NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5605 8.4293 117.3755 54.3566 29.3945 172.1661 *2 D 4.4849 8.1032 120.4349 52.6739 40.6487 176.2599 3 A 4.0333 8.4286 120.4696 55.2000 18.1095 179.3685 4 L 4.0831 8.2117 120.8703 59.2505 42.1163 179.6881 5 E 4.0686 8.5434 118.0680 60.9649 29.5887 181.2099 6 I 4.0922 7.6136 119.2822 64.0576 37.2071 177.9540 7 F 4.2676 8.3677 121.5861 61.6173 39.2475 177.2060 8 K 3.9668 8.5448 118.2232 59.9889 31.8358 179.5355 9 T 3.9821 7.9516 115.3329 66.5531 68.3528 176.8131 10 L 4.0648 8.4589 121.4053 57.9754 41.4618 179.5056 11 F 4.1197 8.4973 119.4434 61.2759 39.4234 176.9924 12 S 4.2491 8.1318 114.0005 61.5354 62.8370 176.0653 13 L 3.8056 8.0007 122.8620 57.9020 41.7660 179.7624 14 V 3.7580 7.8311 118.8410 63.7696 32.8424 177.9503 *16 R 4.7392 7.9582 116.8297 55.8762 32.2877 178.0306 17 F 4.6802 8.0801 116.7897 60.6283 39.0977 177.5248 18 S 4.2060 8.4514 115.2674 61.0232 62.4302 175.2082 19 S 4.2140 7.8773 113.7117 59.7584 63.1266 174.7219 20 Y 4.6211 7.5826 116.6296 57.4532 38.5431 174.9718 21 L 4.6339 7.6292 121.8790 52.2510 43.8335 174.2934 22 P 4.4558 0.0000 0.0000 62.7586 31.6474 175.0983 23 S 4.6409 8.4743 115.1406 58.2123 63.5799 174.4573 24 N 5.1242 8.5330 128.4596 52.9547 41.2069 174.8551 25 E 4.5358 9.0485 126.5415 59.0698 30.3840 174.9926 26 E 4.7324 8.0203 118.5279 60.8798 31.2136 183.9577 27 I 3.8997 7.8057 119.3627 65.4127 35.4880 180.6644 28 S 4.5257 7.6737 114.6362 60.2224 64.1528 174.3711 29 D 4.4806 7.3554 123.5683 53.3776 40.2623 175.6942 *31 K 4.1982 7.5047 119.8314 56.2656 35.1630 176.8317 32 T 3.9849 8.2248 111.6858 65.3556 68.8309 176.8750 33 T 4.1838 7.9332 112.0488 64.1869 68.8445 176.5005 34 E 4.0548 8.2308 121.4441 59.2298 29.6125 178.6253 35 L 4.0870 8.1031 120.4179 58.4760 42.0541 178.4177 36 Y 4.4517 8.4158 119.2664 60.7663 38.8226 177.8629 37 A 4.1502 8.4709 121.8529 54.8702 18.5734 179.0848 38 F 4.0742 8.6528 119.5633 61.8361 39.4561 177.5529 39 L 3.7864 8.4029 118.3051 57.5351 41.3153 178.8732 40 Y 4.1734 7.5402 119.8501 60.6969 38.5668 178.3986 41 V 3.2022 7.3622 118.6862 65.7416 31.3906 177.7512 42 A 3.3288 7.1715 119.4286 54.5087 17.9361 179.1967 43 L 3.8250 7.2414 116.1884 56.7513 42.1306 178.0643 44 F 4.2903 7.8471 114.4125 56.6475 39.0055 176.7763 45 G 3.7127 7.2658 109.6121 43.5203 0.0000 171.5113 46 P 4.3870 0.0000 0.0000 63.2282 31.8522 176.4093 47 K 4.6593 8.5392 120.5690 53.6752 36.9216 176.5887 48 K 4.5374 8.8517 129.9685 56.3639 33.5367 179.6298 *50 K 4.2219 8.8600 126.8490 57.5233 33.8229 177.4775 51 E 4.1204 7.9243 117.7981 59.2157 29.4138 179.2247 52 I 3.9436 7.9666 119.8456 64.3910 36.9863 178.2142 53 A 4.0796 8.0724 121.1494 55.1741 18.3267 179.4345 54 E 3.9423 8.3020 116.9673 59.6795 29.4417 179.1679 55 F 4.0291 8.1114 119.2709 61.0302 39.2658 175.9318 56 L 3.7496 8.0402 117.7637 56.6201 42.4105 177.2060 57 S 3.7046 6.9257 111.8631 60.0167 60.5500 172.3491 58 T 4.6868 7.1439 113.8385 58.8196 72.5163 175.6245 59 T 4.3689 8.1664 115.5086 63.1609 68.7047 176.1594 60 K 4.1508 8.6713 131.3520 60.3852 31.6640 180.0697 61 S 4.3360 8.0198 119.1310 63.5125 62.3897 178.3467 62 N 4.5610 8.1582 120.2489 56.3444 38.6023 177.0240 63 V 3.6966 7.8873 120.2141 66.0079 31.5124 178.1253 64 T 3.8914 7.9019 109.3242 64.8578 68.6417 176.2373 65 N 4.3073 8.1437 119.3615 56.0967 38.5686 177.5859 66 V 3.6507 7.8552 119.5481 65.8597 31.6027 178.3853 67 V 3.5902 8.0792 118.1425 66.0945 31.4311 177.4290 68 D 4.4074 8.3201 119.0432 57.8284 40.8448 179.1624 69 S 4.1735 8.2173 113.1899 61.3615 62.3765 176.1605 70 L 4.1167 8.0250 121.6897 57.3478 41.3157 179.4113 71 E 4.3822 8.4349 120.6855 58.8009 29.2777 178.9858 72 K 3.8840 8.1563 117.6169 59.8821 32.3273 179.0737 73 R 4.1649 7.6681 114.8211 57.1175 30.1084 177.7105 74 G 3.9925 8.0675 107.2709 45.1176 0.0000 173.9763 75 L 4.5809 8.0263 120.2520 55.9777 43.3398 176.9290 76 V 5.1093 7.6944 110.2680 59.6201 36.6205 174.6518 77 V 4.7921 8.8562 121.7238 60.0067 34.9180 174.6937 78 R 4.6752 8.7701 121.6797 56.1863 31.0929 176.3368 79 E 4.4511 8.8333 124.9698 55.0844 33.3251 174.0590 *81 D 4.4700 8.4924 119.3923 54.1790 41.6878 175.2281 82 P 4.4461 0.0000 0.0000 64.6335 31.8699 177.7069 83 V 3.7582 8.7350 119.8679 65.0354 31.4874 176.0339 84 D 4.8034 7.6614 114.6614 51.9437 40.1495 175.4440 85 R 3.8324 7.9774 116.9243 57.5507 28.1235 175.9631 86 R 4.6337 7.7805 115.9170 54.1672 32.6746 176.0681 87 T 4.1748 8.2169 116.0460 64.2706 68.9661 173.9925 88 Y 4.5678 9.3253 128.8749 59.8573 39.3144 175.5077 89 R 4.6483 7.4904 116.0446 54.4190 35.4208 173.6764 90 V 4.5527 8.8842 121.7948 62.1546 33.1059 175.3705 91 V 4.7717 8.4812 119.7736 59.1388 36.1758 174.9275 92 L 4.6383 8.3036 122.6179 55.0896 42.5244 177.3736 93 T 4.2878 8.5300 115.6898 61.6037 70.8880 176.2307 94 E 3.9713 8.9526 119.9327 61.3733 29.6636 176.3114 95 K 4.1988 8.2652 120.5523 59.3407 32.1295 178.7323 96 G 3.8810 8.1799 105.7901 47.9859 0.0000 175.8761 97 K 4.1972 8.1273 122.4525 59.6040 32.3301 179.7301 98 E 4.1707 8.4024 118.5867 61.2626 29.7286 180.9045 99 I 3.9503 7.9308 120.9884 64.5409 37.3882 178.3544 100 F 4.5751 8.7957 120.7696 60.7624 39.1033 177.4213 101 G 3.4942 8.2819 105.8910 47.5944 0.0000 175.3127 102 E 3.9430 8.2670 120.8027 59.6089 29.5638 179.6398 103 I 3.7458 7.7182 119.3175 64.1781 37.1317 178.3404 104 L 3.7278 7.4252 121.1112 58.0277 41.9003 179.0523 105 S 4.0736 8.4771 113.4975 61.5092 62.5157 175.8223 106 N 4.3656 8.6525 119.6314 56.2801 38.3249 177.0329 107 F 4.3487 8.4501 124.2150 61.2299 39.4602 178.0195 108 E 3.8894 8.2895 118.6839 61.0406 29.1845 183.2232 109 S 4.4181 8.0160 114.9013 60.1629 63.1447 176.4238 110 L 4.0077 7.4862 124.2996 58.1512 41.8097 178.5615 111 L 3.6579 7.2833 121.1684 58.3152 41.5189 180.2047 112 K 3.7891 7.7594 123.3960 59.9798 31.3044 181.1155 113 S 4.0528 7.2287 113.9738 61.2313 63.0224 176.4663 114 V 3.2473 7.3990 120.9982 65.9431 31.0830 178.1212 115 L 3.7375 7.8185 118.8132 57.7079 41.2554 179.1813 116 E 3.9669 7.7998 117.3148 58.8486 29.4410 178.6543 117 K 4.3463 7.5772 116.1367 55.5187 32.7336 176.2005 118 F 5.3474 7.7221 119.7733 55.5527 40.8002 176.5052 119 S 4.5172 9.2925 121.5558 57.7841 65.2171 174.9937 120 E 3.9704 8.6054 121.4894 59.0581 29.3053 178.2181 121 E 3.9208 8.1044 119.1357 59.2873 29.8979 178.0265 122 D 4.1900 8.1968 119.1286 57.5200 40.8661 178.7582 123 F 3.9350 8.4280 121.0287 61.1501 39.3120 177.2787 124 K 3.9145 8.2803 118.0341 59.4603 31.7710 179.5014 125 V 3.4987 7.5663 118.3758 65.9750 31.4335 178.3058 126 V 3.4778 7.5910 117.9514 65.7685 31.2584 177.7208 127 S 3.8976 7.7197 112.9888 61.6420 62.1414 176.1283 128 E 4.0499 8.3393 121.2363 59.3714 28.9209 179.6424 129 G 3.6438 7.6968 105.1653 47.3340 0.0000 175.5201 130 F 4.3245 8.0664 122.2447 61.3409 39.7393 176.6434 131 N 4.4264 8.5607 116.4849 56.1933 38.1911 177.7110 132 R 4.0802 7.7302 117.2041 56.8523 29.6404 178.2479 *134 V 3.7448 7.7116 117.9972 62.3831 33.5066 176.5727 135 E 3.6967 8.3359 120.4891 59.4149 29.5981 178.8912 136 A 3.9962 8.4083 121.5883 55.1950 18.4897 179.2907 137 L 4.1838 7.2378 113.3514 56.5174 41.8489 178.0845 138 S 4.4354 7.5618 113.5090 59.5079 63.3028 175.7217 139 R 3.9579 7.7366 119.7944 59.5754 30.0732 176.2866 140 E 4.0490 7.7445 121.4246 56.0200 29.6484 176.7374 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 H 8.43 4.56 0.00 2.95 2.92 0.00 7.20 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 8.10 4.48 0.00 2.94 2.90 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 0.00 0.00 0.00 0.00 3 A 8.43 4.03 1.37 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 0.00 0.00 4 L 8.21 4.08 0.00 1.80 1.92 0.83 1.01 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 5 E 8.54 4.07 0.00 2.03 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 2.24 2.22 0.00 6 I 7.61 4.09 2.03 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 1.45 0.70 0.94 0.00 0.00 7 F 8.37 4.27 0.00 3.28 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 8 K 8.54 3.97 0.00 2.02 1.90 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.62 7.81 9 T 7.95 3.98 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 1.25 0.00 0.00 10 L 8.46 4.06 0.00 2.03 1.85 0.95 0.93 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 11 F 8.50 4.12 0.00 3.29 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 12 S 8.13 4.25 0.00 4.07 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 13 L 8.00 3.81 0.00 1.86 1.77 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.83 3.76 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 0.98 0.00 0.00 1.10 0.00 0.00 *16 R 7.96 4.74 0.00 1.86 1.92 0.00 3.45 0.00 0.00 3.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 17 F 8.08 4.68 0.00 3.25 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 18 S 8.45 4.21 0.00 3.80 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 19 S 7.88 4.21 0.00 3.65 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 20 Y 7.58 4.62 0.00 3.08 2.94 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 21 L 7.63 4.63 0.00 1.77 1.69 1.04 1.06 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 22 P 0.00 4.46 0.00 2.27 2.05 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 23 S 8.47 4.64 0.00 3.83 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 24 N 8.53 5.12 0.00 2.71 2.62 0.00 0.00 6.98 7.66 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 25 E 9.05 4.54 0.00 2.06 1.88 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 2.22 1.93 0.00 26 E 8.02 4.73 0.00 1.94 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 2.22 1.90 0.00 27 I 7.81 3.90 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 1.69 1.10 0.91 0.00 0.00 28 S 7.67 4.53 0.00 3.99 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 29 D 7.36 4.48 0.00 2.61 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 K 7.50 4.20 0.00 1.90 1.79 0.00 1.91 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.52 7.81 32 T 8.22 3.98 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 1.24 0.00 0.00 33 T 7.93 4.18 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 1.24 0.00 0.00 34 E 8.23 4.05 0.00 2.26 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 0.00 2.46 2.42 0.00 35 L 8.10 4.09 0.00 1.86 1.96 1.08 0.75 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 36 Y 8.42 4.45 0.00 3.28 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 37 A 8.47 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.65 4.07 0.00 3.23 3.41 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 39 L 8.40 3.79 0.00 1.90 1.81 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.54 4.17 0.00 2.08 2.55 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 41 V 7.36 3.20 1.78 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 0.75 0.00 0.00 0.74 0.00 0.00 42 A 7.17 3.33 -0.22 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 43 L 7.24 3.83 0.00 1.43 0.85 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.85 4.29 0.00 2.67 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 45 G 7.27 3.71 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 0.00 0.00 0.00 46 P 0.00 4.39 0.00 1.79 1.88 0.00 3.50 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 1.94 2.04 0.00 47 K 8.54 4.66 0.00 1.39 1.44 0.00 1.25 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.15 0.72 7.81 48 K 8.85 4.54 0.00 1.68 1.21 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 *50 K 8.86 4.22 0.00 1.91 1.84 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 51 E 7.92 4.12 0.00 2.19 2.05 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 2.41 2.40 0.00 52 I 7.97 3.94 1.93 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 1.50 0.90 1.03 0.00 0.00 53 A 8.07 4.08 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 54 E 8.30 3.94 0.00 2.32 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 2.33 2.18 0.00 55 F 8.11 4.03 0.00 2.45 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 56 L 8.04 3.75 0.00 2.03 1.65 1.20 1.12 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 57 S 6.93 3.70 0.00 3.98 4.13 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 58 T 7.14 4.69 4.24 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 1.21 0.00 0.00 59 T 8.17 4.37 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 1.24 0.00 0.00 60 K 8.67 4.15 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.07 7.81 61 S 8.02 4.34 0.00 3.73 3.90 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 0.00 0.00 0.00 0.00 62 N 8.16 4.56 0.00 2.84 2.86 0.00 0.00 6.68 7.71 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 63 V 7.89 3.70 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 1.12 0.00 0.00 1.07 0.00 0.00 64 T 7.90 3.89 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 1.30 0.00 0.00 65 N 8.14 4.31 0.00 2.99 2.94 0.00 0.00 6.67 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 66 V 7.86 3.65 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 1.14 0.00 0.00 1.11 0.00 0.00 67 V 8.08 3.59 2.17 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 1.05 0.00 0.00 0.98 0.00 0.00 68 D 8.32 4.41 0.00 2.90 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 69 S 8.22 4.17 0.00 3.92 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 70 L 8.03 4.12 0.00 1.96 1.79 1.14 1.00 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 71 E 8.43 4.38 0.00 2.24 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 2.63 2.22 0.00 72 K 8.16 3.88 0.00 2.19 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.38 7.81 73 R 7.67 4.16 0.00 1.79 1.94 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 74 G 8.07 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 75 L 8.03 4.58 0.00 1.83 1.90 0.33 0.83 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 76 V 7.69 5.11 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 1.17 0.00 0.00 0.98 0.00 0.00 77 V 8.86 4.79 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 0.80 0.00 0.00 0.94 0.00 0.00 78 R 8.77 4.68 0.00 1.73 1.92 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 79 E 8.83 4.45 0.00 1.96 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 2.33 2.27 0.00 *81 D 8.49 4.47 0.00 2.78 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 82 P 0.00 4.45 0.00 2.19 2.14 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 83 V 8.74 3.76 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 0.78 0.00 0.00 0.89 0.00 0.00 84 D 7.66 4.80 0.00 2.76 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 85 R 7.98 3.83 0.00 2.01 2.05 0.00 3.13 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 86 R 7.78 4.63 0.00 1.93 1.87 0.00 3.18 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 87 T 8.22 4.17 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 1.24 0.00 0.00 88 Y 9.33 4.57 0.00 2.93 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 89 R 7.49 4.65 0.00 1.46 1.46 0.00 2.86 0.00 0.00 2.75 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 90 V 8.88 4.55 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 0.95 0.00 0.00 0.90 0.00 0.00 91 V 8.48 4.77 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 0.65 0.00 0.00 0.98 0.00 0.00 92 L 8.30 4.64 0.00 1.38 1.54 0.58 0.44 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 93 T 8.53 4.29 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 1.24 0.00 0.00 94 E 8.95 3.97 0.00 1.99 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 2.32 1.94 0.00 95 K 8.27 4.20 0.00 1.84 2.06 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.55 7.81 96 G 8.18 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 97 K 8.13 4.20 0.00 1.96 1.94 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.43 7.81 98 E 8.40 4.17 0.00 1.98 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 2.24 2.23 0.00 99 I 7.93 3.95 2.24 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 1.59 0.85 0.94 0.00 0.00 100 F 8.80 4.58 0.00 3.23 3.28 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 0.00 101 G 8.28 3.49 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 0.00 102 E 8.27 3.94 0.00 2.34 2.05 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 2.41 2.00 0.00 103 I 7.72 3.75 1.84 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.85 0.00 0.00 104 L 7.43 3.73 0.00 1.51 1.55 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.48 4.07 0.00 3.98 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 0.00 106 N 8.65 4.37 0.00 2.77 2.90 0.00 0.00 6.71 8.14 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 0.00 107 F 8.45 4.35 0.00 3.15 3.19 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 0.00 108 E 8.29 3.89 0.00 2.03 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 2.24 2.19 0.00 109 S 8.02 4.42 0.00 4.05 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 0.00 110 L 7.49 4.01 0.00 1.78 1.57 1.09 0.06 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 0.00 111 L 7.28 3.66 0.00 1.65 1.46 0.75 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.76 3.79 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.37 7.81 113 S 7.23 4.05 0.00 3.64 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 0.00 114 V 7.40 3.25 1.81 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 0.38 0.00 0.00 0.77 0.00 0.00 115 L 7.82 3.74 0.00 1.75 1.58 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.80 3.97 0.00 1.98 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 2.29 2.39 0.00 117 K 7.58 4.35 0.00 1.69 1.85 0.00 1.45 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.46 7.81 118 F 7.72 5.35 0.00 3.09 2.93 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 0.00 119 S 9.29 4.52 0.00 4.05 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 0.00 120 E 8.61 3.97 0.00 2.16 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 2.37 1.93 0.00 121 E 8.10 3.92 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 2.36 2.40 0.00 122 D 8.20 4.19 0.00 2.73 2.17 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 0.00 123 F 8.43 3.94 0.00 3.31 3.26 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 0.00 124 K 8.28 3.91 0.00 2.11 1.85 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.32 7.81 125 V 7.57 3.50 2.08 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 0.94 0.00 0.00 0.92 0.00 0.00 126 V 7.59 3.48 1.73 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 0.89 0.00 0.00 0.60 0.00 0.00 127 S 7.72 3.90 0.00 3.17 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 0.00 128 E 8.34 4.05 0.00 2.23 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 2.32 2.38 0.00 129 G 7.70 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 0.00 130 F 8.07 4.32 0.00 3.10 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 0.00 131 N 8.56 4.43 0.00 2.77 2.86 0.00 0.00 6.72 8.18 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 0.00 132 R 7.73 4.08 0.00 2.00 2.06 0.00 3.15 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 *134 V 7.71 3.74 1.77 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 0.81 0.00 0.00 0.29 0.00 0.00 135 E 8.34 3.70 0.00 2.00 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 0.00 2.29 2.27 0.00 136 A 8.41 4.00 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 0.00 137 L 7.24 4.18 0.00 1.49 1.70 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.56 4.44 0.00 4.01 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 0.00 139 R 7.74 3.96 0.00 1.85 1.98 0.00 3.32 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 140 E 7.74 4.05 0.00 1.92 1.81 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 2.29 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.