NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6063 8.4244 118.1181 52.1017 38.7225 173.6099 3 I 3.5334 8.4515 118.1845 63.8635 38.1816 176.2574 4 F 4.2082 9.1496 120.0372 60.8151 39.9472 177.9493 5 E 3.9062 8.5481 117.5445 56.9310 28.5004 178.8848 *7 L 4.1793 7.9337 121.0290 54.6792 43.9304 179.3255 8 R 3.7055 7.9556 118.7855 59.0953 29.6679 178.5763 9 I 3.6935 7.7334 118.8578 64.7011 37.3211 178.0309 10 D 4.5542 8.2277 117.5772 56.7230 40.7923 177.0612 11 E 4.2909 8.5138 117.7050 55.4074 30.8295 177.2019 12 G 3.8243 8.0799 108.5054 44.3589 0.0000 171.7556 13 L 4.9580 8.1034 119.1763 53.3010 44.4647 175.5652 14 R 4.6465 8.7558 124.8522 54.4673 33.5518 176.0500 15 L 4.7430 8.6523 121.3858 54.4723 43.1624 175.5987 16 K 5.1782 7.7716 119.6791 54.0600 35.4560 175.7271 17 I 4.3137 8.4621 127.3810 62.3884 37.5825 174.9162 18 Y 5.1207 9.2392 124.2075 55.3009 42.2048 173.9693 19 K 4.6991 8.6769 119.4157 55.1472 33.6456 177.2364 20 D 4.7539 8.5950 125.2226 52.5322 41.3435 176.4747 21 T 3.4335 8.5531 112.5290 64.9124 67.1423 174.6384 22 E 4.1724 8.3375 117.9355 55.7469 29.9317 176.5732 23 G 3.6908 8.6641 108.1525 45.2513 0.0000 173.0610 24 Y 4.7077 8.0942 117.9201 56.3181 40.3306 174.8549 25 Y 4.7261 7.7574 121.5412 58.9136 39.0579 175.5607 26 T 5.0761 8.8808 119.6965 62.6162 73.9315 172.2077 27 I 4.8729 8.9929 122.0997 59.7801 42.3332 176.4915 28 G 3.8198 9.1570 114.5769 47.2781 0.0000 176.7294 29 I 5.0077 7.8322 118.8623 59.3485 35.4188 174.8998 30 G 4.0237 8.2677 111.9639 46.6887 0.0000 171.3235 31 H 4.4352 8.4098 121.5417 53.7835 28.9744 173.7321 32 L 4.2555 8.0244 129.1628 55.1420 42.4682 176.5746 33 L 4.2198 9.0283 127.3279 56.8557 41.8827 176.7489 34 T 4.2889 7.3136 109.8653 61.6385 69.7950 173.3223 35 K 3.6762 8.2397 122.8349 56.0056 32.6652 177.3041 36 S 4.2783 8.2284 115.4730 57.7953 62.7044 171.9004 37 P 4.6293 0.0000 0.0000 63.0981 31.7014 175.9403 38 S 4.6520 7.9285 115.0905 57.0337 63.3021 174.0105 39 L 2.9233 8.5148 131.3992 58.2237 41.7979 178.5462 40 N 4.2604 8.0484 115.4032 55.5986 38.4165 177.1868 41 A 3.9064 7.6779 122.5662 55.2004 18.4619 179.4195 42 A 3.8559 7.8243 119.2503 55.3491 18.2206 180.0480 43 K 3.8986 8.0700 117.1234 59.2634 32.0857 179.6147 44 S 4.0425 8.2281 114.0029 61.3466 62.2676 175.9907 45 E 3.9497 8.3833 121.5581 59.4089 29.1493 179.0965 46 L 3.9454 8.2210 120.6112 58.3752 42.2151 178.7928 47 D 4.7787 8.3872 120.4391 56.6934 40.4681 178.6927 48 K 4.0564 8.0051 119.3651 59.1636 32.2352 178.5493 49 A 4.1174 7.9645 120.5116 55.2442 18.4792 179.1797 50 I 4.0856 7.9500 116.6312 61.5596 37.5236 177.1917 51 G 3.9133 10.4743 108.1012 45.0674 0.0000 172.7160 52 R 4.4516 7.3880 113.9872 54.7730 31.9222 173.5473 53 N 5.1668 8.8582 116.0442 52.4931 38.0332 175.2247 54 T 4.3440 9.8542 114.7441 60.4180 70.4686 174.4613 55 N 3.7768 9.1995 119.0226 54.6089 37.5202 174.5265 56 G 3.9648 8.5206 101.9972 44.9024 0.0000 173.4036 57 V 5.1303 7.4804 117.5724 60.8743 34.3337 174.5072 58 I 4.9521 8.9040 120.5931 59.2867 41.1173 174.5408 59 T 4.4058 8.8247 112.6550 60.3889 70.5793 176.0775 60 K 3.9302 8.6527 122.7174 59.8300 32.2060 178.6630 61 D 4.4784 8.0677 118.7856 57.2255 40.7156 178.3891 62 E 3.9884 8.3737 119.0553 59.2703 29.4386 179.1165 63 A 4.0405 8.2582 121.0963 55.4404 18.4968 179.6412 64 E 4.1816 8.7728 117.3748 59.1603 29.5161 179.5811 65 K 4.0310 8.1638 120.0630 59.5328 32.2279 178.9216 66 L 4.0768 8.2470 119.4587 57.6674 41.4601 179.3004 67 F 4.6463 8.6506 120.7887 61.6447 39.3966 176.9611 68 N 4.4685 8.5868 116.1349 56.4834 38.2159 177.4342 69 Q 4.0679 8.1128 119.0483 59.1073 28.7958 178.5653 70 D 4.3201 8.5187 120.2931 57.1487 40.8022 179.0135 71 V 3.7280 7.9970 119.0814 65.9006 31.3700 177.9017 72 D 4.2836 8.2688 118.4868 57.2299 40.6277 178.3350 73 A 3.9357 8.2751 121.3660 55.2788 18.4462 179.4588 74 A 3.8859 7.9712 119.0196 55.4702 18.4128 180.1159 75 V 3.4013 7.7824 116.6842 65.9427 31.5577 178.3490 76 R 3.9356 8.3110 118.4418 59.2670 29.6468 179.2842 77 G 3.5653 7.9693 104.7424 47.5554 0.0000 175.6215 78 I 3.8116 7.5138 121.8440 64.3099 36.9772 178.6195 79 L 3.9240 7.7069 117.8841 57.0354 41.4509 178.8403 80 R 4.3283 7.3725 115.6504 55.4060 30.7212 175.7075 81 N 4.5935 7.5893 118.4991 52.1295 39.6887 174.7080 82 A 4.1266 8.7108 128.7543 55.2217 18.6279 177.7025 83 K 4.3142 8.3383 114.1911 56.9683 32.3680 178.0707 *85 K 4.4022 8.1283 121.1708 56.0510 33.8870 178.4003 86 P 4.8433 0.0000 0.0000 62.5928 30.4647 177.5803 *88 Y 4.5284 8.0077 121.1014 58.9444 40.3729 175.6714 89 D 4.6237 8.6959 118.8986 56.9944 41.0226 176.4745 90 S 4.4213 7.6566 113.4715 58.6216 63.6101 174.0234 *92 D 4.3296 7.9198 119.8427 54.1065 41.6958 174.6702 93 A 3.9386 8.1393 120.4469 55.0265 18.2514 180.0915 94 V 2.9982 7.5463 116.3798 66.0780 31.4409 178.3628 95 R 3.5475 7.8008 116.4466 59.1530 29.9127 178.9270 96 R 3.6622 7.8881 117.1991 58.9594 29.9834 178.5735 97 A 4.1635 7.4767 119.5425 54.3387 19.7611 178.3061 98 A 4.0646 7.1270 119.7426 51.9770 16.5394 177.3229 *101 N 4.3023 7.7056 124.8084 52.7356 40.2987 174.1454 *104 F 4.5238 7.8370 122.9509 58.3519 41.4768 175.3968 105 Q 4.2872 8.4914 117.9770 57.4101 28.7158 175.5251 *107 G 3.7191 7.6810 105.5207 45.7037 0.0000 173.3278 108 E 3.7675 8.8857 120.9761 59.6824 29.7289 178.4073 109 T 4.0712 8.1026 113.3153 67.0262 68.7815 178.5974 110 R 4.1565 7.3579 121.9569 55.7431 29.2126 178.5367 *112 A 4.3208 8.1110 121.5901 51.9930 20.5844 179.6255 113 G 3.6253 8.2238 103.9439 47.6968 0.0000 174.4007 114 F 4.3904 8.1027 117.6830 57.3017 39.3877 177.2058 115 T 3.8850 7.7082 117.1995 65.3033 67.2739 175.0000 116 N 4.4233 8.1725 117.4368 56.5807 38.6147 176.9921 117 S 4.0314 7.5944 109.2557 59.6110 62.3595 174.9537 *119 R 3.8655 7.7113 122.0678 56.2847 30.0487 175.0457 *122 Q 4.0862 8.1706 123.5198 55.4847 30.7065 176.4170 123 Q 4.2570 8.0574 115.1222 56.2087 28.7285 176.1850 124 K 2.8728 7.0730 114.0808 58.0058 31.0421 176.7351 125 R 4.2919 6.7485 117.9306 54.9045 29.2580 177.5160 126 W 4.3444 7.7489 122.4571 60.2815 29.6678 178.2582 127 D 4.4744 8.1986 118.1065 57.2758 40.3407 178.3968 128 E 3.9345 8.2428 118.4612 59.4776 29.2861 179.1425 129 A 3.9264 8.1082 119.5987 54.9138 18.4655 179.3107 130 A 4.1384 7.8113 118.3273 55.5066 18.6487 179.7305 131 V 3.6731 8.1585 115.6064 65.7840 32.0195 178.4307 132 N 4.4489 8.3651 117.5142 53.3248 38.6475 176.0927 *134 A 3.9247 8.0282 122.0499 51.1563 20.6321 178.5616 135 K 4.3185 7.3590 116.5020 53.8455 30.7254 176.3712 136 S 4.6471 7.5084 115.4381 56.1501 66.9538 176.2443 137 R 3.9765 8.5637 122.7483 59.3306 29.8077 178.3502 138 W 4.4397 8.5903 127.6985 60.9846 30.3542 177.1677 139 Y 3.5728 8.5261 119.2730 60.7123 38.0442 177.6549 140 N 4.4588 8.5094 116.3843 56.0911 38.6312 176.8877 141 Q 4.3668 8.3949 119.3065 56.9985 30.7280 176.3853 142 T 4.5035 7.6498 110.0198 57.9995 68.6250 172.2404 143 P 3.3105 0.0000 0.0000 65.9918 31.6395 178.3963 144 N 4.1459 7.7562 115.8485 55.5946 38.5055 177.2257 145 R 3.7574 7.7157 119.3646 59.4630 30.3108 178.2098 146 A 3.3203 7.6269 120.5990 54.8295 18.0435 179.6844 147 K 3.9859 8.0369 117.2598 59.6928 32.0495 179.7543 148 R 3.8405 7.7270 118.1643 59.1470 29.8938 179.3634 149 V 3.8718 7.9960 118.0519 66.0892 31.5655 178.1084 150 I 4.0015 8.6132 119.9044 64.9520 36.9407 178.4476 151 T 3.9282 8.4221 116.8801 66.9491 68.1864 176.6261 152 T 3.9702 8.2616 117.6287 66.8363 68.3429 176.3944 153 F 4.2412 8.2818 120.9913 61.3143 39.4550 176.8111 154 R 4.2770 8.4068 118.1515 59.1162 30.0402 177.7433 155 T 4.1268 8.1578 108.2217 61.1914 69.6114 176.0580 156 G 3.5932 8.1550 108.7806 45.4433 0.0000 172.5044 157 T 4.4097 7.4014 108.7679 59.6028 71.5241 173.7111 158 W 4.9760 8.2704 117.6672 56.6959 29.6747 178.2594 159 D 4.4141 8.2794 122.1397 57.6511 40.2728 178.6254 160 A 4.1798 8.1985 119.2282 54.0024 18.4215 177.1058 161 Y 4.6502 8.2339 112.6281 57.1418 38.6561 176.0581 162 K 4.2388 8.0378 125.0851 57.0357 32.8051 175.9314 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 N 8.42 4.61 0.00 2.90 2.90 0.00 0.00 5.98 6.93 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 3 I 8.45 3.53 1.82 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 1.20 0.29 0.54 0.00 0.00 4 F 9.15 4.21 0.00 3.34 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 5 E 8.55 3.91 0.00 1.97 1.82 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 2.30 2.38 0.00 *7 L 7.93 4.18 0.00 1.91 1.53 0.24 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.96 3.71 0.00 2.04 2.16 0.00 2.96 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 9 I 7.73 3.69 2.03 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 1.57 0.81 1.07 0.00 0.00 10 D 8.23 4.55 0.00 2.73 2.84 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 11 E 8.51 4.29 0.00 1.95 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 2.35 2.38 0.00 12 G 8.08 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 13 L 8.10 4.96 0.00 1.46 1.46 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.76 4.65 0.00 1.75 1.58 0.00 3.09 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 0.00 15 L 8.65 4.74 0.00 1.60 1.94 0.95 0.82 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 16 K 7.77 5.18 0.00 1.74 1.70 0.00 2.02 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.41 7.81 17 I 8.46 4.31 1.92 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 1.32 0.84 1.02 0.00 0.00 18 Y 9.24 5.12 0.00 3.12 3.05 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 0.00 0.00 0.00 19 K 8.68 4.70 0.00 1.60 1.59 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.50 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.79 1.37 7.81 20 D 8.60 4.75 0.00 2.85 2.78 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 21 T 8.55 3.43 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 1.18 0.00 0.00 22 E 8.34 4.17 0.00 1.16 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 2.10 2.17 0.00 23 G 8.66 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 24 Y 8.09 4.71 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.73 0.00 3.19 2.82 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 26 T 8.88 5.08 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 1.23 0.00 0.00 27 I 8.99 4.87 1.98 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 1.27 1.57 1.00 0.00 0.00 28 G 9.16 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 29 I 7.83 5.01 1.37 0.00 0.00 0.56 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 1.61 0.23 0.00 0.00 30 G 8.27 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 0.00 0.00 0.00 31 H 8.41 4.44 0.00 3.36 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.02 4.26 0.00 1.58 1.45 1.00 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 33 L 9.03 4.22 0.00 1.82 1.72 0.96 0.92 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 34 T 7.31 4.29 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 1.32 0.00 0.00 35 K 8.24 3.68 0.00 1.49 1.34 0.00 1.43 0.00 0.00 0.77 0.00 0.00 2.58 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.88 7.81 36 S 8.23 4.28 0.00 3.80 3.83 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 37 P 0.00 4.63 0.00 2.29 2.19 0.00 3.88 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 2.03 1.99 0.00 38 S 7.93 4.65 0.00 3.92 3.83 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 39 L 8.51 2.92 0.00 1.66 1.56 0.49 0.63 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 40 N 8.05 4.26 0.00 2.73 2.81 0.00 0.00 7.01 7.76 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 41 A 7.68 3.91 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 42 A 7.82 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.07 3.90 0.00 1.87 1.82 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.51 7.81 44 S 8.23 4.04 0.00 3.85 4.08 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 0.00 0.00 0.00 0.00 45 E 8.38 3.95 0.00 2.16 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 2.48 2.60 0.00 46 L 8.22 3.95 0.00 1.81 1.82 0.94 1.25 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 47 D 8.39 4.78 0.00 2.85 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 48 K 8.01 4.06 0.00 1.76 2.10 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 7.96 4.12 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 50 I 7.95 4.09 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 1.59 0.89 0.92 0.00 0.00 51 G 10.47 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 52 R 7.39 4.45 0.00 1.96 2.01 0.00 2.96 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 53 N 8.86 5.17 0.00 2.71 2.82 0.00 0.00 7.14 7.54 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 54 T 9.85 4.34 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 1.31 0.00 0.00 55 N 9.20 3.78 0.00 2.82 2.89 0.00 0.00 7.07 7.98 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 56 G 8.52 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 57 V 7.48 5.13 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 0.89 0.00 0.00 1.00 0.00 0.00 58 I 8.90 4.95 2.00 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 1.32 0.88 0.93 0.00 0.00 59 T 8.82 4.41 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 60 K 8.65 3.93 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.07 4.48 0.00 2.77 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 62 E 8.37 3.99 0.00 2.19 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 2.34 2.34 0.00 63 A 8.26 4.04 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 64 E 8.77 4.18 0.00 2.19 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 2.44 2.55 0.00 65 K 8.16 4.03 0.00 1.96 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.25 4.08 0.00 1.94 1.69 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.65 4.65 0.00 3.22 3.42 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 68 N 8.59 4.47 0.00 3.14 2.93 0.00 0.00 7.07 7.20 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 69 Q 8.11 4.07 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 70 D 8.52 4.32 0.00 3.12 2.43 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 71 V 8.00 3.73 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 0.55 0.00 0.00 0.10 0.00 0.00 72 D 8.27 4.28 0.00 3.06 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 73 A 8.28 3.94 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 74 A 7.97 3.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.40 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 0.81 0.00 0.00 0.95 0.00 0.00 76 R 8.31 3.94 0.00 1.83 1.93 0.00 3.31 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 77 G 7.97 3.57 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 0.00 0.00 0.00 78 I 7.51 3.81 1.70 0.00 0.00 0.80 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 0.49 0.59 0.00 0.00 79 L 7.71 3.92 0.00 1.63 1.66 0.82 0.74 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 80 R 7.37 4.33 0.00 1.81 1.94 0.00 3.13 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 81 N 7.59 4.59 0.00 2.99 2.78 0.00 0.00 7.10 7.65 0.00 0.00 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 A 8.71 4.13 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 83 K 8.34 4.31 0.00 1.73 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *85 K 8.13 4.40 0.00 1.99 1.85 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.47 7.81 86 P 0.00 4.84 0.00 2.29 2.28 0.00 3.99 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 2.17 2.03 0.00 *88 Y 8.01 4.53 0.00 2.99 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 89 D 8.70 4.62 0.00 2.92 2.78 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 90 S 7.66 4.42 0.00 4.05 4.19 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 *92 D 7.92 4.33 0.00 2.90 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 93 A 8.14 3.94 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 94 V 7.55 3.00 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 -0.35 0.00 0.00 0.41 0.00 0.00 95 R 7.80 3.55 0.00 1.81 1.88 0.00 3.36 0.00 0.00 3.57 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 96 R 7.89 3.66 0.00 1.59 1.55 0.00 2.84 0.00 0.00 2.58 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 97 A 7.48 4.16 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 98 A 7.13 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 N 7.71 4.30 0.00 2.88 3.02 0.00 0.00 6.65 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 *104 F 7.84 4.52 0.00 3.06 3.25 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 0.00 105 Q 8.49 4.29 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.28 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 *107 G 7.68 3.72 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 0.00 0.00 0.00 108 E 8.89 3.77 0.00 1.92 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 2.30 2.35 0.00 109 T 8.10 4.07 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 0.00 110 R 7.36 4.16 0.00 2.06 2.04 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 *112 A 8.11 4.32 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 0.00 113 G 8.22 3.63 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 0.00 0.00 0.00 114 F 8.10 4.39 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 115 T 7.71 3.89 4.33 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 1.21 0.00 0.00 116 N 8.17 4.42 0.00 2.69 2.82 0.00 0.00 6.91 7.57 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 0.00 117 S 7.59 4.03 0.00 4.14 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 *119 R 7.71 3.87 0.00 1.83 1.83 0.00 3.16 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 *122 Q 8.17 4.09 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 123 Q 8.06 4.26 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 5.90 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 124 K 7.07 2.87 0.00 1.86 1.96 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.41 7.81 125 R 6.75 4.29 0.00 1.69 1.78 0.00 3.05 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 126 W 7.75 4.34 0.00 3.36 3.21 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 0.00 127 D 8.20 4.47 0.00 2.82 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 0.00 128 E 8.24 3.93 0.00 2.15 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 2.38 2.38 0.00 129 A 8.11 3.93 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 0.00 130 A 7.81 4.14 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.16 3.67 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 0.79 0.00 0.00 1.03 0.00 0.00 132 N 8.37 4.45 0.00 2.88 3.02 0.00 0.00 7.01 8.62 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 *134 A 8.03 3.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.36 4.32 0.00 1.92 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 136 S 7.51 4.65 0.00 4.30 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 0.00 137 R 8.56 3.98 0.00 2.00 2.13 0.00 3.27 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 138 W 8.59 4.44 0.00 3.54 3.57 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 0.00 139 Y 8.53 3.57 0.00 3.08 3.05 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 0.00 0.00 0.00 140 N 8.51 4.46 0.00 2.96 2.95 0.00 0.00 7.08 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 0.00 141 Q 8.39 4.37 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.17 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 142 T 7.65 4.50 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 1.23 0.00 0.00 143 P 0.00 3.31 0.00 1.89 1.68 0.00 3.76 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 1.87 1.72 0.00 144 N 7.76 4.15 0.00 2.64 2.79 0.00 0.00 6.74 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 0.00 145 R 7.72 3.76 0.00 1.81 1.85 0.00 3.51 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 146 A 7.63 3.32 -0.01 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 0.00 0.00 147 K 8.04 3.99 0.00 1.74 1.92 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.65 7.81 148 R 7.73 3.84 0.00 1.95 1.43 0.00 2.21 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.61 0.00 149 V 8.00 3.87 2.60 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 1.44 0.00 0.00 1.33 0.00 0.00 150 I 8.61 4.00 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.88 1.05 0.00 0.00 151 T 8.42 3.93 4.52 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 1.25 0.00 0.00 152 T 8.26 3.97 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 0.90 0.00 0.00 153 F 8.28 4.24 0.00 3.35 3.05 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 0.00 0.00 0.00 154 R 8.41 4.28 0.00 2.03 2.13 0.00 3.51 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 155 T 8.16 4.13 4.15 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 1.21 0.00 0.00 156 G 8.15 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 0.00 157 T 7.40 4.41 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 1.18 0.00 0.00 158 W 8.27 4.98 0.00 3.47 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 0.00 159 D 8.28 4.41 0.00 2.81 2.78 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 0.00 160 A 8.20 4.18 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 0.00 161 Y 8.23 4.65 0.00 3.20 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 0.00 162 K 8.04 4.24 0.00 1.85 1.76 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.