NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2332 8.2501 117.2826 55.3294 30.8076 174.7536 2 A 3.8594 8.4693 121.6408 51.8001 18.7089 172.8117 3 V 3.6116 8.1696 114.3024 60.8875 32.7264 173.3707 4 P 4.4638 0.0000 0.0000 62.8078 31.7764 174.6648 5 G 4.0165 8.1941 106.1883 45.5139 0.0000 173.7149 6 G 4.1009 9.8575 108.4887 44.9191 0.0000 177.6002 7 S 3.8560 9.4081 119.7647 58.6744 63.5861 174.3371 8 S 3.2197 7.7114 114.5139 57.5748 63.8644 174.2581 9 P 4.6480 0.0000 0.0000 61.2510 34.8844 174.8696 10 A 4.3764 8.4518 118.8576 55.6339 16.3015 179.6567 11 W 4.7481 7.0556 124.1096 58.9803 30.4726 179.3409 12 T 4.1133 8.2189 115.1054 66.5661 68.3306 177.0654 13 Q 4.0752 8.0362 118.7803 58.3108 28.5703 178.6328 14 C 3.7745 8.0808 118.4713 62.6850 28.2458 175.7341 15 Q 4.1574 8.4561 119.4922 59.4955 28.8351 176.7784 16 Q 4.1184 10.0859 120.4555 56.7381 28.4673 177.4348 17 L 3.8398 8.2590 122.1780 58.9318 42.0011 180.0213 18 S 4.0534 8.3175 114.1003 61.1894 62.7576 175.9239 19 Q 4.2120 8.4416 122.8622 58.0280 28.9924 177.8310 20 K 4.0648 7.9821 119.3732 58.9357 32.0526 178.7410 21 L 3.9726 8.1238 121.1725 58.4470 42.1127 178.9189 22 C 4.2754 7.8831 116.5696 63.2149 27.9992 176.1904 23 T 4.0362 7.8607 117.2594 66.4127 67.8985 176.2978 24 L 3.9106 8.0685 121.9897 58.2320 41.9515 178.5720 25 A 3.8276 7.8869 119.3803 55.2726 18.4737 179.4919 26 W 3.8610 8.0572 116.6078 59.8431 29.0005 178.7623 27 S 4.1933 8.2419 113.8643 61.7900 62.4854 176.3706 28 A 4.2529 8.0765 119.2132 52.1520 19.3685 176.8328 29 H 4.5617 8.0185 115.3396 54.6984 32.3154 171.2202 30 P 4.5771 0.0000 0.0000 62.1006 32.2717 177.4649 31 L 4.3029 8.5516 120.2688 58.0169 42.2467 177.9949 32 V 4.0447 7.1185 120.1695 62.6110 31.3694 176.1398 33 G 3.9500 7.6919 114.4016 45.7374 0.0000 174.9688 34 H 4.7363 8.7265 123.5526 54.3392 30.5262 176.1249 35 M 4.5455 8.7232 133.5349 59.0631 31.8985 179.3570 36 D 4.2266 9.3866 123.1692 54.5006 42.9090 177.8411 37 L 4.7639 8.6366 131.5943 54.7721 42.6272 175.6246 38 R 4.4770 8.3700 125.3453 55.2426 30.7825 174.2549 *44 E 4.1082 8.5298 116.2188 56.5063 30.4454 176.6094 45 T 4.0860 8.6165 121.9688 63.8471 69.2005 171.9646 46 T 3.4134 7.7680 117.2277 61.0321 69.8234 171.3867 47 N 4.7402 8.9968 120.1194 57.5232 38.9242 174.3688 48 D 4.2888 6.7462 116.6804 50.3659 42.5944 176.1391 49 V 3.2388 7.5982 113.7224 58.3986 34.1105 174.0111 50 P 4.2576 0.0000 0.0000 62.7935 31.7183 176.0452 51 H 5.2553 8.3036 117.1092 54.2607 32.3357 175.1805 52 I 4.1559 8.4663 125.4395 60.9373 34.9283 175.3537 53 Q 4.4098 8.3354 123.4303 55.1657 30.0549 177.4904 54 C 3.1551 8.8317 111.9354 62.7668 31.5145 175.2327 55 G 4.0875 8.9213 105.4968 46.0767 0.0000 174.1835 56 D 4.9133 8.2411 118.6319 53.7229 41.5835 176.9813 57 G 4.0385 7.4877 106.4793 47.3972 0.0000 174.1730 58 C 4.7391 8.0915 112.0770 59.0756 29.1939 174.4138 59 D 4.7122 7.7621 120.1807 51.6638 40.7325 175.3904 60 P 4.1016 0.0000 0.0000 66.0549 31.0466 178.4579 61 Q 4.1379 8.0436 117.1477 58.9035 28.6688 178.2549 62 G 3.8627 8.2286 107.0186 45.9369 0.0000 173.9626 63 L 5.0590 7.3456 122.8640 56.1682 42.4248 178.4406 64 R 4.0203 7.7008 116.9390 58.9725 29.3980 179.0499 65 D 4.4096 7.6652 116.4258 54.7459 41.6159 175.5119 66 N 4.7665 6.8403 114.6675 53.0490 40.6707 175.6220 67 S 4.7420 8.5123 116.7597 57.3771 65.2323 175.8384 68 Q 3.9272 8.4139 122.1230 59.1829 28.7092 177.6843 69 F 4.0442 7.9651 121.1895 61.4523 39.4332 176.1256 70 C 4.1441 8.3287 119.1406 62.0847 31.1713 175.5440 71 L 3.9364 8.5111 120.3673 57.8379 40.9647 179.2957 72 Q 3.9061 7.9640 118.6207 59.6617 29.2128 177.7381 73 R 3.9301 8.2880 119.9238 59.0098 29.9896 178.5305 74 I 3.8288 8.3435 118.4893 65.0372 37.3708 177.3351 75 H 4.1602 9.3148 119.1428 59.7187 29.7440 177.1703 76 Q 4.1242 8.7787 121.7007 58.8506 28.6930 178.6477 77 G 2.9700 8.2179 106.7953 47.5880 0.0000 175.3954 78 L 4.0765 8.0082 121.8286 57.6455 41.6478 179.6207 79 I 3.6321 7.8138 119.3607 64.3324 36.9442 178.1710 80 F 4.0681 8.0514 121.2533 61.4728 39.2778 176.7631 81 Y 3.6494 8.6402 117.4641 60.9914 37.5503 178.1348 82 E 3.7985 8.7391 118.2514 59.6823 29.5526 179.3921 83 K 3.9848 7.9455 118.8451 59.2616 31.7220 178.9676 84 L 3.7548 7.6268 119.5975 58.1990 41.3503 179.9101 85 L 2.5364 7.3519 116.9168 56.9574 41.3563 179.4538 86 G 3.6326 8.4925 106.2984 47.1615 0.0000 173.2976 87 S 3.9409 7.1612 116.4614 54.2885 64.9744 175.0145 88 D 4.5100 8.9158 122.2422 56.0258 39.3141 178.5078 89 I 3.6622 7.5433 120.4096 64.3052 37.3604 176.8627 90 F 4.4843 8.5598 117.2288 58.6163 39.9435 178.5387 91 T 3.8884 8.1456 116.9561 66.2831 68.7654 175.0451 92 G 3.9427 10.9308 109.4007 45.2076 0.0000 171.7520 93 E 4.3903 8.4970 118.3036 55.2114 30.0051 174.8831 94 P 4.6132 0.0000 0.0000 61.4914 31.1620 175.7260 95 S 4.8975 8.5028 117.5300 58.3264 63.0542 173.9981 96 L 4.5540 8.9667 124.1867 53.8392 42.8259 176.7144 97 L 4.2953 8.4580 122.9767 53.8228 43.0835 175.9787 98 P 4.2303 0.0000 0.0000 65.9725 31.3612 178.6440 99 D 4.4340 8.0001 115.1020 55.1489 39.4713 176.8277 100 S 4.2815 7.8217 115.3468 57.7320 63.4658 173.6780 101 P 4.1316 0.0000 0.0000 65.9349 30.6660 177.2073 102 V 3.5846 7.2618 119.0136 64.1143 31.6682 177.5857 103 G 4.4548 7.8351 108.9958 47.2702 0.0000 174.2848 104 Q 3.9773 7.6942 117.3220 57.4775 29.9293 177.9817 105 L 3.9044 9.6129 118.3900 58.0979 41.5101 178.7303 106 H 4.0690 8.2773 117.3287 60.2779 29.4499 175.5399 107 A 4.1386 7.8010 122.9516 53.1290 17.8237 179.2171 108 S 4.2311 8.6761 109.8563 61.8091 62.4000 176.5786 109 L 3.9395 8.4358 121.5040 57.9637 41.0497 178.9316 110 L 4.2460 8.0135 123.1258 58.9003 42.4043 179.4444 111 G 3.6223 9.0492 107.1962 47.0696 0.0000 175.0868 112 L 3.8681 9.6762 122.8658 57.4777 42.2379 179.5756 113 S 4.1258 9.2454 114.4798 61.8855 62.5103 176.6066 114 Q 4.4214 8.0124 122.5097 57.0696 28.1289 177.6195 115 L 4.5867 7.7208 118.6819 54.3773 41.9069 176.1653 116 L 4.4978 7.8770 117.8016 55.7893 43.6695 176.7362 117 Q 4.5240 7.8383 117.8320 53.7576 30.7190 174.1022 118 P 4.8110 0.0000 0.0000 62.8144 31.8622 176.2985 119 E 4.8035 8.1294 112.9416 56.6437 37.4300 181.1603 120 G 3.5552 7.7749 108.4456 45.8848 0.0000 175.1467 121 H 4.5043 8.1529 123.0288 56.8687 31.2600 172.8896 *122 H 5.0788 8.4747 125.3848 51.9008 31.3637 169.0147 *129 P 4.3664 0.0000 0.0000 64.1931 32.1687 177.0912 130 S 4.2248 8.5606 114.9836 59.1630 63.8423 175.4214 131 L 3.5715 7.7629 119.1544 55.2997 39.0661 173.7695 132 S 3.4614 8.4269 115.5650 59.4621 61.6178 169.5383 133 P 4.4598 0.0000 0.0000 64.2916 32.3279 179.1967 134 S 4.7065 9.1432 118.4646 58.3991 66.5607 176.7844 135 Q 3.2591 8.6538 114.0452 56.6979 24.6941 168.4728 136 P 4.6531 0.0000 0.0000 63.6640 30.0197 178.1602 137 W 4.2592 8.4042 127.4452 60.7291 30.1074 177.5243 138 Q 4.0613 9.0687 116.4673 58.0601 28.4814 178.2549 139 R 3.8649 7.8661 121.0197 59.0991 30.0590 178.4086 140 L 3.8471 7.7197 118.2904 57.9114 41.6422 178.9595 141 L 3.4758 6.8158 119.9749 58.3348 41.7581 179.1964 142 L 3.9968 7.4784 117.4747 57.7228 41.6102 179.3507 143 R 3.4499 8.2428 118.3592 59.3005 29.9651 179.1787 144 F 3.8823 8.7925 117.5243 60.3101 38.9271 177.7796 145 K 3.9313 8.1899 118.1252 59.7597 31.9136 179.2461 146 I 3.8977 8.4928 120.0160 64.5159 37.0867 178.5441 147 L 3.8605 7.9676 119.6026 57.7135 41.2320 179.5423 148 R 3.9828 8.1170 118.9082 58.8858 30.2191 177.8316 149 S 4.3545 8.3404 113.2404 61.5435 62.3355 175.9862 150 L 2.9524 8.1148 122.9187 58.1287 41.6817 178.7630 151 Q 3.8440 8.2143 118.0914 58.8899 28.1702 179.6474 152 A 4.1171 7.6404 121.8988 55.1956 18.5564 178.9861 153 F 4.0701 8.2375 119.1665 61.6956 39.5276 177.5904 154 V 3.6550 8.1402 111.2836 64.5079 31.3641 177.9807 155 A 4.0378 7.7452 119.5626 54.9118 18.1458 179.3784 156 V 3.4292 7.7628 114.8857 66.1707 31.6224 177.8327 157 A 3.8142 7.8404 120.0518 56.0221 18.1051 178.7676 158 A 4.2001 8.5312 120.5649 54.3085 18.2560 179.5621 159 R 3.8781 8.3574 114.4760 59.2896 30.6018 179.2272 160 V 3.5156 8.5169 118.2229 66.3975 31.5123 178.2874 161 F 4.8637 8.3109 116.7300 60.1032 38.6457 177.7147 162 A 4.0091 8.5979 121.2910 55.5449 17.8744 178.5855 163 H 4.0002 8.5344 117.0013 59.6870 29.8274 177.1450 164 G 2.0000 7.3868 106.2238 47.0088 0.0000 175.1749 165 A 3.9824 7.4785 121.4452 54.9428 18.5747 179.3330 166 A 4.0158 7.8121 118.1264 54.9323 18.5652 178.9970 167 T 4.2027 8.4353 106.6269 62.5199 70.2806 175.8454 168 L 4.0285 7.2126 123.1586 56.9409 42.1750 177.7411 169 S 4.9236 7.2121 112.4722 54.9533 65.0833 173.8478 170 P 4.5341 0.0000 0.0000 63.8285 30.8247 176.2928 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 1 R 8.25 4.23 0.00 1.95 2.02 0.00 3.21 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 2 A 8.47 3.86 1.30 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 0.00 0.00 3 V 8.17 3.61 2.25 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 0.69 0.00 0.00 0.93 0.00 0.00 4 P 0.00 4.46 0.00 2.22 2.15 0.00 3.97 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 2.10 2.09 0.00 5 G 8.19 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 6 G 9.86 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 0.00 0.00 0.00 7 S 9.41 3.86 0.00 3.87 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 8 S 7.71 3.22 0.00 3.75 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 9 P 0.00 4.65 0.00 1.79 1.95 0.00 2.90 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 10 A 8.45 4.38 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 11 W 7.06 4.75 0.00 3.48 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 12 T 8.22 4.11 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 1.38 0.00 0.00 13 Q 8.04 4.08 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 14 C 8.08 3.77 0.00 3.07 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 15 Q 8.46 4.16 0.00 2.46 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 16 Q 10.09 4.12 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.43 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 17 L 8.26 3.84 0.00 1.74 1.77 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.32 4.05 0.00 4.13 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 19 Q 8.44 4.21 0.00 2.17 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 20 K 7.98 4.06 0.00 2.00 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.49 7.81 21 L 8.12 3.97 0.00 1.93 1.87 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.88 4.28 0.00 3.20 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 23 T 7.86 4.04 4.39 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 1.26 0.00 0.00 24 L 8.07 3.91 0.00 1.97 1.66 0.92 0.92 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 25 A 7.89 3.83 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 26 W 8.06 3.86 0.00 3.64 3.36 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 27 S 8.24 4.19 0.00 3.98 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 28 A 8.08 4.25 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 29 H 8.02 4.56 0.00 2.77 2.94 0.00 5.99 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.58 0.00 2.21 2.07 0.00 3.57 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 2.13 2.21 0.00 31 L 8.55 4.30 0.00 1.67 1.76 1.09 0.84 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 32 V 7.12 4.04 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 0.81 0.00 0.00 0.95 0.00 0.00 33 G 7.69 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 34 H 8.73 4.74 0.00 3.44 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.72 4.55 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.14 0.00 36 D 9.39 4.23 0.00 2.79 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 0.00 0.00 0.00 37 L 8.64 4.76 0.00 1.99 1.65 0.92 0.49 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 38 R 8.37 4.48 0.00 2.19 1.79 0.00 3.38 0.00 0.00 3.15 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.00 *44 E 8.53 4.11 0.00 2.01 1.90 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 2.22 2.36 0.00 45 T 8.62 4.09 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 46 T 7.77 3.41 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 1.25 0.00 0.00 47 N 9.00 4.74 0.00 2.76 2.91 0.00 0.00 7.02 8.06 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 48 D 6.75 4.29 0.00 2.83 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 49 V 7.60 3.24 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 0.87 0.00 0.00 50 P 0.00 4.26 0.00 1.86 1.83 0.00 2.20 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 51 H 8.30 5.26 0.00 3.17 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.47 4.16 1.75 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 0.86 0.00 0.00 53 Q 8.34 4.41 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.58 0.00 0.00 0.00 0.00 0.00 2.93 2.42 0.00 54 C 8.83 3.16 0.00 3.01 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 55 G 8.92 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.24 4.91 0.00 3.07 2.88 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 57 G 7.49 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 0.00 0.00 0.00 58 C 8.09 4.74 0.00 2.91 2.87 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 59 D 7.76 4.71 0.00 2.84 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 60 P 0.00 4.10 0.00 2.22 2.15 0.00 3.66 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 2.03 1.97 0.00 61 Q 8.04 4.14 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 62 G 8.23 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 63 L 7.35 5.06 0.00 1.93 1.75 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.70 4.02 0.00 1.83 1.89 0.00 3.25 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 65 D 7.67 4.41 0.00 2.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.84 4.77 0.00 2.82 2.71 0.00 0.00 6.94 6.87 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 67 S 8.51 4.74 0.00 4.22 4.20 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.78 4.12 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 77 G 8.22 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 0.00 0.00 0.00 78 L 8.01 4.08 0.00 1.81 1.77 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.81 3.63 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.92 0.00 0.00 80 F 8.05 4.07 0.00 3.02 2.87 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 81 Y 8.64 3.65 0.00 2.77 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 82 E 8.74 3.80 0.00 1.98 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 2.27 2.55 0.00 83 K 7.95 3.98 0.00 1.85 1.77 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.66 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0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 140 L 7.72 3.85 0.00 1.32 1.41 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 141 L 6.82 3.48 0.00 1.47 1.24 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.48 4.00 0.00 1.85 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.24 3.45 0.00 2.01 1.81 0.00 2.99 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.54 0.00 144 F 8.79 3.88 0.00 3.04 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 0.00 145 K 8.19 3.93 0.00 2.06 1.94 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 146 I 8.49 3.90 2.37 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.59 1.16 0.00 0.00 147 L 7.97 3.86 0.00 1.76 1.50 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.12 3.98 0.00 1.94 1.99 0.00 3.21 0.00 0.00 3.08 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 149 S 8.34 4.35 0.00 4.09 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 0.00 150 L 8.11 2.95 0.00 0.74 1.65 0.70 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.21 3.84 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 152 A 7.64 4.12 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 0.00 153 F 8.24 4.07 0.00 3.34 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 0.00 154 V 8.14 3.65 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 0.94 0.00 0.00 1.05 0.00 0.00 155 A 7.75 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.76 3.43 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 0.94 0.00 0.00 0.91 0.00 0.00 157 A 7.84 3.81 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 0.00 158 A 8.53 4.20 1.46 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 0.00 0.00 159 R 8.36 3.88 0.00 1.86 2.01 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 160 V 8.52 3.52 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 0.62 0.00 0.00 0.83 0.00 0.00 161 F 8.31 4.86 0.00 3.42 3.36 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 0.00 162 A 8.60 4.01 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 0.00 163 H 8.53 4.00 0.00 3.28 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 7.39 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 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.48 3.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.81 4.02 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 0.00 167 T 8.44 4.20 4.03 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 0.00 0.00 1.02 0.00 0.00 168 L 7.21 4.03 0.00 1.27 1.72 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 169 S 7.21 4.92 0.00 3.60 3.61 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 0.00 0.00 0.00 0.00 170 P 0.00 4.53 0.00 2.18 2.10 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.