NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.3146 8.1701 110.9436 61.6289 70.2308 171.8102 7 A 4.7685 8.2855 121.8753 49.1836 22.2486 172.3537 8 E 4.9209 9.0169 120.7078 54.7808 32.9762 173.6294 9 V 4.4761 8.1936 120.8892 61.9825 35.9814 172.8208 10 I 4.4367 8.1560 124.2935 60.2963 38.1827 175.6778 11 L 4.6145 8.5415 126.1828 54.3965 44.4435 176.6750 12 G 3.7724 10.9922 114.8438 45.8897 0.0000 173.3860 13 G 3.9840 7.9174 105.3681 45.0193 0.0000 174.2967 14 K 4.4929 8.1205 119.8112 54.2720 35.2578 176.0715 15 V 4.3060 8.3454 123.1663 62.2269 30.4918 174.4997 16 I 4.5366 8.0927 121.0707 58.8249 40.0956 174.3781 17 K 4.6387 8.5844 125.8294 55.0620 33.9430 174.8891 18 L 5.0241 8.3427 125.6726 53.6280 45.8291 175.3294 19 G 4.2090 8.9193 106.8109 45.2286 0.0000 171.7867 20 G 3.7503 8.8177 110.1303 46.0471 0.0000 174.4487 21 Y 4.5439 7.8945 116.6482 56.4034 39.3120 175.5622 22 E 4.0742 8.8570 118.6713 58.9715 30.1057 176.8757 23 S 4.8628 7.6823 114.0236 54.7954 65.7738 174.1945 24 E 3.9887 8.7690 124.4855 59.4526 29.0900 179.0013 25 E 3.9978 8.6889 118.1994 59.4489 29.8423 178.4912 26 Y 4.2056 7.9568 119.0428 60.6295 39.0919 176.9909 27 L 3.6973 7.7399 121.3556 58.4401 42.2138 178.8753 28 Q 3.9792 8.1576 117.6851 58.9902 28.5654 179.3534 29 R 3.8217 7.7691 118.9747 59.1318 30.1263 179.0093 30 V 3.4820 7.3481 117.2307 66.0741 31.4060 177.6345 31 A 3.9500 7.8398 120.2711 55.2775 18.1797 179.6059 32 S 4.0488 8.0037 111.1925 61.4252 62.2627 175.1673 33 Y 4.2108 7.8753 121.2888 61.2441 38.7264 177.9154 34 I 3.4278 7.8992 119.9742 64.6866 37.3397 177.8278 35 N 4.2593 8.5066 117.0632 56.8233 38.5118 177.3170 36 N 4.6091 8.7620 117.3695 55.6403 38.5389 177.3718 37 K 3.8590 7.8650 121.5401 59.0888 32.0959 178.8562 38 I 3.9048 7.4825 119.7317 64.1718 37.0328 177.8696 39 T 3.8775 8.0855 116.1962 66.9429 68.5635 175.8813 40 E 3.9740 8.0896 119.8868 59.5600 29.5626 179.2808 41 F 3.7031 7.7719 117.4904 60.7247 38.7637 176.8827 42 N 4.8024 7.5836 112.7846 54.2805 38.9733 175.8525 43 K 4.5093 7.9868 117.9876 56.6546 32.7353 176.1691 44 E 4.4440 7.9726 120.9562 54.7837 29.8209 176.0452 45 E 3.9069 9.0677 125.7971 59.7696 29.2664 178.6566 46 S 4.0877 8.1018 111.0897 61.6397 62.4829 175.1198 47 Y 4.1561 7.9181 120.8506 60.7379 38.7941 177.4015 48 R 4.0691 8.1511 118.1799 58.8346 30.8981 178.7444 49 R 4.1613 7.9531 119.3682 54.9062 28.8089 176.0411 *51 S 4.1255 7.3002 112.5198 57.6425 64.8157 174.7828 52 A 3.5746 8.2211 122.2572 55.0506 17.9028 179.6197 53 E 3.7458 7.9618 117.5399 59.3623 29.5643 178.7353 54 L 3.8538 7.1574 117.6421 58.1213 42.2516 178.5277 55 R 3.4565 8.0580 117.6419 59.5195 29.9406 178.8940 56 T 3.8527 7.8711 114.8283 65.6552 69.9464 175.8426 57 D 4.4772 7.9121 122.9914 54.8212 37.7689 176.1853 *60 Y 4.9857 7.7583 120.3127 57.9865 40.5793 177.9050 61 L 4.1205 7.9914 119.4821 57.7325 41.4035 179.0672 62 N 4.6514 8.3067 116.6383 56.3061 39.0143 176.4615 63 I 4.1925 7.9138 120.0906 63.1642 37.6001 177.7804 64 A 4.3052 8.1821 122.1691 55.0452 18.0903 179.1930 65 D 4.2380 8.8046 117.0305 57.5021 41.3386 177.8351 66 D 4.4915 7.9252 119.4139 57.8253 40.7141 178.1744 67 Y 4.3933 8.1091 118.1146 61.0735 38.9935 178.1411 68 F 3.7092 8.7678 118.6104 60.3246 38.7713 177.5974 69 K 3.8965 8.4408 118.1100 59.6133 31.8055 178.9935 70 A 4.0775 7.7296 118.3579 53.8760 18.6213 178.3956 71 K 4.1748 7.9455 118.4904 57.8739 32.8615 178.8546 72 K 3.8449 7.3027 114.4803 57.9175 30.9814 177.8527 *74 A 4.3454 7.8344 121.1203 52.2957 20.5022 178.3906 75 D 4.7382 7.7726 116.3305 55.9557 41.4472 178.9297 76 S 4.1976 7.8222 115.7035 61.1666 62.3479 176.6318 77 L 3.9803 7.8235 121.5905 57.5090 41.3818 178.6147 78 S 4.1432 7.1307 112.3905 61.5186 62.4452 175.9430 79 L 4.1342 7.7593 121.8046 58.1492 42.1833 178.1597 80 D 4.3855 8.5106 119.1293 57.7284 40.6569 178.8739 81 I 3.9906 8.9596 119.9808 63.3639 37.3454 178.0325 82 E 4.0014 8.2706 120.0595 58.7997 29.1840 178.4515 83 N 4.5110 7.9664 115.7983 55.4687 38.7779 177.4264 84 K 4.1594 7.9515 119.1423 58.9537 31.9051 178.8430 85 D 4.3711 7.8315 119.0441 57.0479 41.3180 178.2843 86 K 4.0810 8.0288 118.6042 58.8826 31.9812 178.6299 87 E 3.9582 8.4672 120.1788 59.6575 29.3373 179.2384 88 I 3.7749 7.5467 118.8895 64.3663 37.2389 177.6152 89 Y 4.0835 7.8274 120.4568 60.9062 38.6199 177.5547 90 D 4.3744 8.0563 119.2867 57.8037 40.6837 179.3927 91 L 3.9839 7.6131 119.0170 57.7603 41.5303 179.7396 92 K 4.0303 8.4014 118.4083 59.0283 31.7112 178.9399 93 H 4.1872 7.5316 115.6274 58.0217 29.4076 177.2077 94 E 4.0754 8.3397 119.3155 58.9516 28.9674 178.8833 95 L 4.0130 7.6467 121.3686 57.8558 42.2846 178.6669 96 I 3.7689 7.5267 119.1500 63.7610 36.8750 178.1427 97 A 4.0858 7.7115 121.5665 54.8988 18.2297 179.5074 98 A 3.9526 7.8572 118.9362 55.2599 18.1495 179.4972 99 Q 3.9858 7.8617 116.7791 58.8513 29.1381 178.1211 100 I 4.0029 7.3592 119.3624 63.1852 37.0919 177.6689 101 K 4.2600 8.3589 121.1872 57.7667 32.0262 178.7065 102 A 4.2739 8.5455 121.8338 54.8979 18.4318 179.0311 103 E 3.8537 7.9164 116.8516 59.0738 29.3452 178.8456 104 S 4.4273 7.5781 112.4546 60.3504 63.4521 176.3013 105 S 4.0566 9.2085 117.1330 61.2976 62.0612 175.9980 106 A 4.1827 8.3050 123.1862 54.3811 17.9792 179.6292 107 K 3.8416 7.5297 116.1217 59.7110 32.1742 178.6012 108 E 3.9354 8.0008 118.8909 59.6365 29.5369 179.1404 109 I 3.6682 7.2881 117.9767 64.3761 36.8445 178.1501 110 K 3.8597 8.3185 120.7368 59.6507 31.9191 178.2138 111 E 4.1626 7.9583 117.9550 58.3851 29.7093 178.6986 112 L 4.0561 8.0931 119.1056 57.3099 41.5196 179.6624 113 K 3.9935 7.8134 118.5334 59.4115 32.1559 179.2736 114 S 4.0446 7.6753 112.9953 61.2117 62.1554 176.1012 115 E 3.6067 8.2644 121.3683 59.3861 29.2449 179.2593 116 I 3.8385 7.7898 119.7705 64.4403 37.2243 178.1073 117 N 4.2747 8.1918 117.2260 56.4938 38.3477 177.5576 118 K 4.0678 7.6909 118.4448 58.8197 32.0004 178.9671 119 Y 4.4549 7.4105 117.3525 60.8597 37.9362 177.7614 120 Q 3.8819 8.2714 119.1374 58.5294 28.3662 178.1519 121 K 4.3321 7.9532 117.1275 57.0533 32.3811 178.4075 122 N 4.2463 7.8007 118.5870 56.4120 39.1402 176.6469 123 I 3.6794 8.3833 121.8959 64.5443 37.2862 178.4122 124 V 3.8996 7.7389 120.1271 65.2490 31.4055 177.8466 125 K 3.9019 7.5757 118.8135 59.5175 32.0656 178.6767 126 L 3.9713 8.2631 119.4482 57.9937 41.4560 179.1500 127 E 3.9708 8.6129 118.7894 59.9514 29.3274 179.7101 128 T 3.8803 7.9680 115.4357 66.5732 68.5465 176.1543 129 E 3.9236 8.0053 120.6286 59.3459 29.4281 178.9912 130 L 3.9876 7.6967 117.6164 57.9934 41.8443 178.9880 131 N 4.4676 8.6783 115.5024 55.9898 38.4327 176.9665 132 D 4.5082 8.2894 119.9674 56.6415 41.3997 176.6579 133 S 4.3948 8.3254 118.7661 58.5645 63.0896 173.9988 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 6 T 8.17 4.31 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 1.24 0.00 0.00 7 A 8.29 4.77 1.28 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 0.00 0.00 8 E 9.02 4.92 0.00 1.94 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 2.16 2.26 0.00 9 V 8.19 4.48 2.04 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 0.85 0.00 0.00 0.90 0.00 0.00 10 I 8.16 4.44 1.86 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 1.29 0.67 0.90 0.00 0.00 11 L 8.54 4.61 0.00 1.63 1.44 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 12 G 10.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.92 3.98 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 0.00 14 K 8.12 4.49 0.00 1.80 1.66 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.33 7.81 15 V 8.35 4.31 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 0.82 0.00 0.00 0.93 0.00 0.00 16 I 8.09 4.54 1.88 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 1.11 1.03 0.96 0.00 0.00 17 K 8.58 4.64 0.00 1.78 1.74 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.46 7.81 18 L 8.34 5.02 0.00 1.57 1.70 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.82 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 0.00 0.00 0.00 21 Y 7.89 4.54 0.00 2.99 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 22 E 8.86 4.07 0.00 2.06 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 2.24 2.10 0.00 23 S 7.68 4.86 0.00 3.88 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 24 E 8.77 3.99 0.00 2.10 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 2.56 2.42 0.00 25 E 8.69 4.00 0.00 2.00 2.04 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 2.37 2.35 0.00 26 Y 7.96 4.21 0.00 3.05 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 27 L 7.74 3.70 0.00 1.70 1.78 0.35 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.16 3.98 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 29 R 7.77 3.82 0.00 1.87 1.74 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 30 V 7.35 3.48 1.92 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 1.01 0.00 0.00 0.41 0.00 0.00 31 A 7.84 3.95 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 32 S 8.00 4.05 0.00 4.06 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 33 Y 7.88 4.21 0.00 2.90 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 34 I 7.90 3.43 2.01 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 1.46 1.02 0.87 0.00 0.00 35 N 8.51 4.26 0.00 2.81 2.86 0.00 0.00 7.16 6.59 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 36 N 8.76 4.61 0.00 2.78 2.82 0.00 0.00 6.72 7.10 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 37 K 7.87 3.86 0.00 1.73 1.73 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.60 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.26 7.81 38 I 7.48 3.90 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.74 0.92 0.00 0.00 39 T 8.09 3.88 4.37 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 1.18 0.00 0.00 40 E 8.09 3.97 0.00 1.88 1.76 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 2.36 2.38 0.00 41 F 7.77 3.70 0.00 2.70 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 42 N 7.58 4.80 0.00 2.87 2.85 0.00 0.00 7.28 6.62 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 43 K 7.99 4.51 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.66 7.81 44 E 7.97 4.44 0.00 2.33 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 2.27 2.39 0.00 45 E 9.07 3.91 0.00 2.09 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 2.40 2.49 0.00 46 S 8.10 4.09 0.00 3.94 4.11 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 0.00 0.00 0.00 47 Y 7.92 4.16 0.00 3.11 3.34 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 48 R 8.15 4.07 0.00 2.00 2.00 0.00 3.25 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 49 R 7.95 4.16 0.00 1.74 1.90 0.00 3.19 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 *51 S 7.30 4.13 0.00 3.95 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 52 A 8.22 3.57 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 53 E 7.96 3.75 0.00 1.99 1.89 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 2.34 2.33 0.00 54 L 7.16 3.85 0.00 1.67 1.54 0.84 0.92 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 55 R 8.06 3.46 0.00 1.60 1.61 0.00 2.68 0.00 0.00 2.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 56 T 7.87 3.85 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 0.57 0.00 0.00 57 D 7.91 4.48 0.00 2.70 2.62 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 0.00 0.00 0.00 0.00 *60 Y 7.76 4.99 0.00 3.22 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 61 L 7.99 4.12 0.00 1.80 1.76 1.02 0.57 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 62 N 8.31 4.65 0.00 3.02 3.00 0.00 0.00 7.20 7.82 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 63 I 7.91 4.19 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 1.22 0.00 0.00 64 A 8.18 4.31 1.48 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 65 D 8.80 4.24 0.00 2.79 2.79 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 66 D 7.93 4.49 0.00 3.14 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 67 Y 8.11 4.39 0.00 3.06 3.45 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 68 F 8.77 3.71 0.00 3.12 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 69 K 8.44 3.90 0.00 1.83 1.90 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.53 1.83 7.81 70 A 7.73 4.08 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 71 K 7.95 4.17 0.00 1.54 1.44 0.00 1.11 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.16 0.95 7.81 72 K 7.30 3.84 0.00 2.00 2.00 0.00 1.41 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 1.58 1.45 7.81 *74 A 7.83 4.35 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 75 D 7.77 4.74 0.00 3.03 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 76 S 7.82 4.20 0.00 3.81 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 77 L 7.82 3.98 0.00 1.68 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.13 4.14 0.00 4.00 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 79 L 7.76 4.13 0.00 1.81 1.62 0.91 1.20 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 80 D 8.51 4.39 0.00 2.81 2.72 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 81 I 8.96 3.99 2.05 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 1.52 0.66 0.90 0.00 0.00 82 E 8.27 4.00 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 83 N 7.97 4.51 0.00 2.76 2.85 0.00 0.00 7.18 8.28 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 84 K 7.95 4.16 0.00 1.84 1.87 0.00 1.93 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 85 D 7.83 4.37 0.00 3.07 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 86 K 8.03 4.08 0.00 1.98 1.86 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.57 7.81 87 E 8.47 3.96 0.00 2.23 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 2.33 2.39 0.00 88 I 7.55 3.77 2.06 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 1.43 0.37 0.98 0.00 0.00 89 Y 7.83 4.08 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.06 4.37 0.00 2.86 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 91 L 7.61 3.98 0.00 1.96 1.71 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.40 4.03 0.00 1.87 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.60 7.81 93 H 7.53 4.19 0.00 3.07 3.21 0.00 5.85 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 94 E 8.34 4.08 0.00 2.17 2.34 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 2.27 2.30 0.00 95 L 7.65 4.01 0.00 1.83 1.80 0.91 0.85 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 96 I 7.53 3.77 1.93 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 1.62 0.71 0.84 0.00 0.00 97 A 7.71 4.09 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 98 A 7.86 3.95 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 99 Q 7.86 3.99 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 100 I 7.36 4.00 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.90 0.00 0.00 101 K 8.36 4.26 0.00 1.87 2.01 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.34 7.81 102 A 8.55 4.27 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 0.00 103 E 7.92 3.85 0.00 2.05 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 2.30 2.46 0.00 104 S 7.58 4.43 0.00 4.14 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 0.00 105 S 9.21 4.06 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.18 1.35 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 0.00 0.00 107 K 7.53 3.84 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.56 7.81 108 E 8.00 3.94 0.00 2.07 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 2.39 0.00 109 I 7.29 3.67 2.04 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 1.41 0.98 0.91 0.00 0.00 110 K 8.32 3.86 0.00 1.90 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 111 E 7.96 4.16 0.00 1.99 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 2.28 2.47 0.00 112 L 8.09 4.06 0.00 1.81 1.74 0.94 0.73 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 0.00 113 K 7.81 3.99 0.00 2.08 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 114 S 7.68 4.04 0.00 3.86 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 0.00 115 E 8.26 3.61 0.00 2.20 1.92 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 2.23 2.54 0.00 116 I 7.79 3.84 2.07 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 1.62 0.88 0.94 0.00 0.00 117 N 8.19 4.27 0.00 2.93 2.82 0.00 0.00 7.05 6.45 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 0.00 118 K 7.69 4.07 0.00 1.45 1.70 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.52 7.81 119 Y 7.41 4.45 0.00 2.99 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 0.00 120 Q 8.27 3.88 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 121 K 7.95 4.33 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.43 7.81 122 N 7.80 4.25 0.00 3.07 2.93 0.00 0.00 7.08 8.13 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 0.00 123 I 8.38 3.68 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.97 0.00 0.00 124 V 7.74 3.90 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 1.27 0.00 0.00 0.99 0.00 0.00 125 K 7.58 3.90 0.00 1.73 2.08 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.64 7.81 126 L 8.26 3.97 0.00 1.85 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.61 3.97 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 2.34 2.49 0.00 128 T 7.97 3.88 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 1.21 0.00 0.00 129 E 8.01 3.92 0.00 2.06 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 2.31 2.36 0.00 130 L 7.70 3.99 0.00 1.82 1.71 0.92 1.12 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 0.00 131 N 8.68 4.47 0.00 2.88 2.89 0.00 0.00 7.12 8.70 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 0.00 132 D 8.29 4.51 0.00 2.74 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 0.00 133 S 8.33 4.39 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.