NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3793 8.1233 122.4682 52.0898 21.6190 176.7366 3 T 3.8736 7.8912 110.6117 63.4235 68.9422 172.2824 4 F 4.8770 10.0300 130.6687 56.4526 42.4299 173.9514 5 Q 4.7298 7.1207 123.2569 54.4922 32.7429 174.2383 6 T 4.3812 8.5186 116.6363 61.0491 71.2489 173.3834 7 D 4.8107 8.7876 126.7958 53.9941 41.1945 175.5780 8 A 4.8170 7.5548 121.6205 49.8406 22.4636 175.8373 9 D 4.7722 8.3995 119.3110 55.2988 42.2452 175.5628 10 F 5.2175 8.2579 112.7150 56.2538 41.5626 173.2331 11 L 4.8708 8.8844 120.5343 54.0518 43.6715 175.6903 12 L 5.2034 9.1228 122.2734 53.0336 44.6687 175.7269 13 V 5.5013 7.8260 123.4700 60.3389 34.8091 174.4139 14 G 4.9468 8.2658 111.1355 46.8379 0.0000 172.8412 15 D 4.6707 9.8100 120.1335 55.1528 41.5628 176.7434 16 D 4.5351 8.4627 118.0103 53.7934 41.8827 174.0032 17 T 2.5236 7.6695 110.9114 60.5179 69.4561 177.3439 18 S 3.9879 7.3360 119.7066 62.0641 63.0033 175.6460 19 R 4.4765 7.8054 116.9631 56.3666 30.4442 176.8613 20 Y 4.1420 7.9516 115.8520 61.9244 37.3137 178.1830 21 E 4.0838 8.2379 119.3399 59.4610 29.5341 178.4028 22 E 4.0559 8.1220 117.9144 59.3098 30.1703 178.5930 23 V 3.9433 8.0446 112.3364 64.1744 31.7257 178.3877 24 M 4.4541 8.2637 118.7225 58.4989 31.6544 178.6686 25 K 4.1895 7.7345 115.9492 58.7752 32.2673 178.6631 26 T 4.1214 7.8679 109.2877 62.2373 69.3841 174.4135 27 F 4.4988 8.1566 122.4683 56.2117 39.8033 176.4625 28 D 4.4936 8.9516 126.3492 57.5728 40.9511 177.6853 29 T 4.1321 8.1670 107.3858 62.6709 69.2526 173.4639 30 V 4.4639 7.6028 123.5382 61.9268 31.7337 175.1916 31 E 4.2145 8.8503 129.4740 58.9043 29.8224 176.2668 32 A 4.7095 7.5779 118.4072 50.9488 23.2673 174.3319 33 V 4.8369 8.2044 117.9581 61.4164 34.5407 174.8108 34 R 4.6782 8.9583 125.7806 54.1733 34.0431 174.0667 35 K 4.1015 8.0862 123.2188 53.9954 33.9876 175.7457 36 S 4.1884 8.3846 122.6951 58.8482 62.4958 173.9370 37 D 4.5252 8.7778 125.2001 55.2766 41.2805 176.9185 38 L 4.2660 7.5700 119.9155 55.9159 43.0311 175.9656 39 D 4.5315 7.6504 118.0292 52.4756 43.2693 174.9542 40 D 4.4419 8.8492 127.0367 57.3014 41.5951 177.3041 41 R 4.2611 8.5155 117.5822 57.8156 31.4188 176.2843 42 V 4.8915 7.9141 120.4396 61.5348 33.2438 174.3379 43 Y 5.2423 9.4984 127.6022 57.0791 42.3446 174.8468 44 M 5.0098 9.1138 121.9523 53.3639 34.8854 175.7086 45 V 4.3928 8.8683 124.9214 60.3281 33.7800 173.9062 46 C 4.8102 8.8053 129.5168 58.4065 33.0423 172.2988 47 L 5.1550 8.8729 125.6602 52.5908 43.8767 176.6692 48 K 4.1014 9.0959 121.4619 56.4155 33.4957 176.4709 49 Q 4.0822 8.6247 124.1235 57.6132 29.2208 177.1283 50 G 3.9607 8.9291 112.8224 45.8318 0.0000 173.5731 51 S 4.4673 7.7061 115.4853 58.4627 63.6156 173.5761 52 T 4.7937 8.1173 117.5625 61.8254 71.3273 173.6042 53 F 4.6729 9.0871 130.4484 57.6956 40.6875 174.6662 54 V 4.8416 7.7308 124.7457 59.9407 34.5593 174.6867 55 L 4.4881 8.9251 124.4926 52.9159 43.1775 177.1058 56 N 4.2620 9.0110 122.9242 55.9895 38.7005 176.8230 57 G 3.6465 8.6462 105.3506 45.4456 0.0000 174.4274 58 G 4.0481 7.6799 108.0652 45.6324 0.0000 173.8808 59 I 3.4859 8.3141 117.9571 64.8013 36.7525 178.0469 60 E 3.9371 8.1967 118.5305 59.5277 29.3068 178.9127 61 E 3.9552 8.2816 119.2459 59.2446 29.7540 178.6848 62 L 4.0896 7.8557 119.8780 58.0326 42.2089 178.9478 63 R 4.0881 8.0990 118.3259 58.8322 29.6847 179.0416 64 L 4.0110 7.7414 118.3084 57.7187 41.8608 178.3949 65 L 4.1367 7.8263 117.5342 57.8492 41.7132 178.4131 66 T 4.1206 7.8875 111.5757 62.3693 67.5801 175.6861 67 G 3.8523 8.1697 108.4948 45.2203 0.0000 172.5466 68 D 4.7253 7.7803 120.1511 52.5474 41.3207 176.2392 69 S 4.5972 8.6833 120.8555 59.0643 63.3236 174.6819 70 T 4.3241 8.0033 111.0234 61.7586 69.8030 174.7258 71 L 4.0905 7.4371 123.2616 55.6254 42.5182 175.7409 72 E 4.7861 9.5806 123.9926 54.6995 34.5765 173.9875 73 I 4.9135 8.0022 120.2170 59.2910 41.2015 174.3747 74 Q 4.4874 8.9424 129.7212 53.4158 31.2188 172.5446 75 P 4.8824 0.0000 0.0000 63.4206 31.5025 177.0386 76 M 4.1333 9.3405 125.4671 57.1236 32.7278 177.9540 *77 I 3.0481 8.1386 110.2013 61.0048 32.7795 178.5282 78 V 4.3778 7.8781 124.3043 59.8597 34.2482 171.5361 79 P 4.1844 0.0000 0.0000 63.7085 30.4919 176.5091 80 T 3.7810 8.4189 118.9834 63.9988 68.5497 172.4903 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 2 A 8.12 4.38 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 3 T 7.89 3.87 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 1.21 0.00 0.00 4 F 10.03 4.88 0.00 3.12 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 5 Q 7.12 4.73 0.00 1.63 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.41 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 6 T 8.52 4.38 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 1.32 0.00 0.00 7 D 8.79 4.81 0.00 2.70 2.68 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 8 A 7.55 4.82 1.23 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 0.00 0.00 9 D 8.40 4.77 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 10 F 8.26 5.22 0.00 3.03 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 11 L 8.88 4.87 0.00 1.68 1.67 0.95 0.71 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 12 L 9.12 5.20 0.00 1.60 1.46 0.58 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 5.50 2.13 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 0.87 0.00 0.00 0.97 0.00 0.00 14 G 8.27 4.95 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 15 D 9.81 4.67 0.00 2.59 2.69 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 16 D 8.46 4.54 0.00 2.52 2.47 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 17 T 7.67 2.52 3.25 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 0.67 0.00 0.00 18 S 7.34 3.99 0.00 3.79 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 R 7.81 4.48 0.00 1.87 1.95 0.00 3.23 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 20 Y 7.95 4.14 0.00 2.44 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 21 E 8.24 4.08 0.00 2.33 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 2.49 2.55 0.00 22 E 8.12 4.06 0.00 2.05 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 0.00 2.33 2.43 0.00 23 V 8.04 3.94 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 1.00 0.00 0.00 1.10 0.00 0.00 24 M 8.26 4.45 0.00 2.11 2.26 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 2.55 2.91 0.00 25 K 7.73 4.19 0.00 1.83 1.93 0.00 1.73 0.00 0.00 2.03 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.53 7.81 26 T 7.87 4.12 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 1.26 0.00 0.00 27 F 8.16 4.50 0.00 3.54 3.26 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 28 D 8.95 4.49 0.00 2.72 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 29 T 8.17 4.13 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 1.38 0.00 0.00 30 V 7.60 4.46 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 0.82 0.00 0.00 1.03 0.00 0.00 31 E 8.85 4.21 0.00 2.05 1.94 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 2.33 2.28 0.00 32 A 7.58 4.71 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 33 V 8.20 4.84 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 1.10 0.00 0.00 0.95 0.00 0.00 34 R 8.96 4.68 0.00 1.69 1.67 0.00 3.10 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 35 K 8.09 4.10 0.00 0.79 1.27 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.03 0.80 7.81 36 S 8.38 4.19 0.00 3.87 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 37 D 8.78 4.53 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 38 L 7.57 4.27 0.00 1.60 1.66 0.91 0.91 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 39 D 7.65 4.53 0.00 2.68 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 40 D 8.85 4.44 0.00 2.65 2.69 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 41 R 8.52 4.26 0.00 1.92 2.15 0.00 3.33 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 42 V 7.91 4.89 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 1.09 0.00 0.00 0.97 0.00 0.00 43 Y 9.50 5.24 0.00 2.99 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 44 M 9.11 5.01 0.00 1.63 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 45 V 8.87 4.39 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 0.17 0.00 0.00 0.59 0.00 0.00 46 C 8.81 4.81 0.00 2.95 2.69 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 47 L 8.87 5.16 0.00 1.55 1.62 1.21 0.95 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 48 K 9.10 4.10 0.00 1.72 1.77 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.56 7.81 49 Q 8.62 4.08 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 G 8.93 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 0.00 0.00 0.00 51 S 7.71 4.47 0.00 4.11 3.89 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 52 T 8.12 4.79 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 1.19 0.00 0.00 53 F 9.09 4.67 0.00 3.36 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 54 V 7.73 4.84 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 0.78 0.00 0.00 0.89 0.00 0.00 55 L 8.93 4.49 0.00 1.63 1.70 1.06 0.38 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 56 N 9.01 4.26 0.00 2.69 2.87 0.00 0.00 7.12 7.65 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 57 G 8.65 3.65 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 0.00 0.00 0.00 58 G 7.68 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.31 3.49 1.78 0.00 0.00 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 1.20 0.31 0.79 0.00 0.00 60 E 8.20 3.94 0.00 2.22 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 2.43 0.00 61 E 8.28 3.96 0.00 2.06 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 2.40 2.36 0.00 62 L 7.86 4.09 0.00 1.77 1.67 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.10 4.09 0.00 2.07 1.97 0.00 3.15 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 64 L 7.74 4.01 0.00 1.80 1.74 0.93 1.07 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 65 L 7.83 4.14 0.00 1.73 1.81 1.13 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.89 4.12 4.34 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 1.43 0.00 0.00 67 G 8.17 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 68 D 7.78 4.73 0.00 2.96 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 69 S 8.68 4.60 0.00 4.03 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 70 T 8.00 4.32 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 1.22 0.00 0.00 71 L 7.44 4.09 0.00 1.72 1.79 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.58 4.79 0.00 1.80 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 2.39 2.36 0.00 73 I 8.00 4.91 1.42 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.93 0.03 0.00 0.00 74 Q 8.94 4.49 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 75 P 0.00 4.88 0.00 2.05 2.08 0.00 3.79 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 2.18 2.35 0.00 76 M 9.34 4.13 0.00 1.93 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 *77 I 8.14 3.05 1.87 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 1.30 0.53 0.91 0.00 0.00 78 V 7.88 4.38 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 0.90 0.00 0.00 1.00 0.00 0.00 79 P 0.00 4.18 0.00 2.08 2.04 0.00 3.89 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 2.11 0.00 80 T 8.42 3.78 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 * Residues marked with a * may have inaccurate shift predictions.