NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 D 4.6706 8.3649 119.5554 52.7883 42.3512 176.3112 -2 P 4.2191 0.0000 0.0000 64.3560 31.3897 176.6391 *-1 F 4.7640 7.7456 115.5176 54.6842 41.7586 176.1571 0 T 4.3781 8.2071 115.9600 59.4758 70.5968 173.0797 *-1 L 4.4840 7.6056 117.0176 52.0842 44.5586 177.9571 0 H 4.7581 8.4771 120.5600 52.6758 29.7968 172.4798 4 I 4.2909 8.4669 123.5437 58.9646 40.4669 173.6372 5 E 4.6022 8.5351 130.5724 55.4320 30.7773 174.9203 6 F 5.3082 8.9248 125.6555 56.1286 42.7785 174.5267 7 I 4.8962 8.7204 121.7873 59.9379 39.7546 176.6185 8 T 3.4926 7.8957 117.7121 59.8113 70.4603 175.0348 9 D 4.4288 8.4734 119.8167 55.9121 39.4149 176.9228 10 L 4.4195 7.7846 118.0720 54.0437 41.7224 177.4630 11 G 3.8029 7.9471 105.9688 45.5915 0.0000 174.5611 12 A 4.0534 7.3733 121.6499 51.7535 19.8390 176.9317 13 K 4.5628 8.3918 121.9503 55.1833 33.2343 176.2370 14 V 4.3548 8.4412 127.9769 61.6048 34.6973 173.9455 15 T 4.9843 8.6629 124.8868 62.3439 70.1402 174.2169 16 V 4.4109 8.4480 126.4532 60.9525 33.5969 174.7283 17 D 4.9207 8.8483 128.0336 54.5694 41.5956 175.9352 18 V 4.4137 7.9828 121.2749 61.1328 33.8382 175.1843 19 E 4.0659 9.2420 128.6712 58.8433 30.1371 176.3166 20 S 4.5303 7.7170 110.1556 56.0918 65.3062 176.6534 21 A 3.9863 8.4970 123.7722 55.7364 17.6965 179.6484 22 D 4.4868 8.1334 114.8772 55.3314 39.8439 177.5056 23 K 4.4436 8.0087 119.1608 56.0518 32.5707 177.6997 24 L 3.9603 7.7608 122.3753 58.3693 42.0486 178.8631 25 L 4.0323 7.9230 118.3650 57.7628 41.5067 179.0324 26 D 4.3502 8.1079 118.4866 57.5103 40.9226 178.9463 27 V 3.7408 7.7740 118.1484 65.8933 31.5142 177.9116 28 Q 4.3723 8.5719 118.2863 59.4038 28.7371 179.2911 29 R 3.9289 8.3360 119.1235 59.1527 29.8423 178.8285 30 Q 3.7265 7.9635 118.2969 59.6415 29.4262 177.9284 31 Y 3.5174 7.8599 117.3084 60.2758 37.7581 178.3535 32 G 3.8362 8.4623 109.6134 48.5858 0.0000 176.5772 33 R 4.0718 7.7033 121.6247 60.5315 29.4137 180.2074 34 L 4.5956 7.4986 115.1556 54.8848 41.9192 177.5150 35 G 4.0679 8.0469 107.6352 44.9232 0.0000 173.7453 36 W 4.8556 8.1306 120.1863 56.6144 30.3541 175.4130 37 T 4.9813 8.9556 113.4934 60.0194 72.1148 172.6664 38 S 4.8365 7.9714 116.1000 56.6338 64.8433 175.0209 39 G 3.8951 8.8827 117.0033 44.8111 0.0000 171.7546 40 E 4.7177 8.3019 117.0279 53.9716 32.1991 176.0643 41 V 3.0707 8.1215 121.6848 61.9157 32.1215 174.2405 42 P 4.2355 0.0000 0.0000 61.9523 31.8305 176.2635 43 V 3.6380 8.1744 116.2898 63.3193 31.7650 176.7907 44 G 3.7669 8.5885 112.7883 44.8032 0.0000 174.2377 45 G 3.9245 8.1005 104.0194 46.1480 0.0000 172.9291 46 Y 3.9993 8.5193 116.7639 58.0430 39.0919 175.6947 47 Q 4.6342 8.0865 121.0668 54.2761 31.1040 174.8534 48 F 5.2109 8.0241 121.4445 54.6253 43.3072 173.3473 49 P 4.9357 0.0000 0.0000 62.3535 31.6072 177.7566 50 L 4.1641 9.1470 123.8798 58.5390 41.7519 179.5580 51 E 4.0989 8.1499 117.0046 59.1816 29.3092 178.3526 52 N 4.5825 8.1291 115.4105 54.9348 38.3423 176.8000 53 E 3.8408 7.6650 120.2590 58.8576 29.8529 176.5410 54 P 4.5940 0.0000 0.0000 64.4100 32.7006 176.4471 55 D 4.7820 7.7044 116.4747 51.3514 39.4230 173.2842 56 F 4.3667 7.9892 126.5076 57.1046 41.5506 175.2252 57 D 4.4314 6.6066 127.0014 52.5277 39.8874 176.9221 58 W 4.5666 8.5294 126.7164 58.4877 29.7835 178.6369 59 S 4.4194 8.2332 113.3993 60.2155 62.9231 176.2427 60 L 4.0235 7.6872 121.3338 57.0881 41.3613 177.8729 61 I 4.5587 7.8466 108.8231 60.2008 38.0939 175.2177 62 G 3.9111 8.4184 106.9706 47.0159 0.0000 173.5638 63 A 5.2273 8.3966 121.7376 50.4330 22.3648 177.5063 64 R 4.8389 8.7177 122.1799 55.3218 33.7552 175.9159 65 K 4.4700 8.7190 125.6123 54.7573 32.8340 176.1246 66 W 4.9399 8.4727 133.3257 56.2604 33.3990 173.4291 67 T 4.5387 7.9533 118.6394 60.2195 69.1151 174.7469 68 N 4.0256 8.5605 123.9028 51.1078 38.2677 174.2894 69 P 4.4779 0.0000 0.0000 66.3787 31.2448 178.0545 70 E 3.9728 7.9471 113.2491 56.8484 29.7399 181.7527 71 G 3.8999 9.2291 105.8582 46.0340 0.0000 173.5753 72 E 3.9876 9.4688 124.6746 56.4698 30.2422 175.7351 73 E 4.7518 8.3498 122.5545 54.8552 32.3843 174.7538 *75 I 3.9013 8.1150 123.2185 60.5815 39.1294 174.3268 76 L 5.6391 8.7607 127.5113 52.8961 42.4142 175.7778 77 H 4.4696 8.6274 122.8039 55.3093 31.2283 172.6076 78 R 3.7364 9.3084 130.0111 57.3868 27.7667 176.6764 79 G 3.9404 8.5603 101.3960 46.1513 0.0000 172.0327 80 H 4.8535 7.8919 113.9338 53.6003 32.8781 172.0957 81 A 5.2364 8.0390 122.1406 50.7605 21.6794 174.9761 82 Y 4.9277 8.7985 119.9261 56.9138 41.9568 175.7805 83 R 4.7715 8.4121 120.2442 54.7347 33.6545 176.0405 84 R 4.1341 8.8969 125.9211 57.0008 31.5449 176.7985 85 R 4.4082 8.0013 120.1560 56.2019 34.3913 175.1834 86 E 4.8116 9.1154 128.7817 55.6940 31.2572 175.5267 87 L 4.4470 8.1943 121.7760 54.4687 44.4909 172.6316 88 E 4.4823 8.3334 112.0943 56.1929 32.7349 176.2233 *90 V 3.9529 8.3812 120.0543 61.0849 32.7956 175.2012 91 D 4.9933 8.2883 122.7457 52.6306 44.5644 172.8206 92 S 4.6705 8.6495 112.8547 58.6192 65.8303 173.6324 93 R 5.2223 8.8827 126.3058 55.0868 33.6808 170.7030 94 K 5.2588 9.4192 123.4595 53.1693 34.2160 176.0579 *96 K 4.0386 8.5958 125.5687 57.0653 34.4782 175.5340 97 L 4.2727 8.2187 120.8559 53.1175 41.6553 175.7900 98 P 4.3441 0.0000 0.0000 61.6736 32.1636 176.2120 99 A 4.5815 8.2419 125.5501 50.0712 21.3647 177.2032 100 A 3.8518 8.5938 123.5066 55.8384 18.4959 179.4272 101 V 3.7737 7.1270 114.0247 62.0078 32.0637 180.2271 102 K 4.4305 9.9013 125.1354 54.9768 30.9518 172.4525 *103 Y 4.8539 8.0976 116.4580 54.6480 40.6132 176.9083 104 S 5.8929 8.6539 131.1115 59.1618 62.3032 176.5161 *107 A 4.2125 7.4773 126.2913 52.6907 19.3113 176.6894 108 K 4.7612 8.4256 123.5694 53.5245 34.9653 175.7107 109 N 5.3157 8.6559 122.8452 50.4751 40.3283 175.6525 110 T 3.8582 8.3634 121.2502 67.0352 69.3505 174.5271 111 D 5.2944 7.9714 119.1737 53.1356 44.1695 173.8130 112 P 5.3104 0.0000 0.0000 61.7871 34.4787 173.3004 113 E 4.7160 9.4005 127.5267 56.5630 30.5998 176.0928 *114 H 4.7267 8.9546 126.2812 57.9854 30.9949 170.1522 115 V 3.7386 9.7386 122.9307 60.1042 33.9033 168.9950 116 R 3.9205 8.5653 117.5764 58.1207 27.4950 171.2937 117 E 4.7453 8.4546 108.7626 55.5105 32.8786 172.1696 118 K 4.4111 8.7444 121.9623 54.5921 31.4117 176.4862 119 A 4.1316 8.3667 129.5549 52.3230 20.0638 175.5811 120 D 4.9722 7.8867 124.2182 53.2084 39.8033 180.6503 121 G 3.0811 9.6552 107.9687 47.8848 0.0000 174.4288 122 E 3.7260 8.1645 120.1053 59.3407 29.3656 177.7124 123 F 4.5948 8.8430 118.4774 58.3936 39.3988 175.6913 124 E 4.9878 7.6053 121.1581 54.3336 32.0311 181.4283 *125 Y 4.0736 8.1740 119.5137 58.4574 37.8291 177.1006 126 V 4.1103 8.2176 116.2916 60.6880 32.3362 175.9647 127 T 4.6441 8.3947 117.1256 60.9949 71.6771 173.4551 128 L 4.4257 8.0827 121.2854 53.6087 44.7810 174.6887 129 A 4.3974 8.4164 120.1542 53.0922 19.2052 176.7309 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 -3 D 8.36 4.67 0.00 2.71 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 -2 P 0.00 4.22 0.00 2.11 2.17 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 *-1 F 7.75 4.76 0.00 2.24 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 0.00 0.00 0.00 0 T 8.21 4.38 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 *-1 L 7.61 4.48 0.00 0.72 0.60 0.92 0.75 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 0 H 8.48 4.76 0.00 3.35 3.01 0.00 7.80 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.47 4.29 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.97 0.89 0.00 0.00 5 E 8.54 4.60 0.00 2.03 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 6 F 8.92 5.31 0.00 3.15 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 7 I 8.72 4.90 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.04 0.89 0.00 0.00 8 T 7.90 3.49 3.62 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 -0.76 0.00 0.00 9 D 8.47 4.43 0.00 2.87 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 10 L 7.78 4.42 0.00 1.58 1.67 0.93 0.90 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 11 G 7.95 3.80 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 0.00 0.00 0.00 12 A 7.37 4.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.39 4.56 0.00 1.73 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 14 V 8.44 4.35 1.72 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 0.98 0.00 0.00 0.79 0.00 0.00 15 T 8.66 4.98 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 16 V 8.45 4.41 2.20 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 1.03 0.00 0.00 0.69 0.00 0.00 17 D 8.85 4.92 0.00 2.64 2.59 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 18 V 7.98 4.41 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 0.84 0.00 0.00 1.00 0.00 0.00 19 E 9.24 4.07 0.00 1.97 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 2.29 2.30 0.00 20 S 7.72 4.53 0.00 3.97 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 21 A 8.50 3.99 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 22 D 8.13 4.49 0.00 2.83 2.81 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 23 K 8.01 4.44 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.41 7.81 24 L 7.76 3.96 0.00 1.80 1.76 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.92 4.03 0.00 1.73 1.71 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.11 4.35 0.00 2.88 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 27 V 7.77 3.74 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 1.38 0.00 0.00 1.05 0.00 0.00 28 Q 8.57 4.37 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 29 R 8.34 3.93 0.00 1.95 1.95 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 30 Q 7.96 3.73 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 1.64 2.07 0.00 31 Y 7.86 3.52 0.00 2.36 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 0.00 0.00 0.00 32 G 8.46 3.84 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 0.00 0.00 0.00 33 R 7.70 4.07 0.00 1.96 1.87 0.00 3.26 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 34 L 7.50 4.60 0.00 1.34 1.62 0.33 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.05 4.07 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 0.00 0.00 0.00 0.00 36 W 8.13 4.86 0.00 2.97 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 37 T 8.96 4.98 4.44 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 1.33 0.00 0.00 38 S 7.97 4.84 0.00 3.52 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 39 G 8.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.30 4.72 0.00 1.91 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 2.21 2.19 0.00 41 V 8.12 3.07 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 0.35 0.00 0.00 0.92 0.00 0.00 42 P 0.00 4.24 0.00 2.01 1.81 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 43 V 8.17 3.64 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 0.64 0.00 0.00 0.89 0.00 0.00 44 G 8.59 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 45 G 8.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.52 4.00 0.00 2.36 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 0.00 0.00 0.00 47 Q 8.09 4.63 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 48 F 8.02 5.21 0.00 2.82 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 49 P 0.00 4.94 0.00 2.41 2.20 0.00 3.88 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 50 L 9.15 4.16 0.00 1.84 1.70 0.99 0.98 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 51 E 8.15 4.10 0.00 2.01 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 2.34 2.43 0.00 52 N 8.13 4.58 0.00 3.09 2.95 0.00 0.00 6.50 8.61 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 53 E 7.67 3.84 0.00 2.02 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 2.40 2.56 0.00 54 P 0.00 4.59 0.00 2.09 2.15 0.00 3.80 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 2.06 2.19 0.00 55 D 7.70 4.78 0.00 2.59 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 56 F 7.99 4.37 0.00 2.75 2.37 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 57 D 6.61 4.43 0.00 2.45 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 0.00 0.00 0.00 58 W 8.53 4.57 0.00 3.55 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 59 S 8.23 4.42 0.00 3.99 4.17 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 60 L 7.69 4.02 0.00 1.45 1.66 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.85 4.56 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 0.42 0.00 0.00 62 G 8.42 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 63 A 8.40 5.23 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 4.84 0.00 1.50 1.74 0.00 3.27 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 65 K 8.72 4.47 0.00 1.54 1.62 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 66 W 8.47 4.94 0.00 3.19 3.11 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 67 T 7.95 4.54 4.07 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 1.11 0.00 0.00 68 N 8.56 4.03 0.00 2.84 2.83 0.00 0.00 6.34 7.28 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 69 P 0.00 4.48 0.00 2.15 2.18 0.00 3.60 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 70 E 7.95 3.97 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 2.23 1.88 0.00 71 G 9.23 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.47 3.99 0.00 1.86 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 2.29 2.23 0.00 73 E 8.35 4.75 0.00 1.77 1.69 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 2.14 1.88 0.00 *75 I 8.11 3.90 1.59 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 0.05 0.00 0.00 76 L 8.76 5.64 0.00 1.59 1.57 0.58 0.89 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 77 H 8.63 4.47 0.00 3.18 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.31 3.74 0.00 1.84 1.95 0.00 3.35 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 79 G 8.56 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 0.00 0.00 0.00 80 H 7.89 4.85 0.00 3.51 3.01 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.04 5.24 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 82 Y 8.80 4.93 0.00 2.76 2.85 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 83 R 8.41 4.77 0.00 1.44 1.72 0.00 3.25 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 84 R 8.90 4.13 0.00 1.86 1.89 0.00 3.30 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 85 R 8.00 4.41 0.00 1.55 1.72 0.00 3.31 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 86 E 9.12 4.81 0.00 1.98 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 2.30 2.39 0.00 87 L 8.19 4.45 0.00 1.66 1.36 0.92 0.69 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 88 E 8.33 4.48 0.00 1.93 1.71 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 2.11 1.87 0.00 *90 V 8.38 3.95 2.10 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 0.83 0.00 0.00 0.94 0.00 0.00 91 D 8.29 4.99 0.00 2.39 2.37 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 92 S 8.65 4.67 0.00 3.93 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 93 R 8.88 5.22 0.00 1.52 1.70 0.00 3.30 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 94 K 9.42 5.26 0.00 1.71 1.81 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.54 1.72 7.81 *96 K 8.60 4.04 0.00 1.56 1.45 0.00 1.35 0.00 0.00 1.22 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.38 7.81 97 L 8.22 4.27 0.00 1.69 1.49 0.92 0.86 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 98 P 0.00 4.34 0.00 2.03 2.02 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 99 A 8.24 4.58 1.25 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 0.00 0.00 100 A 8.59 3.85 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 0.00 101 V 7.13 3.77 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 0.70 0.00 0.00 0.93 0.00 0.00 102 K 9.90 4.43 0.00 1.90 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.21 0.97 7.81 *103 Y 8.10 4.85 0.00 2.26 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 0.00 0.00 0.00 104 S 8.65 5.89 0.00 4.07 4.07 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 0.00 *107 A 7.48 4.21 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 0.00 108 K 8.43 4.76 0.00 1.47 1.55 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.23 7.81 109 N 8.66 5.32 0.00 2.83 3.00 0.00 0.00 6.22 7.22 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 0.00 110 T 8.36 3.86 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 111 D 7.97 5.29 0.00 2.32 2.46 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 0.00 112 P 0.00 5.31 0.00 2.04 2.14 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 113 E 9.40 4.72 0.00 1.98 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 2.25 2.37 0.00 *114 H 8.95 4.73 0.00 2.67 2.83 0.00 7.19 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 0.00 115 V 9.74 3.74 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 0.61 0.00 0.00 0.93 0.00 0.00 116 R 8.57 3.92 0.00 2.00 1.91 0.00 3.17 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 117 E 8.45 4.75 0.00 1.94 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 0.00 2.11 1.81 0.00 118 K 8.74 4.41 0.00 1.74 1.81 0.00 1.59 0.00 0.00 2.38 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 119 A 8.37 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.89 4.97 0.00 2.62 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.66 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 0.00 0.00 0.00 122 E 8.16 3.73 0.00 1.59 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 2.14 2.19 0.00 123 F 8.84 4.59 0.00 2.86 2.59 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 0.00 124 E 7.61 4.99 0.00 1.74 1.71 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 2.17 1.95 0.00 *125 Y 8.17 4.07 0.00 2.09 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 0.00 0.00 0.00 0.00 126 V 8.22 4.11 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 0.81 0.00 0.00 0.90 0.00 0.00 127 T 8.39 4.64 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 1.20 0.00 0.00 128 L 8.08 4.43 0.00 1.65 1.42 0.92 0.70 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 0.00 129 A 8.42 4.40 1.21 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 * Residues marked with a * may have inaccurate shift predictions.