NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2702 8.3349 116.7814 56.8500 65.0548 171.3069 5 L 3.8850 8.4678 124.7461 52.6199 41.2695 172.4705 6 K 4.6612 9.1854 119.7140 57.4009 37.2892 177.3103 7 K 4.1317 8.3517 118.3103 57.9983 32.5036 176.1745 8 G 4.4065 7.7691 105.9319 43.7822 0.0000 172.4153 9 V 4.3547 8.0915 116.6795 61.4043 32.6831 175.8904 10 F 3.8936 8.4923 110.8524 57.8108 36.9159 175.2301 11 V 3.6221 7.1664 120.2411 61.0768 31.9779 175.8657 12 D 4.3830 8.4954 124.2687 54.9142 41.2366 176.5255 13 D 4.7717 8.5875 121.2916 54.9144 41.1934 177.0673 14 H 4.8942 7.7859 113.7955 55.3664 29.1879 175.1403 15 L 4.5050 7.4641 119.7800 56.7971 43.1740 178.8913 16 L 3.9564 7.8245 118.0502 57.7453 41.7716 179.1002 17 E 3.8827 8.0370 119.5503 58.6422 29.6916 178.1642 18 K 3.9608 7.9280 117.8860 57.3144 32.5997 176.7679 19 V 4.2330 7.3350 115.7097 62.6339 32.2601 175.7078 20 L 4.3330 8.1793 119.1337 56.5838 42.4504 178.1049 21 E 4.1600 7.7187 115.9321 57.3683 30.2829 177.4000 22 L 4.3666 7.5849 120.2649 55.2855 42.4443 176.4456 23 N 4.5655 7.5975 114.3345 54.9133 39.2845 175.6122 24 A 4.2717 7.0395 120.4681 51.0166 16.8370 176.9579 25 K 4.0860 8.1392 120.3211 54.6567 31.2373 175.8683 26 G 4.2237 7.8374 105.6030 45.2610 0.0000 174.9547 27 E 4.6095 7.6315 126.6366 56.1145 30.5451 177.3069 28 K 4.7711 8.2339 129.8917 56.2325 31.3164 178.2600 29 R 4.3781 8.6667 124.3784 57.5718 33.7988 172.6839 30 L 3.8853 8.1614 120.4769 55.1572 41.6663 175.2743 31 I 4.6533 8.0616 125.7204 58.9649 41.4382 173.6870 32 K 4.9692 8.7323 128.1578 54.9465 34.1311 175.3368 33 T 4.9129 8.4878 117.8414 59.9722 71.6814 173.5235 34 W 4.6115 9.1476 123.7171 56.7588 30.3931 176.5663 35 S 4.9444 7.6676 110.1215 57.9353 62.5523 175.3737 36 R 4.1815 8.1633 112.3157 57.8249 29.2843 177.1127 37 R 4.4945 7.9422 116.6266 57.1649 30.7955 176.5798 38 S 4.5247 7.7753 112.9934 57.3643 65.3594 173.7331 39 T 4.2339 7.3000 116.6524 63.0341 69.4736 174.6414 40 I 4.0166 7.7587 125.3330 60.8640 37.9414 176.0413 41 V 3.8767 8.1896 126.7602 61.0316 32.6127 173.9020 42 P 4.2424 0.0000 0.0000 63.9328 31.8498 176.5136 43 E 4.0441 8.8407 119.1612 57.1739 29.4648 175.5765 44 M 4.4246 7.6523 115.4588 55.7335 31.9466 176.3952 45 V 3.5234 7.0158 113.7683 63.2204 32.2038 174.4255 46 G 4.0117 8.2265 113.1979 46.2004 0.0000 173.5151 47 H 4.3201 7.2047 117.7887 55.2109 26.2398 174.6024 48 T 3.8880 8.2824 115.7861 61.6436 69.8463 173.2549 49 I 4.5983 8.2077 127.4295 59.3203 39.1039 175.0855 50 A 5.0863 8.6887 129.8809 50.8371 19.8442 176.2607 51 V 4.7049 8.3382 121.5721 61.0991 35.3541 173.4735 52 Y 5.0361 8.1356 126.3671 55.7083 39.0093 174.9342 53 N 4.6330 8.3566 123.3530 52.0488 38.2506 174.6846 54 G 3.9269 7.0095 108.5054 45.6994 0.0000 174.4378 55 K 4.2765 7.4681 118.4737 57.2317 34.2613 175.1113 56 Q 4.3562 6.7697 114.9609 55.5210 31.9218 171.4150 57 H 5.1083 8.7924 116.4940 54.7029 30.9169 174.7010 58 V 4.1054 8.5249 118.7155 58.7039 32.4594 176.6565 59 P 4.7349 0.0000 0.0000 61.9170 30.5122 177.5678 60 V 3.6911 7.6948 118.7374 62.8329 31.8246 175.3004 61 Y 4.2664 8.5763 126.1056 57.6434 40.0737 174.7227 62 I 4.2978 6.7040 122.6714 59.3096 41.1822 173.9109 63 T 5.0408 8.1246 122.6497 59.6695 70.8559 174.2542 64 E 3.9774 8.9486 122.1557 58.9444 29.7978 177.9512 65 N 4.3606 8.3990 116.8876 55.6373 38.6859 174.5900 66 M 4.6555 7.9395 115.9338 53.6346 31.6711 174.2939 67 V 4.1982 7.8751 122.5636 63.9627 34.0046 177.3140 68 G 3.5036 7.9435 110.2245 48.1502 0.0000 173.4221 69 H 4.5215 7.5956 117.2378 55.6238 29.2995 175.4381 70 K 4.6834 8.3343 121.1228 55.0158 33.2379 176.9138 71 L 4.4613 8.5123 117.6806 55.5477 41.6199 178.0326 72 G 4.0034 7.9318 108.0001 46.8217 0.0000 175.3409 73 E 4.0095 8.4008 118.6706 58.9356 29.5276 177.2510 74 F 4.5716 8.1846 115.5447 56.9255 39.4367 176.0438 75 A 4.3868 7.7621 124.7152 49.7202 19.9646 174.8965 76 P 4.2489 0.0000 0.0000 64.3453 31.4652 176.9093 77 T 4.1613 8.5061 113.4351 62.6051 69.6412 174.9819 78 R 4.6430 7.7427 119.6870 54.1822 32.9735 174.8786 79 T 4.3332 8.1574 111.4515 62.2272 69.9185 174.4943 80 Y 4.3084 8.7054 130.2124 57.8358 37.2521 169.6250 81 R 3.8186 7.7720 117.5490 56.1120 31.1126 177.5498 *82 G 3.7274 8.5697 109.9742 45.8896 0.0000 172.4716 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 4 S 8.33 4.27 0.00 3.86 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 5 L 8.47 3.88 0.00 1.88 1.89 1.02 0.40 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 6 K 9.19 4.66 0.00 1.81 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.40 7.81 7 K 8.35 4.13 0.00 1.77 1.92 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 8 G 7.77 4.41 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 0.00 0.00 0.00 9 V 8.09 4.35 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 0.91 0.00 0.00 0.93 0.00 0.00 10 F 8.49 3.89 0.00 3.28 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 11 V 7.17 3.62 1.79 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 0.60 0.00 0.00 0.84 0.00 0.00 12 D 8.50 4.38 0.00 2.59 2.30 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 13 D 8.59 4.77 0.00 2.70 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 14 H 7.79 4.89 0.00 3.26 3.40 0.00 5.50 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.46 4.50 0.00 1.83 1.68 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.82 3.96 0.00 1.72 1.68 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.04 3.88 0.00 2.04 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 2.31 2.24 0.00 18 K 7.93 3.96 0.00 1.87 1.81 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 19 V 7.34 4.23 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 0.70 0.00 0.00 0.92 0.00 0.00 20 L 8.18 4.33 0.00 1.89 1.67 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.72 4.16 0.00 2.21 2.27 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 2.47 2.22 0.00 22 L 7.58 4.37 0.00 1.72 1.50 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.60 4.57 0.00 2.84 2.97 0.00 0.00 7.08 7.84 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 24 A 7.04 4.27 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 25 K 8.14 4.09 0.00 2.05 2.19 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.40 7.81 26 G 7.84 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.63 4.61 0.00 1.96 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 2.32 2.40 0.00 28 K 8.23 4.77 0.00 1.76 1.11 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.67 4.38 0.00 1.93 2.07 0.00 3.14 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 30 L 8.16 3.89 0.00 1.63 1.72 0.93 0.89 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 31 I 8.06 4.65 1.89 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 1.23 1.32 0.97 0.00 0.00 32 K 8.73 4.97 0.00 1.55 1.22 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.31 7.81 33 T 8.49 4.91 4.31 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 1.25 0.00 0.00 34 W 9.15 4.61 0.00 3.38 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 35 S 7.67 4.94 0.00 4.05 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 0.00 36 R 8.16 4.18 0.00 2.01 2.14 0.00 3.39 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 37 R 7.94 4.49 0.00 2.10 2.19 0.00 3.33 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 38 S 7.78 4.52 0.00 3.70 4.14 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 39 T 7.30 4.23 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 1.18 0.00 0.00 40 I 7.76 4.02 2.10 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 1.04 0.63 0.81 0.00 0.00 41 V 8.19 3.88 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 0.76 0.00 0.00 0.85 0.00 0.00 42 P 0.00 4.24 0.00 2.19 1.96 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 43 E 8.84 4.04 0.00 2.17 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 2.24 2.30 0.00 44 M 7.65 4.42 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 45 V 7.02 3.52 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 0.59 0.00 0.00 0.94 0.00 0.00 46 G 8.23 4.01 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 0.00 0.00 0.00 47 H 7.20 4.32 0.00 3.21 3.22 0.00 5.66 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 48 T 8.28 3.89 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 1.36 0.00 0.00 49 I 8.21 4.60 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.89 0.00 0.00 50 A 8.69 5.09 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 51 V 8.34 4.70 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 1.08 0.00 0.00 1.03 0.00 0.00 52 Y 8.14 5.04 0.00 2.23 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.36 4.63 0.00 2.85 2.81 0.00 0.00 6.43 7.00 0.00 0.00 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 G 7.01 3.93 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 0.00 55 K 7.47 4.28 0.00 1.57 1.62 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.38 7.81 56 Q 6.77 4.36 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.63 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 57 H 8.79 5.11 0.00 3.02 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.52 4.11 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 0.71 0.00 0.00 0.98 0.00 0.00 59 P 0.00 4.73 0.00 2.20 2.15 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 60 V 7.69 3.69 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 0.81 0.00 0.00 1.02 0.00 0.00 61 Y 8.58 4.27 0.00 2.95 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 62 I 6.70 4.30 1.60 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.95 0.63 0.00 0.00 63 T 8.12 5.04 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 1.36 0.00 0.00 64 E 8.95 3.98 0.00 2.11 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 0.00 2.29 2.35 0.00 65 N 8.40 4.36 0.00 2.76 3.00 0.00 0.00 6.80 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 66 M 7.94 4.66 0.00 2.08 1.75 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 2.13 2.53 0.00 67 V 7.88 4.20 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 0.98 0.00 0.00 0.95 0.00 0.00 68 G 7.94 3.50 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 0.00 69 H 7.60 4.52 0.00 3.72 3.59 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.33 4.68 0.00 1.88 2.05 0.00 2.13 0.00 0.00 0.61 0.00 0.00 3.33 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.54 7.81 71 L 8.51 4.46 0.00 1.83 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.93 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 0.00 0.00 0.00 73 E 8.40 4.01 0.00 1.85 1.63 0.00 0.00 0.00 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 2.39 0.00 74 F 8.18 4.57 0.00 3.00 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 75 A 7.76 4.39 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 76 P 0.00 4.25 0.00 2.16 2.08 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 1.96 1.95 0.00 77 T 8.51 4.16 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 78 R 7.74 4.64 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 79 T 8.16 4.33 4.28 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 1.22 0.00 0.00 80 Y 8.71 4.31 0.00 2.91 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 3.82 0.00 1.77 1.79 0.00 3.47 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 *82 G 8.57 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.