NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.0638 8.1849 120.5513 54.2734 43.6045 177.0122 -3 Y 4.4309 6.7888 114.3230 57.0894 38.3234 174.9528 -2 F 5.0534 8.6158 117.6628 57.4005 41.2405 175.1452 -1 Q 4.7170 7.5643 117.7428 54.1211 29.5277 174.3714 0 G 3.5508 7.7139 108.7241 45.2728 0.0000 172.3575 -2 D 5.0734 8.6558 117.7627 53.9005 42.7405 175.6452 -1 L 4.7170 7.4043 119.7428 53.5211 42.5277 175.9714 0 T 3.9408 7.5339 113.5241 61.9728 65.0867 172.1575 5 K 4.5032 7.8951 118.1555 55.4066 34.2633 175.1412 6 Q 4.2580 7.6258 114.9115 54.1778 31.8635 173.9582 7 F 4.9651 7.9422 116.6584 55.2145 40.5147 174.5098 8 P 4.4043 0.0000 0.0000 62.2640 31.8204 176.2498 9 R 4.1555 8.5980 119.0020 55.7159 30.8497 176.9119 10 S 4.3488 8.4469 113.8203 57.8910 63.0654 173.2631 11 P 4.4393 0.0000 0.0000 65.4257 31.2533 178.1102 12 V 4.5749 7.5997 107.8055 60.2651 31.6924 175.8270 13 D 4.5917 7.8266 121.3186 53.2434 39.6590 176.2405 14 R 4.3313 8.1013 124.5240 55.4545 30.9479 176.2111 15 L 4.5672 7.9025 120.8269 54.6789 44.9904 176.3544 16 G 4.0235 9.9018 113.2244 46.5458 0.0000 173.0975 17 G 3.4819 7.3272 103.2906 45.8072 0.0000 173.2898 *19 D 4.3600 7.4056 117.4491 55.1435 42.6777 177.2414 20 H 4.1215 9.0545 122.0077 57.6035 30.9601 176.8046 21 L 3.3144 7.6048 120.4267 57.8471 41.8103 179.0375 22 K 3.9025 7.9032 117.8085 59.5248 31.9703 179.0697 23 R 3.8319 7.7763 118.5861 59.3730 30.0119 178.6725 24 V 3.7209 7.7647 118.9021 64.1732 31.4802 178.3799 25 I 3.9891 8.0908 121.0883 64.6157 36.9183 177.9046 26 D 4.3428 8.1114 119.4736 57.4574 40.6047 179.0832 27 K 3.9731 8.3727 118.8301 59.3156 31.9688 179.3097 28 A 3.2203 8.6030 121.4762 55.0527 18.3741 179.8727 29 R 3.7525 8.1989 116.5104 59.2924 30.0159 179.1420 30 A 3.9692 8.2333 120.7834 55.3150 18.2258 179.1262 31 H 4.0579 8.4555 117.1032 59.5023 29.7082 177.6642 32 V 3.4251 7.6546 118.5948 65.7286 31.4168 177.2798 33 A 4.2476 7.7737 118.7388 52.0246 18.6920 177.4881 34 G 3.8613 7.6839 105.4184 47.1039 0.0000 173.8580 35 T 4.7357 7.9435 107.5476 60.8517 69.2673 175.2263 36 L 4.2266 8.2810 123.6616 56.8727 43.2605 178.9382 37 G 3.7930 7.6928 106.0207 47.1654 0.0000 174.9552 38 E 4.1856 8.9782 123.8962 56.9370 29.5503 175.9991 39 Y 4.3721 7.9211 117.1898 57.2945 39.1249 175.0586 40 T 4.6532 8.3200 117.5781 61.8965 71.2723 173.4600 41 Y 4.3687 8.8046 128.0262 58.0322 39.5487 171.5924 42 N 3.7575 8.2931 131.0981 52.8089 37.6855 171.4609 *44 P 4.4328 0.0000 0.0000 62.2070 33.9293 179.2495 45 L 3.9537 7.7540 119.1348 58.1220 41.9915 178.4675 46 D 4.1137 7.9854 118.3805 57.4711 40.7290 178.6284 47 Q 4.1799 8.0555 117.7575 58.9120 28.7416 178.6317 48 A 4.1174 8.0555 121.8789 55.0195 18.3701 179.4726 49 F 3.9034 8.2181 118.9999 61.5210 39.4420 177.3915 50 F 4.4312 8.3750 117.8069 60.7215 38.7774 177.8118 51 S 4.1372 8.6396 115.2231 61.6522 62.4425 176.5165 52 F 3.7098 7.9528 121.9717 60.6645 39.1719 176.2473 53 F 4.6049 7.4909 113.7946 56.2056 39.4475 175.6375 54 G 3.8123 7.7493 106.0931 46.8871 0.0000 173.7604 55 L 4.7657 8.1170 118.2440 52.6182 44.3558 176.3942 56 D 4.7497 8.4124 120.8181 53.0025 43.0646 177.2465 57 H 3.2537 8.4489 123.1299 58.5209 28.5031 177.5750 58 E 4.0381 8.2536 121.4907 59.1434 29.2949 179.3372 59 K 4.0676 8.2337 118.1633 59.2239 32.2876 179.0442 60 F 3.4715 8.6757 121.2006 61.1608 39.1355 177.1376 61 A 3.9383 8.0229 119.2382 54.9907 18.3165 178.9205 62 E 3.8805 8.2356 117.8250 59.2211 29.3274 178.9239 63 A 3.4912 7.4621 120.9892 54.8546 18.1463 179.9705 64 V 3.3593 7.0948 110.6527 64.1633 31.2311 178.6898 65 K 3.7700 7.3659 117.7085 58.9306 31.9557 177.7612 66 S 4.6486 7.4238 108.4581 57.9318 63.2522 174.8564 67 R 4.5091 7.4263 120.8359 53.8182 30.0146 173.1557 68 P 4.3419 0.0000 0.0000 64.8221 32.4429 178.0134 69 Q 4.3787 8.3579 118.0669 54.6495 29.7728 176.2374 70 D 4.4323 8.9301 121.7196 57.7241 41.2460 178.5898 71 Q 4.1314 8.0788 116.3137 59.2178 29.0080 177.9889 72 D 4.3403 7.9805 115.6440 55.0471 40.3850 177.5965 *74 L 4.1669 8.0534 123.2286 55.0863 43.8878 178.7155 75 A 4.0162 8.0669 120.2258 54.7932 18.1756 179.4913 76 W 3.9848 8.2976 126.9665 60.5625 30.9726 178.3387 77 V 3.5968 8.1151 117.7451 66.4902 30.7919 177.4142 78 H 4.3129 8.1023 116.1775 58.4389 28.6115 177.3807 79 S 4.1230 7.9575 113.8702 61.1493 62.2590 175.6011 80 Q 4.2447 7.3403 118.8114 55.9801 29.0248 175.9614 81 S 4.3775 7.5580 113.0922 54.8537 63.7269 171.7024 82 P 4.3695 0.0000 0.0000 65.5542 31.0912 178.2970 83 R 4.0058 8.0495 117.2212 59.3577 29.6965 178.4279 84 S 4.3922 8.3705 113.5802 60.5385 62.6945 175.5045 85 K 4.4875 7.7648 120.4145 55.5785 32.4138 176.2441 86 N 4.8051 7.8179 119.4990 51.3880 40.0600 173.1249 87 P 4.3798 0.0000 0.0000 65.4903 31.4686 178.8462 88 K 4.0766 8.2723 117.4725 59.4422 31.8758 179.2504 89 E 4.1979 8.4827 118.5563 59.3574 29.4054 179.3091 90 V 3.9543 8.2234 118.4370 66.2337 31.5343 177.9958 91 E 4.0369 8.5783 118.4340 59.4490 29.3898 179.5165 92 S 4.1388 8.3082 115.3547 61.3849 62.8949 176.3630 93 F 3.3622 8.1433 123.4001 61.1937 38.9185 176.7960 94 N 4.2029 8.4014 116.2399 56.3347 38.1163 177.3464 95 R 3.8412 7.9062 119.0912 59.3990 30.6151 177.9377 96 E 4.0151 7.9341 118.7782 59.2226 29.5828 177.8946 97 Y 3.9017 7.8742 120.0062 60.8664 38.5599 178.0394 98 E 4.0990 8.4024 117.6501 58.4131 29.7080 178.3794 99 S 4.5107 7.4740 113.0891 57.7187 63.7122 174.5916 100 R 4.0628 7.3572 123.0886 56.2298 30.2174 175.9766 101 S 4.5085 8.2138 116.0066 55.1312 66.4010 171.8054 102 P 4.5161 0.0000 0.0000 63.6131 31.2450 176.6385 103 D 4.7585 8.9853 121.5674 53.4055 39.9151 176.2982 104 S 4.6543 7.5778 113.9384 56.1157 67.2262 173.4950 105 P 4.5881 0.0000 0.0000 65.7166 31.1258 178.8345 106 E 4.0632 8.3011 117.1209 59.6324 29.4131 179.4858 107 K 4.3703 8.3019 118.3728 59.0051 32.0604 179.3340 108 W 4.2366 8.6932 129.3287 60.5632 30.6309 177.6208 109 D 4.0576 8.5890 119.2760 57.4786 40.2914 178.2524 110 Y 4.1279 8.0874 119.6945 60.6983 38.7859 177.7888 111 F 3.5806 8.5471 121.7742 61.3775 39.4137 177.2920 112 R 3.9050 8.4224 118.2616 59.1286 29.5305 179.1924 113 S 4.0513 7.5391 113.4475 61.2583 63.1399 176.6222 114 V 3.4988 7.2586 121.7147 65.6032 31.3182 177.8643 115 R 3.6678 7.7542 118.7744 59.6704 29.6430 178.2174 116 D 4.5819 8.1734 117.5729 57.1625 40.7769 178.4884 117 S 4.2922 7.6490 114.7163 60.3972 62.9764 175.8107 118 L 4.4397 7.5143 119.8153 55.6756 43.7628 177.5504 119 A 4.7106 8.1905 121.3053 50.3253 20.6725 174.5574 120 P 4.2169 0.0000 0.0000 65.0831 31.7775 179.1325 121 G 3.6842 7.9853 105.5738 47.0618 0.0000 173.9695 122 R 4.4607 8.0128 123.2642 55.3564 28.6811 177.5718 123 T 4.1901 7.5209 107.0520 63.2973 69.7148 175.9917 124 D 4.3725 7.9560 121.0463 55.0490 39.9574 176.2819 125 I 4.1808 7.6176 121.6558 60.7261 36.3206 175.3538 126 T 4.2969 8.4058 114.3423 60.5925 70.2422 174.5034 127 T 4.5650 7.4616 113.3091 59.7075 72.3436 175.0840 128 W 4.6213 8.6927 123.5705 60.4499 29.1506 179.5058 129 V 3.6822 7.8425 111.7480 64.1039 31.0078 178.7249 130 K 4.0258 7.7690 118.2368 59.2177 31.8471 178.9541 131 L 3.8340 8.0255 120.6908 58.1540 41.9028 179.0507 132 L 3.9819 8.2204 118.8770 58.0894 41.5306 179.3548 133 D 4.3445 7.9747 118.3699 57.0142 40.6945 178.5958 134 L 3.8867 8.0090 121.0596 58.1511 41.8940 178.6894 135 E 3.9306 8.2365 118.4166 58.6595 29.4975 177.4628 136 E 3.3388 7.5616 116.6391 54.9301 29.8768 176.0275 137 K 3.8884 7.6347 116.4395 57.6999 30.1616 175.7212 138 R 4.6984 7.8768 116.5553 53.6084 32.2551 174.9021 139 P 4.4772 0.0000 0.0000 62.8070 32.0964 177.1783 140 V 4.0485 8.0378 113.9902 61.7384 32.5765 175.4007 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 L 8.18 4.06 0.00 0.27 1.29 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 6.79 4.43 0.00 1.66 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 0.00 0.00 0.00 0.00 -2 F 8.62 5.05 0.00 3.04 2.99 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 -1 Q 7.56 4.72 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 0 G 7.71 3.55 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 0.00 0.00 0.00 -2 D 8.66 5.07 0.00 2.62 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 0.00 0.00 0.00 0.00 -1 L 7.40 4.72 0.00 1.51 1.73 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0 T 7.53 3.94 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 5 K 7.90 4.50 0.00 1.79 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.36 7.81 6 Q 7.63 4.26 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 7 F 7.94 4.97 0.00 3.11 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 8 P 0.00 4.40 0.00 2.05 1.83 0.00 3.62 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.25 0.00 9 R 8.60 4.16 0.00 1.88 1.93 0.00 3.19 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 10 S 8.45 4.35 0.00 3.88 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 11 P 0.00 4.44 0.00 2.41 2.43 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 12 V 7.60 4.57 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 1.00 0.00 0.00 0.99 0.00 0.00 13 D 7.83 4.59 0.00 2.70 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 14 R 8.10 4.33 0.00 1.87 1.87 0.00 3.26 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 15 L 7.90 4.57 0.00 1.66 1.45 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.90 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 17 G 7.33 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.41 4.36 0.00 2.59 2.35 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 20 H 9.05 4.12 0.00 2.89 2.86 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.60 3.31 0.00 1.72 1.58 1.24 0.78 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 22 K 7.90 3.90 0.00 1.81 1.84 0.00 2.02 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.50 7.81 23 R 7.78 3.83 0.00 1.91 1.83 0.00 3.31 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 24 V 7.76 3.72 1.64 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 0.42 0.00 0.00 0.88 0.00 0.00 25 I 8.09 3.99 2.09 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 1.63 1.02 0.91 0.00 0.00 26 D 8.11 4.34 0.00 2.85 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 27 K 8.37 3.97 0.00 2.01 2.14 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.58 7.81 28 A 8.60 3.22 1.55 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 0.00 0.00 29 R 8.20 3.75 0.00 1.97 1.94 0.00 3.31 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 30 A 8.23 3.97 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 31 H 8.46 4.06 0.00 3.10 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.65 3.43 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 0.79 0.00 0.00 0.90 0.00 0.00 33 A 7.77 4.25 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 34 G 7.68 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 35 T 7.94 4.74 4.40 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 1.21 0.00 0.00 36 L 8.28 4.23 0.00 1.84 2.11 1.10 1.09 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 37 G 7.69 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 38 E 8.98 4.19 0.00 1.74 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 2.30 2.23 0.00 39 Y 7.92 4.37 0.00 3.26 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 40 T 8.32 4.65 4.29 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 1.26 0.00 0.00 41 Y 8.80 4.37 0.00 2.94 2.92 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 42 N 8.29 3.76 0.00 2.34 2.66 0.00 0.00 7.19 7.99 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 *44 P 0.00 4.43 0.00 2.13 2.07 0.00 3.57 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 1.92 2.03 0.00 45 L 7.75 3.95 0.00 1.66 1.64 0.82 1.30 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 46 D 7.99 4.11 0.00 2.59 2.33 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 47 Q 8.06 4.18 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 48 A 8.06 4.12 1.55 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 0.00 0.00 49 F 8.22 3.90 0.00 3.14 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 50 F 8.38 4.43 0.00 3.13 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 51 S 8.64 4.14 0.00 4.08 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 52 F 7.95 3.71 0.00 3.06 2.38 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 53 F 7.49 4.60 0.00 2.73 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 54 G 7.75 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 55 L 8.12 4.77 0.00 1.88 1.80 1.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.41 4.75 0.00 2.72 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 0.00 0.00 0.00 0.00 57 H 8.45 3.25 0.00 3.13 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.25 4.04 0.00 2.11 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 0.00 2.28 1.94 0.00 59 K 8.23 4.07 0.00 2.18 2.20 0.00 1.82 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.56 7.81 60 F 8.68 3.47 0.00 3.26 3.16 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 61 A 8.02 3.94 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 62 E 8.24 3.88 0.00 2.05 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 2.26 2.27 0.00 63 A 7.46 3.49 -0.34 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 64 V 7.09 3.36 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 0.42 0.00 0.00 0.78 0.00 0.00 65 K 7.37 3.77 0.00 1.73 1.80 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 66 S 7.42 4.65 0.00 3.95 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 67 R 7.43 4.51 0.00 1.70 1.77 0.00 2.96 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 68 P 0.00 4.34 0.00 2.16 2.15 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 69 Q 8.36 4.38 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 70 D 8.93 4.43 0.00 2.67 2.77 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 71 Q 8.08 4.13 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.16 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 72 D 7.98 4.34 0.00 2.87 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 *74 L 8.05 4.17 0.00 1.75 1.83 0.77 1.12 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 75 A 8.07 4.02 1.45 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 0.00 0.00 76 W 8.30 3.98 0.00 3.42 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 77 V 8.12 3.60 2.30 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 0.98 0.00 0.00 1.46 0.00 0.00 78 H 8.10 4.31 0.00 3.27 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.96 4.12 0.00 3.87 3.73 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 0.00 0.00 0.00 0.00 80 Q 7.34 4.24 0.00 1.44 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.66 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 81 S 7.56 4.38 0.00 3.85 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 82 P 0.00 4.37 0.00 2.18 2.08 0.00 3.62 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 2.08 2.12 0.00 83 R 8.05 4.01 0.00 1.85 2.05 0.00 2.82 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 84 S 8.37 4.39 0.00 3.81 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 85 K 7.76 4.49 0.00 1.89 1.81 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.56 7.81 86 N 7.82 4.81 0.00 2.80 2.92 0.00 0.00 7.16 7.85 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 87 P 0.00 4.38 0.00 2.24 2.13 0.00 3.68 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 2.14 2.21 0.00 88 K 8.27 4.08 0.00 2.05 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 89 E 8.48 4.20 0.00 2.46 2.27 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 2.63 2.37 0.00 90 V 8.22 3.95 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 1.27 0.00 0.00 1.14 0.00 0.00 91 E 8.58 4.04 0.00 2.25 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 0.00 2.38 2.56 0.00 92 S 8.31 4.14 0.00 4.26 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 93 F 8.14 3.36 0.00 1.51 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 94 N 8.40 4.20 0.00 2.93 3.08 0.00 0.00 6.74 8.35 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 95 R 7.91 3.84 0.00 1.85 2.08 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 96 E 7.93 4.02 0.00 2.09 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 2.27 2.29 0.00 97 Y 7.87 3.90 0.00 1.95 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 98 E 8.40 4.10 0.00 2.04 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 2.46 2.73 0.00 99 S 7.47 4.51 0.00 3.96 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 0.00 100 R 7.36 4.06 0.00 1.97 2.03 0.00 2.95 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 101 S 8.21 4.51 0.00 3.58 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 0.00 102 P 0.00 4.52 0.00 2.14 2.17 0.00 2.80 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.99 0.00 103 D 8.99 4.76 0.00 2.81 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 0.00 104 S 7.58 4.65 0.00 4.32 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 0.00 105 P 0.00 4.59 0.00 2.31 2.40 0.00 3.67 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 2.22 0.00 106 E 8.30 4.06 0.00 2.14 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 2.45 2.53 0.00 107 K 8.30 4.37 0.00 2.19 2.32 0.00 2.11 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.60 7.81 108 W 8.69 4.24 0.00 3.28 3.37 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 0.00 109 D 8.59 4.06 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.09 4.13 0.00 3.22 3.33 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 0.00 111 F 8.55 3.58 0.00 2.98 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 0.00 112 R 8.42 3.90 0.00 1.71 1.76 0.00 2.90 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.27 0.00 113 S 7.54 4.05 0.00 3.98 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 0.00 114 V 7.26 3.50 1.70 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 0.78 0.00 0.00 0.48 0.00 0.00 115 R 7.75 3.67 0.00 1.62 1.91 0.00 3.47 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 116 D 8.17 4.58 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 117 S 7.65 4.29 0.00 3.89 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 0.00 118 L 7.51 4.44 0.00 1.51 1.64 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.19 4.71 1.17 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 0.00 0.00 120 P 0.00 4.22 0.00 2.16 2.30 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 121 G 7.99 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 0.00 122 R 8.01 4.46 0.00 1.92 1.89 0.00 3.29 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 123 T 7.52 4.19 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 1.23 0.00 0.00 124 D 7.96 4.37 0.00 2.81 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 0.00 125 I 7.62 4.18 2.04 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 1.37 0.58 1.00 0.00 0.00 126 T 8.41 4.30 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 1.14 0.00 0.00 127 T 7.46 4.56 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 1.20 0.00 0.00 128 W 8.69 4.62 0.00 3.39 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 0.00 129 V 7.84 3.68 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 0.45 0.00 0.00 0.90 0.00 0.00 130 K 7.77 4.03 0.00 2.08 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 131 L 8.03 3.83 0.00 1.39 1.74 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.22 3.98 0.00 1.98 1.73 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.97 4.34 0.00 2.68 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 0.00 134 L 8.01 3.89 0.00 1.81 1.77 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.24 3.93 0.00 1.95 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 2.19 2.27 0.00 136 E 7.56 3.34 0.00 1.79 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 1.47 1.98 0.00 137 K 7.63 3.89 0.00 2.07 1.97 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 138 R 7.88 4.70 0.00 1.85 1.84 0.00 3.40 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 139 P 0.00 4.48 0.00 2.05 1.99 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 140 V 8.04 4.05 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 0.82 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.