 D 8.06 4.25 0.00 2.01 2.18 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 8 F 7.54 4.78 0.00 3.35 3.18 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 9 Y 7.48 3.45 0.00 2.73 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 0.00 0.00 0.00 0.00 10 Q 8.19 4.15 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 11 T 7.94 3.96 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 1.30 0.00 0.00 12 F 7.72 4.26 0.00 3.14 3.06 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 13 F 8.28 4.31 0.00 3.26 2.96 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 14 D 8.23 4.27 0.00 2.86 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 15 E 8.26 3.86 0.00 2.20 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 2.37 0.00 16 A 8.09 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.96 4.28 0.00 2.86 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 18 E 8.09 3.97 0.00 2.19 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 2.45 2.50 0.00 19 L 8.10 4.04 0.00 1.70 1.73 1.00 0.92 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 20 L 8.02 4.14 0.00 1.79 1.73 0.97 0.79 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 21 A 8.11 4.19 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 22 D 8.02 4.09 0.00 2.87 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 *24 E 8.12 4.22 0.00 2.04 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 2.28 2.33 0.00 25 Q 8.05 3.95 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 26 H 8.08 4.28 0.00 3.20 3.35 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.97 4.23 0.00 1.93 1.81 1.02 0.84 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 28 L 8.00 4.10 0.00 1.79 1.76 0.93 0.96 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 29 D 7.76 4.64 0.00 2.72 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 30 L 7.14 4.04 0.00 1.90 1.65 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.09 4.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.95 0.00 0.00 32 P 0.00 4.26 0.00 2.22 2.21 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 33 E 8.12 4.14 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 34 S 7.98 4.64 0.00 3.95 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 35 P 0.00 4.24 0.00 2.23 2.16 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 36 D 8.84 4.28 0.00 2.78 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 37 A 8.98 4.00 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 38 E 8.29 3.93 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 39 Q 8.18 3.94 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.72 0.00 40 L 7.82 4.04 0.00 1.84 1.73 0.95 0.79 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 41 N 8.37 4.33 0.00 2.74 2.89 0.00 0.00 6.93 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 42 A 7.66 4.02 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 43 I 7.69 3.68 2.01 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 1.46 1.15 0.83 0.00 0.00 44 F 8.47 4.00 0.00 3.05 3.27 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 45 R 8.48 3.94 0.00 2.01 2.01 0.00 3.34 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 46 A 8.13 3.94 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 47 A 7.88 3.84 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 48 H 8.04 4.66 0.00 2.61 3.24 0.00 5.83 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 49 S 8.25 4.08 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 50 I 8.03 3.98 2.04 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 1.44 0.77 1.09 0.00 0.00 51 K 7.79 4.10 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 52 G 8.03 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 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 0.00 0.00 0.00 54 A 8.21 3.93 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 55 G 8.13 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 0.00 0.00 0.00 56 T 7.29 3.49 3.20 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 0.37 0.00 0.00 57 F 6.80 4.62 0.00 1.51 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 0.00 0.00 0.00 58 G 7.36 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 59 F 7.59 4.69 0.00 2.78 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 0.00 0.00 0.00 0.00 60 T 7.94 3.89 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 1.23 0.00 0.00 61 I 7.74 2.93 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.40 0.54 0.00 0.00 62 L 7.90 4.71 0.00 2.12 2.05 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.45 4.00 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 64 E 8.47 4.08 0.00 2.32 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 0.00 2.62 2.62 0.00 65 T 7.97 4.01 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 66 T 8.44 4.05 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 1.40 0.00 0.00 67 H 8.52 4.31 0.00 3.32 3.56 0.00 5.61 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 68 L 7.75 3.88 0.00 1.89 1.65 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *70 E 8.16 4.19 0.00 2.01 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 2.33 1.81 0.00 71 N 8.08 4.46 0.00 2.98 2.88 0.00 0.00 7.08 6.71 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 72 L 7.78 4.11 0.00 1.82 2.03 1.14 0.65 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 73 L 7.90 4.10 0.00 1.97 1.85 0.71 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.53 4.09 0.00 3.22 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 75 E 8.23 3.94 0.00 2.34 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 2.35 2.57 0.00 76 A 8.19 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 3.95 0.00 1.89 2.08 0.00 2.95 0.00 0.00 2.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 78 R 7.92 4.12 0.00 1.85 1.97 0.00 3.29 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 79 G 7.58 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 0.00 0.00 0.00 80 E 8.03 4.20 0.00 2.07 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 2.33 2.23 0.00 *82 Q 7.87 4.04 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 83 L 8.05 4.64 0.00 1.88 1.59 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.76 4.70 0.00 2.87 2.88 0.00 0.00 5.67 7.22 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 85 T 8.34 3.91 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 1.21 0.00 0.00 86 D 8.07 4.30 0.00 2.85 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 87 I 8.33 3.38 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.22 0.00 0.00 88 I 7.50 3.72 1.87 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 1.62 0.72 0.98 0.00 0.00 89 N 8.27 4.37 0.00 2.89 2.87 0.00 0.00 6.64 6.23 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 90 L 7.83 4.00 0.00 1.67 1.58 0.88 0.67 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 91 F 8.16 4.63 0.00 3.31 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 92 L 8.33 4.06 0.00 1.92 1.77 0.96 0.72 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 93 E 8.49 4.16 0.00 2.26 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 0.00 2.57 2.60 0.00 94 T 8.01 3.97 4.55 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 1.27 0.00 0.00 95 K 8.15 4.12 0.00 1.86 2.09 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.65 7.81 96 D 8.36 4.62 0.00 3.01 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 97 I 7.77 4.37 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.04 1.02 0.00 0.00 *99 Q 8.10 4.23 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 100 E 7.93 3.94 0.00 2.20 1.94 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 2.31 2.49 0.00 101 Q 8.22 3.74 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 102 L 7.89 4.11 0.00 1.80 1.77 1.13 1.26 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 0.00 103 D 8.36 4.13 0.00 2.73 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 0.00 104 A 7.46 3.76 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.13 3.98 0.00 2.82 2.46 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 0.00 106 K 7.37 3.06 0.00 1.53 1.53 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.41 0.80 7.81 107 N 7.09 4.71 0.00 2.84 2.77 0.00 0.00 7.06 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 0.00 108 S 8.21 3.85 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.12 4.69 0.00 1.98 1.74 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 2.20 2.32 0.00 110 E 8.20 4.29 0.00 1.89 1.79 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 2.26 2.26 0.00 111 P 0.00 4.16 0.00 1.80 1.74 0.00 3.41 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.00 112 D 8.37 4.41 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.68 4.15 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 0.00 114 A 8.11 4.03 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 0.00 115 S 8.74 4.26 0.00 3.97 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 0.00 116 F 8.25 4.37 0.00 3.18 3.35 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 0.00 117 E 8.31 3.65 0.00 2.09 1.94 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 2.32 2.60 0.00 118 Y 8.21 4.06 0.00 3.00 3.13 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 0.00 119 I 7.73 2.95 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 1.00 0.00 0.00 120 C 7.82 4.00 0.00 2.67 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 0.00 121 N 8.04 4.21 0.00 2.90 2.81 0.00 0.00 6.92 6.95 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 0.00 122 A 7.76 3.92 1.10 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 0.00 0.00 123 L 8.04 3.97 0.00 1.79 1.73 0.94 1.30 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 0.00 124 R 8.18 4.06 0.00 1.87 1.94 0.00 3.10 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 125 Q 7.95 3.95 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 126 L 7.99 4.06 0.00 1.72 1.80 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.68 4.00 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 0.00 128 L 7.85 4.04 0.00 2.06 1.77 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.30 4.00 0.00 2.08 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 2.33 2.64 0.00 130 A 8.28 4.19 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 K 7.82 4.27 0.00 1.89 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.