NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2375 8.1593 115.2475 62.1643 67.8310 171.9212 4 T 4.4276 8.1291 116.7501 58.0603 71.9095 175.4017 5 F 4.2677 9.7968 124.1859 61.9584 40.3333 177.4793 6 T 3.8701 8.1591 115.1654 66.7502 68.7345 175.3626 7 E 4.0363 8.2593 120.7435 59.5138 29.6984 179.9553 8 L 3.7216 8.0580 117.4391 55.9725 41.5683 178.3986 *10 Q 4.3117 8.1927 117.7881 55.7110 30.8974 177.7033 11 Q 3.9709 8.1309 116.7330 58.9061 28.6882 177.9489 12 L 3.7659 8.1542 121.6283 58.4731 41.5998 178.7198 13 F 3.7437 8.2685 116.5668 61.2484 38.8804 177.1075 14 L 3.8812 7.7106 116.8131 58.5839 41.2243 179.6083 15 K 3.8016 8.1774 118.9428 59.4434 32.3261 178.5249 16 L 4.3841 7.7737 116.3328 53.7119 41.9851 177.1775 17 G 3.9154 7.7794 106.7187 46.2981 0.0000 173.7814 18 L 4.4846 7.2126 118.4882 52.7281 42.6209 175.8620 19 N 4.4031 7.1833 117.2579 55.4459 38.9549 175.3884 20 H 5.0937 6.5803 115.3092 54.3030 34.0506 172.6596 21 Q 4.1811 8.8864 118.1721 57.1406 29.7585 177.1207 22 V 5.2035 8.0667 121.3323 60.3861 34.2163 174.4887 23 N 4.6467 8.5454 123.0585 51.7089 38.8188 175.0886 24 E 4.0982 8.4494 115.9917 57.7611 29.6390 177.1519 25 N 4.5381 8.0613 116.3016 53.1156 39.2450 174.1142 26 D 4.4020 8.0524 115.7119 56.1036 39.0083 173.1989 27 V 4.6002 8.3196 119.6021 61.7818 33.4638 173.9584 28 Y 5.1872 9.5250 125.9068 56.8288 40.3294 174.7482 29 T 5.2676 9.0819 120.1296 61.7816 71.6895 173.6090 30 F 5.0393 8.0805 119.7712 55.3718 41.6316 173.5544 31 E 4.8113 8.8415 120.9753 55.8247 30.9879 175.8049 32 V 4.3795 8.8758 122.8904 62.3232 34.7696 175.3920 33 D 4.2700 9.8957 125.0687 53.9224 38.5424 173.7786 34 G 4.0820 7.9764 106.8671 47.5049 0.0000 174.6096 35 H 4.7437 8.0702 116.1477 55.8050 31.5050 174.2680 36 I 4.4478 7.5376 119.4748 59.7083 39.2083 174.7958 37 Q 4.8754 8.5011 126.6365 54.2617 31.8741 174.1299 38 V 4.5949 8.2432 126.0222 61.0330 34.5008 174.0509 39 L 5.2318 8.9935 127.0932 53.1130 44.8592 175.4931 40 I 5.3599 9.2093 122.7557 59.7966 41.3365 174.3577 41 A 4.9380 9.0089 126.6887 50.6407 23.3268 174.1104 42 C 4.7558 7.4183 118.5735 57.5388 33.8955 172.6925 43 Y 4.6332 8.9455 123.6731 56.9976 41.0769 175.4877 44 H 4.2249 9.5192 117.2271 57.0265 26.6138 175.6523 45 Q 3.5318 8.5313 113.3836 56.7441 26.5549 173.7720 46 Q 4.2226 7.8424 117.4276 56.3556 34.5927 173.9165 47 W 5.0335 8.7285 120.5986 55.0166 30.5232 175.8888 48 V 4.3589 8.9188 126.9669 62.4631 32.5151 174.5299 49 Q 5.3571 9.5439 129.3483 54.4661 32.0827 173.9501 50 L 5.1399 9.2381 126.2799 53.3392 44.7124 175.2545 51 F 5.5870 8.7584 122.5598 57.4807 43.4455 172.9246 52 S 4.6934 8.5713 119.2150 56.5496 66.1720 172.8656 53 E 4.1748 8.4139 125.6222 56.5681 29.3895 176.5981 54 L 4.1825 8.6985 123.3128 54.7074 43.6886 176.2722 55 G 3.6874 8.1277 103.3414 44.0024 0.0000 172.2955 56 A 4.6118 8.3665 120.9071 52.3312 20.4395 177.5127 57 D 4.6926 8.6527 117.1584 54.9273 37.8980 174.8077 58 L 4.1889 7.0840 119.3799 53.5255 42.1944 175.5013 59 P 4.4320 0.0000 0.0000 62.6219 32.0742 176.2592 60 T 4.0957 8.1088 115.8531 63.4166 69.1091 173.6724 61 N 4.9828 8.1865 122.2630 51.5288 41.1648 174.7025 62 D 4.3114 8.6786 124.0449 55.5970 41.5251 175.9886 63 N 4.0301 8.5073 115.8172 54.1237 36.2546 173.7560 64 L 4.3761 7.2354 116.2813 52.8717 43.9660 177.1550 65 F 4.1600 7.4653 115.9612 56.7249 38.7277 175.6616 66 G 4.0445 7.8733 108.9538 45.3954 0.0000 174.4181 67 E 4.0546 7.4867 119.1347 57.9970 30.1317 175.8425 68 H 4.8207 7.2608 113.5608 53.5322 32.7825 172.1353 69 W 4.7255 8.5597 121.6187 54.0922 30.8810 174.0254 70 P 4.6002 0.0000 0.0000 61.6641 31.7540 175.9366 71 A 4.0647 8.0662 120.8714 52.1567 18.7521 176.4793 72 H 5.1416 8.4680 117.1186 54.1909 30.7390 174.1287 73 V 4.0379 8.1041 124.2872 60.9474 33.5456 174.1931 74 Q 4.7402 9.1318 129.9933 54.9351 29.9233 174.7966 75 G 4.4278 8.9750 114.3543 44.6356 0.0000 171.1995 76 R 5.2531 8.5367 117.8836 54.1869 33.0060 175.7241 77 L 4.6011 8.7665 125.6251 54.3644 44.7243 175.8123 78 D 4.2729 9.8950 125.7529 55.5700 38.2516 174.6834 79 G 3.9508 9.0715 104.6390 45.3751 0.0000 173.4528 80 K 4.7611 7.9074 117.9154 54.7377 37.2910 175.2187 81 S 5.3033 8.6521 117.4408 57.5306 64.9189 173.7538 82 I 4.9713 8.6601 115.7297 59.0545 41.5955 173.5803 83 L 5.3014 8.7327 124.5785 53.1421 45.1544 175.1161 84 W 6.0768 8.8944 121.3472 55.8888 32.4461 173.2939 85 S 5.4802 9.1604 113.3257 57.7282 65.6316 173.1752 86 Q 5.8301 9.1194 122.9020 55.5526 31.8687 173.3113 87 Q 4.8303 9.1551 116.8005 55.2095 32.3184 173.6900 88 S 3.9979 8.4442 114.9369 57.9385 63.0919 174.1632 89 L 4.0669 8.7092 128.7022 57.3329 42.1944 177.2331 90 V 3.6151 7.1478 118.9412 64.0388 31.4823 175.9048 91 G 3.8480 8.8077 114.4721 45.7468 0.0000 172.4156 92 L 4.2737 8.0272 122.4205 53.8002 42.6693 175.6097 93 D 5.0336 8.2595 124.4893 51.0042 42.3060 175.8627 94 I 3.8481 8.2616 118.6923 64.1974 38.4952 176.6043 95 D 4.5400 8.3993 119.8816 57.5616 40.8531 179.2262 96 E 4.3720 8.2314 119.6543 56.3165 29.2407 178.3880 *98 Q 4.1509 8.3252 119.3728 55.6543 31.0304 176.6826 99 A 4.0632 8.2341 119.5492 54.7936 18.3033 179.3166 100 W 4.4312 8.6927 127.2395 60.8121 30.8541 177.9223 101 L 3.8467 8.0336 119.6874 58.0849 41.4794 178.4472 102 E 4.0105 8.5047 118.6867 59.6482 29.4722 179.6107 103 R 4.0279 8.4688 118.2098 59.1586 30.0735 178.8997 104 F 4.0005 8.7953 120.7802 61.4165 39.3421 177.0646 105 I 3.5806 8.3125 119.7994 64.5822 36.9387 177.9331 106 D 4.2784 8.3472 118.8259 57.2344 40.9426 177.8408 107 D 4.2529 8.1190 118.6206 57.2483 41.2456 178.0748 108 I 3.4381 7.6146 120.6296 64.4004 36.8598 178.0641 109 E 3.8865 7.9460 117.9038 59.7482 29.5157 179.3130 110 Q 4.1135 8.0489 117.8317 59.0171 28.5366 179.0270 111 R 3.9707 8.1301 118.4592 58.5753 30.1609 178.4795 112 K 4.1761 7.7682 116.6698 56.8011 32.7780 177.2599 113 E 4.2239 7.1765 119.6545 55.1430 30.0147 176.2511 114 P 4.3067 0.0000 0.0000 65.6971 31.5523 177.9320 115 Q 4.0688 8.0483 117.1380 58.3125 28.9798 176.4837 116 N 4.6393 7.7676 118.5631 52.2492 37.1364 174.1887 117 T 4.3817 7.4987 112.1905 59.8512 70.7574 176.6757 118 K 3.5679 8.5758 123.9043 59.6024 32.2647 178.1871 119 F 4.2376 7.7507 116.6219 59.5008 39.0660 175.7183 120 Q 4.9574 7.5284 127.7622 56.1830 31.9301 172.2891 121 P 4.4542 0.0000 0.0000 63.2272 32.1907 175.8845 122 N 4.6371 8.6085 114.6816 53.8712 38.2275 174.5786 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 T 8.16 4.24 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 4 T 8.13 4.43 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 1.30 0.00 0.00 5 F 9.80 4.27 0.00 2.95 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 6 T 8.16 3.87 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 1.25 0.00 0.00 7 E 8.26 4.04 0.00 2.30 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 2.32 2.25 0.00 8 L 8.06 3.72 0.00 1.78 1.65 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *10 Q 8.19 4.31 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 11 Q 8.13 3.97 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 12 L 8.15 3.77 0.00 1.65 1.44 0.76 0.60 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 13 F 8.27 3.74 0.00 3.13 3.23 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 0.00 14 L 7.71 3.88 0.00 1.95 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.18 3.80 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 16 L 7.77 4.38 0.00 1.39 1.54 0.46 0.86 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 17 G 7.78 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 18 L 7.21 4.48 0.00 1.60 1.65 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.18 4.40 0.00 2.68 2.78 0.00 0.00 6.71 8.16 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 20 H 6.58 5.09 0.00 4.08 3.76 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.89 4.18 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 22 V 8.07 5.20 0.81 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 0.40 0.00 0.00 0.18 0.00 0.00 23 N 8.55 4.65 0.00 2.93 2.97 0.00 0.00 6.28 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 24 E 8.45 4.10 0.00 1.96 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 2.21 0.00 25 N 8.06 4.54 0.00 2.64 2.99 0.00 0.00 7.09 8.47 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 26 D 8.05 4.40 0.00 2.90 2.98 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 27 V 8.32 4.60 2.19 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 1.10 0.00 0.00 1.00 0.00 0.00 28 Y 9.53 5.19 0.00 3.37 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 29 T 9.08 5.27 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 1.23 0.00 0.00 30 F 8.08 5.04 0.00 3.25 3.31 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 31 E 8.84 4.81 0.00 1.90 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 2.22 2.23 0.00 32 V 8.88 4.38 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 1.05 0.00 0.00 1.04 0.00 0.00 33 D 9.90 4.27 0.00 2.92 2.94 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 34 G 7.98 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 0.00 0.00 0.00 35 H 8.07 4.74 0.00 3.28 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.54 4.45 1.87 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 1.23 0.84 0.84 0.00 0.00 37 Q 8.50 4.88 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 38 V 8.24 4.59 1.14 0.00 0.00 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 0.98 0.00 0.00 39 L 8.99 5.23 0.00 1.78 1.61 0.97 0.72 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 40 I 9.21 5.36 2.20 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 1.22 0.00 0.00 41 A 9.01 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.42 4.76 0.00 1.23 1.60 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 43 Y 8.95 4.63 0.00 3.09 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 44 H 9.52 4.22 0.00 3.67 3.51 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.53 3.53 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 46 Q 7.84 4.22 0.00 2.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 47 W 8.73 5.03 0.00 3.61 3.32 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 48 V 8.92 4.36 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 1.25 0.00 0.00 1.11 0.00 0.00 49 Q 9.54 5.36 0.00 2.47 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 50 L 9.24 5.14 0.00 0.61 0.50 -0.78 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.76 5.59 0.00 3.23 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 52 S 8.57 4.69 0.00 3.86 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 53 E 8.41 4.17 0.00 1.83 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 2.34 2.38 0.00 54 L 8.70 4.18 0.00 1.55 1.61 0.84 1.10 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 55 G 8.13 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 56 A 8.37 4.61 1.24 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 0.00 0.00 0.00 57 D 8.65 4.69 0.00 2.82 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 58 L 7.08 4.19 0.00 1.61 1.54 0.96 0.95 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 59 P 0.00 4.43 0.00 2.26 2.16 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.23 0.00 60 T 8.11 4.10 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 1.19 0.00 0.00 61 N 8.19 4.98 0.00 2.72 2.60 0.00 0.00 7.06 8.47 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 62 D 8.68 4.31 0.00 2.62 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 63 N 8.51 4.03 0.00 2.76 2.80 0.00 0.00 6.93 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 64 L 7.24 4.38 0.00 1.33 1.00 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.47 4.16 0.00 2.89 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 66 G 7.87 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 67 E 7.49 4.05 0.00 1.76 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 1.82 2.13 0.00 68 H 7.26 4.82 0.00 3.03 2.99 0.00 5.80 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.56 4.73 0.00 3.28 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.60 0.00 2.28 2.08 0.00 3.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.23 0.00 71 A 8.07 4.06 1.09 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 72 H 8.47 5.14 0.00 2.94 3.20 0.00 5.70 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 73 V 8.10 4.04 0.67 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 0.62 0.00 0.00 0.18 0.00 0.00 74 Q 9.13 4.74 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.45 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 75 G 8.97 4.43 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 0.00 76 R 8.54 5.25 0.00 1.70 1.85 0.00 3.16 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 77 L 8.77 4.60 0.00 1.75 1.58 0.94 1.36 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 78 D 9.90 4.27 0.00 2.90 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 79 G 9.07 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 80 K 7.91 4.76 0.00 1.71 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 81 S 8.65 5.30 0.00 3.88 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 82 I 8.66 4.97 1.79 0.00 0.00 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 1.35 0.97 1.01 0.00 0.00 83 L 8.73 5.30 0.00 1.49 1.20 0.81 0.39 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 84 W 8.89 6.08 0.00 3.65 3.29 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 85 S 9.16 5.48 0.00 4.16 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 86 Q 9.12 5.83 0.00 2.49 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.51 0.00 0.00 0.00 0.00 0.00 2.67 2.69 0.00 87 Q 9.16 4.83 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.02 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 88 S 8.44 4.00 0.00 3.04 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 89 L 8.71 4.07 0.00 1.77 1.60 1.07 0.93 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 90 V 7.15 3.62 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 0.74 0.00 0.00 0.80 0.00 0.00 91 G 8.81 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 0.00 0.00 0.00 92 L 8.03 4.27 0.00 1.77 1.73 0.99 1.63 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 93 D 8.26 5.03 0.00 2.79 2.64 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 0.00 0.00 0.00 0.00 94 I 8.26 3.85 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.91 0.00 0.00 95 D 8.40 4.54 0.00 3.04 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 96 E 8.23 4.37 0.00 2.17 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 2.30 2.31 0.00 *98 Q 8.33 4.15 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 99 A 8.23 4.06 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 0.00 100 W 8.69 4.43 0.00 3.45 3.29 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 0.00 101 L 8.03 3.85 0.00 1.68 1.72 1.16 0.54 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 0.00 102 E 8.50 4.01 0.00 2.27 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 2.35 2.48 0.00 103 R 8.47 4.03 0.00 2.30 2.22 0.00 3.32 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.04 0.00 104 F 8.80 4.00 0.00 2.92 3.09 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 0.00 105 I 8.31 3.58 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.92 0.00 0.00 106 D 8.35 4.28 0.00 2.81 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 0.00 107 D 8.12 4.25 0.00 2.93 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 0.00 108 I 7.61 3.44 1.75 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.31 0.73 0.00 0.00 109 E 7.95 3.89 0.00 2.13 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 2.32 2.42 0.00 110 Q 8.05 4.11 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 111 R 8.13 3.97 0.00 1.65 1.91 0.00 3.03 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 112 K 7.77 4.18 0.00 1.81 1.80 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.48 7.81 113 E 7.18 4.22 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 2.52 2.37 0.00 114 P 0.00 4.31 0.00 2.18 2.19 0.00 3.76 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 1.98 1.98 0.00 115 Q 8.05 4.07 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.45 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 116 N 7.77 4.64 0.00 2.77 2.93 0.00 0.00 7.19 7.23 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 0.00 117 T 7.50 4.38 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 1.37 0.00 0.00 118 K 8.58 3.57 0.00 1.67 1.42 0.00 1.57 0.00 0.00 1.28 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.06 1.29 7.81 119 F 7.75 4.24 0.00 3.10 3.12 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 0.00 120 Q 7.53 4.96 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 121 P 0.00 4.45 0.00 2.19 2.11 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 122 N 8.61 4.64 0.00 2.97 2.94 0.00 0.00 6.73 7.56 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 * Residues marked with a * may have inaccurate shift predictions.