NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2645 8.2601 123.5774 52.3936 19.1754 175.7952 3 A 4.4030 7.9465 123.3861 49.4789 22.6297 173.4703 4 P 4.6421 0.0000 0.0000 62.1447 31.7578 176.4698 5 I 3.8011 7.5415 111.6281 63.9162 38.2761 177.0531 6 L 4.6855 7.6460 120.6897 54.0134 41.9713 178.2244 7 K 4.3208 7.7415 120.6062 59.2360 32.2485 177.3028 8 D 4.6197 7.9908 116.5106 54.5935 41.5848 176.0471 9 V 3.9851 7.8978 121.6766 62.1504 33.2025 174.9119 10 V 4.8105 8.9271 128.0038 61.3964 33.1136 173.8506 11 A 5.2278 9.2011 130.6515 50.5655 21.6996 174.7487 12 Y 4.9675 8.8223 121.5215 55.6483 41.8653 174.4474 13 V 4.6936 7.6660 125.6656 61.2160 34.2066 174.9262 14 E 4.5934 9.3553 127.0425 54.4545 32.3430 173.5282 15 V 4.6531 8.9010 123.7862 60.7797 34.1567 174.1055 16 W 5.2321 8.9755 127.6793 54.2059 32.8949 175.8402 17 S 4.4403 8.7396 116.7349 58.6490 63.1320 175.6968 18 S 4.3030 9.1417 117.3963 61.2298 62.7179 175.2229 19 N 4.5163 8.2094 114.4788 52.6271 37.2997 175.2636 20 G 3.8714 8.1141 106.6908 46.9111 0.0000 174.7986 21 T 4.4355 8.0812 110.7337 61.5129 70.1527 174.6745 22 E 4.2013 8.2201 122.2484 54.0255 31.5100 174.2312 23 N 3.3181 7.7082 122.1444 51.8428 39.1191 173.3348 24 Y 4.7177 8.0263 123.5898 58.1686 38.3969 178.0590 25 S 4.1975 8.2238 119.8098 61.4937 62.6566 176.4835 26 K 3.8620 7.9254 121.9207 59.8672 32.0452 178.6336 27 T 3.7268 7.6424 113.0473 64.9642 67.1688 176.3760 28 F 4.0302 7.9750 119.4307 60.3277 38.8930 177.4621 29 T 3.8961 8.2202 115.8234 67.1538 68.2872 176.4379 30 T 3.8235 7.9975 117.4375 66.8581 68.2270 176.6656 31 Q 3.9083 7.6895 118.5512 58.8055 29.1562 178.5309 32 L 4.0842 8.0353 119.9640 57.9389 41.5225 179.7334 33 V 3.9472 7.6832 118.1821 65.2339 31.5305 178.3832 34 D 4.6325 8.0410 118.9439 53.9191 40.9911 177.4760 *36 G 3.8103 8.1486 107.4624 44.7626 0.0000 173.4601 37 A 4.5445 7.6808 121.9558 51.7409 20.0393 176.4759 38 K 4.4162 8.7127 121.1904 55.4335 34.0455 175.6374 39 V 4.8770 8.2946 126.5406 61.1742 33.4579 174.5772 40 S 4.6239 9.0442 123.9112 57.5301 62.6282 174.6276 41 K 4.3045 9.0236 126.0295 58.5208 32.2949 177.0144 42 T 4.8250 7.5137 107.3904 59.7031 71.4484 174.2995 43 F 4.2976 8.0866 125.9245 56.7344 38.0328 174.5376 44 N 4.8845 7.8469 123.6287 50.4119 39.8891 176.5641 45 K 4.1399 8.4076 116.3125 58.9423 32.2155 178.3007 46 Q 4.1180 8.2104 119.3660 57.8434 29.2782 176.3834 47 V 3.9387 7.7271 118.2718 63.3685 32.0653 175.3298 48 T 4.5519 9.1986 116.9918 62.4767 71.2214 174.0479 49 H 5.1793 8.0549 118.6269 53.8508 33.3614 172.2977 50 V 4.7202 8.9030 123.0262 61.1911 34.0581 174.1638 51 I 4.8149 8.5300 129.3179 60.0220 38.5927 174.4821 52 F 5.2728 9.0325 129.7923 56.1867 42.1276 174.3468 53 K 4.2778 8.6000 127.3384 55.2439 35.4913 175.5567 54 D 4.3855 8.6043 128.6232 55.1384 38.8581 174.2371 55 G 3.6799 5.8050 108.8862 44.7941 0.0000 173.9849 56 Y 4.2245 8.9799 117.7856 57.7070 39.6623 176.6348 57 Q 4.1952 8.9634 124.6120 59.4688 29.2269 178.9286 58 S 4.2057 8.3292 114.8807 61.7618 62.8822 176.6416 59 T 4.1950 8.1286 118.8732 66.1527 68.4488 176.2541 60 W 3.8497 8.4458 130.3302 60.5900 30.6766 177.7473 61 D 4.3547 8.5750 118.8471 57.2643 40.3002 178.6202 62 K 3.7814 8.2294 119.8844 59.4631 32.0670 178.5483 63 A 4.2187 8.4952 121.3483 55.3031 18.0402 179.7130 64 Q 3.6661 7.5555 115.3393 59.1199 28.9341 178.9987 65 K 4.0847 8.2072 117.9955 58.6307 32.1476 178.7840 66 R 4.3337 8.0107 116.7054 55.5397 30.4572 177.0181 67 G 3.7698 7.5331 106.2659 46.1998 0.0000 174.1925 68 V 4.0049 7.4817 112.0702 60.0182 33.3221 175.9874 69 K 3.9381 8.5201 122.0732 56.2393 32.7074 176.2004 70 L 4.9526 8.3875 127.5839 53.4927 43.9782 175.1974 71 V 4.8376 8.6553 119.9925 59.2564 36.0568 175.8723 72 S 4.8258 8.9106 117.9264 57.7869 64.6051 175.7258 73 V 3.5565 8.4408 112.9871 64.3032 30.9755 178.7398 74 L 4.1277 7.7960 117.7731 57.1329 41.3148 179.2603 75 W 2.8695 8.0802 128.5840 59.9635 30.7163 178.0579 76 V 3.1279 7.8231 117.6268 65.8399 30.9655 177.2818 77 E 3.8374 7.9016 118.4206 59.2644 29.4135 178.7101 78 K 3.8464 7.9573 119.7255 59.5939 32.2079 178.4751 79 C 4.1672 7.5077 118.4027 62.0558 27.6973 176.1286 80 R 3.7376 7.3475 119.1428 59.6690 29.8068 178.4497 81 T 3.9982 7.9897 108.3703 64.3023 68.9967 175.9421 82 A 4.2619 8.2078 122.3128 51.6133 19.0773 177.2017 83 G 3.8556 7.8610 104.8798 45.9197 0.0000 173.3501 84 A 4.5122 7.3374 119.1204 50.3450 22.3081 176.1705 85 H 4.6488 8.6105 120.1481 55.3283 29.1943 175.2233 86 I 4.1335 7.9888 127.8986 60.3432 38.1004 175.7406 87 D 4.5174 8.9186 123.0761 54.8040 41.4281 177.2112 88 E 3.9819 9.0432 127.0613 59.1009 29.2183 178.9977 89 S 4.3017 8.4736 113.3408 60.3556 63.3061 175.5201 90 L 4.2171 7.8290 121.1720 55.2651 42.7570 176.3435 91 F 4.9185 8.1853 118.1803 55.5295 39.7459 173.0899 92 P 4.7363 0.0000 0.0000 63.0738 31.9493 177.5549 93 A 4.5893 8.3567 123.7854 52.0943 19.3142 176.4401 94 A 4.9371 8.7333 120.3282 50.7399 22.2448 175.6653 95 N 4.4224 7.6651 115.8789 52.7281 41.8684 174.5418 *97 N 4.6616 8.6139 114.3696 52.4406 40.3072 176.1645 98 E 3.8240 7.9512 117.3057 58.8337 29.5729 177.4294 99 H 5.1013 7.8076 115.7384 55.4242 29.6346 174.1825 100 L 4.3682 7.7004 124.4044 55.0331 42.3185 176.7536 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 A 8.26 4.26 1.26 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 0.00 0.00 0.00 3 A 7.95 4.40 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.64 0.00 2.23 2.23 0.00 3.69 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 2.06 1.94 0.00 5 I 7.54 3.80 1.85 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 1.35 0.50 0.95 0.00 0.00 6 L 7.65 4.69 0.00 1.65 1.64 0.61 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.74 4.32 0.00 1.91 2.13 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.42 7.81 8 D 7.99 4.62 0.00 2.77 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 9 V 7.90 3.99 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 0.86 0.00 0.00 0.93 0.00 0.00 10 V 8.93 4.81 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 0.88 0.00 0.00 0.98 0.00 0.00 11 A 9.20 5.23 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 12 Y 8.82 4.97 0.00 2.90 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.67 4.69 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 0.93 0.00 0.00 0.94 0.00 0.00 14 E 9.36 4.59 0.00 2.00 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 2.43 2.18 0.00 15 V 8.90 4.65 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 0.93 0.00 0.00 0.67 0.00 0.00 16 W 8.98 5.23 0.00 3.20 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 17 S 8.74 4.44 0.00 4.00 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 18 S 9.14 4.30 0.00 3.90 3.97 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 19 N 8.21 4.52 0.00 2.81 2.93 0.00 0.00 6.04 7.02 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 20 G 8.11 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 21 T 8.08 4.44 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 1.29 0.00 0.00 22 E 8.22 4.20 0.00 1.21 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 2.17 2.37 0.00 23 N 7.71 3.32 0.00 1.44 1.93 0.00 0.00 6.94 7.24 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 24 Y 8.03 4.72 0.00 3.22 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.22 4.20 0.00 3.77 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 26 K 7.93 3.86 0.00 1.77 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 27 T 7.64 3.73 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 28 F 7.98 4.03 0.00 3.16 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 29 T 8.22 3.90 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 1.22 0.00 0.00 30 T 8.00 3.82 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 1.19 0.00 0.00 31 Q 7.69 3.91 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 32 L 8.04 4.08 0.00 1.89 1.75 1.07 0.80 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 33 V 7.68 3.95 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 0.96 0.00 0.00 0.99 0.00 0.00 34 D 8.04 4.63 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.81 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 0.00 0.00 0.00 37 A 7.68 4.54 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 38 K 8.71 4.42 0.00 1.90 1.71 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 39 V 8.29 4.88 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 0.87 0.00 0.00 0.96 0.00 0.00 40 S 9.04 4.62 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.02 4.30 0.00 1.87 1.96 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.49 7.81 42 T 7.51 4.83 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 1.27 0.00 0.00 43 F 8.09 4.30 0.00 1.51 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.85 4.88 0.00 2.99 2.98 0.00 0.00 6.19 6.46 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 45 K 8.41 4.14 0.00 1.77 1.91 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.35 7.81 46 Q 8.21 4.12 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 47 V 7.73 3.94 2.42 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 0.78 0.00 0.00 1.09 0.00 0.00 48 T 9.20 4.55 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 1.32 0.00 0.00 49 H 8.05 5.18 0.00 3.05 3.05 0.00 5.76 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 50 V 8.90 4.72 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 1.22 0.00 0.00 0.45 0.00 0.00 51 I 8.53 4.81 1.91 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 1.31 0.68 0.88 0.00 0.00 52 F 9.03 5.27 0.00 3.15 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 53 K 8.60 4.28 0.00 1.76 1.52 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.42 7.81 54 D 8.60 4.39 0.00 2.99 2.59 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 55 G 5.80 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 56 Y 8.98 4.22 0.00 3.15 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 0.00 57 Q 8.96 4.20 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.42 0.00 0.00 0.00 0.00 0.00 2.47 2.73 0.00 58 S 8.33 4.21 0.00 4.11 4.16 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 59 T 8.13 4.20 5.06 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 1.82 0.00 0.00 60 W 8.45 3.85 0.00 3.04 3.22 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 61 D 8.57 4.35 0.00 2.79 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 62 K 8.23 3.78 0.00 1.78 1.93 0.00 1.24 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.46 1.05 7.81 63 A 8.50 4.22 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 64 Q 7.56 3.67 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.46 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 65 K 8.21 4.08 0.00 1.62 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.56 7.81 66 R 8.01 4.33 0.00 1.87 1.96 0.00 2.95 0.00 0.00 2.79 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 67 G 7.53 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 68 V 7.48 4.00 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 0.83 0.00 0.00 1.00 0.00 0.00 69 K 8.52 3.94 0.00 1.14 1.36 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.14 7.81 70 L 8.39 4.95 0.00 1.47 1.25 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.66 4.84 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 0.30 0.00 0.00 0.70 0.00 0.00 72 S 8.91 4.83 0.00 4.05 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 73 V 8.44 3.56 1.61 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 0.22 0.00 0.00 0.85 0.00 0.00 74 L 7.80 4.13 0.00 2.10 2.03 1.07 0.81 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 75 W 8.08 2.87 0.00 3.27 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 76 V 7.82 3.13 2.36 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 1.05 0.00 0.00 1.13 0.00 0.00 77 E 7.90 3.84 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 78 K 7.96 3.85 0.00 1.83 1.24 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.51 7.81 79 C 7.51 4.17 0.00 2.55 2.54 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 80 R 7.35 3.74 0.00 1.71 2.03 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 81 T 7.99 4.00 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 1.24 0.00 0.00 82 A 8.21 4.26 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 83 G 7.86 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 84 A 7.34 4.51 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.61 4.65 0.00 3.30 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.99 4.13 1.86 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 1.36 0.76 1.30 0.00 0.00 87 D 8.92 4.52 0.00 2.79 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 88 E 9.04 3.98 0.00 1.96 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 1.83 1.62 0.00 89 S 8.47 4.30 0.00 4.01 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 90 L 7.83 4.22 0.00 1.80 1.44 1.00 0.74 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 91 F 8.19 4.92 0.00 3.21 3.15 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 0.00 0.00 0.00 92 P 0.00 4.74 0.00 2.13 2.08 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 93 A 8.36 4.59 1.59 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 94 A 8.73 4.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.67 4.42 0.00 1.44 1.42 0.00 0.00 6.70 5.12 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 *97 N 8.61 4.66 0.00 2.90 2.78 0.00 0.00 6.54 7.60 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 98 E 7.95 3.82 0.00 2.01 1.53 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 2.16 1.72 0.00 99 H 7.81 5.10 0.00 3.13 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.70 4.37 0.00 1.66 1.48 0.89 0.80 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 * Residues marked with a * may have inaccurate shift predictions.