NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.4254 8.4445 118.3641 59.2719 30.1760 174.2467 3 S 4.3983 7.5760 111.8965 57.1704 65.1257 182.0872 *4 F 4.2130 9.3553 124.4667 57.8480 38.5238 172.3734 5 E 4.4817 7.9694 115.4448 57.7390 30.3973 181.9870 6 S 4.6126 9.3994 114.7410 60.1359 65.6407 176.7403 7 L 4.0018 8.2035 122.5350 59.7227 40.5929 182.4725 8 V 3.9502 7.7296 117.1497 66.0227 31.1463 177.7546 9 D 4.3860 8.2429 121.1788 58.1442 40.9824 179.1270 10 Q 4.0279 8.0444 118.9662 58.7097 28.0700 179.4427 11 R 4.5791 7.4809 120.2498 59.7853 30.6933 178.7617 12 I 4.2703 8.1013 118.4237 63.2425 35.3032 178.9946 13 K 4.6940 8.0190 124.6536 56.4396 34.5308 183.1820 14 E 4.1473 7.9001 115.9439 60.3326 29.2226 182.4819 15 A 4.1861 7.8862 118.4078 56.0794 18.7538 179.3837 16 L 4.2593 7.7982 115.7297 57.5903 42.0422 179.4381 17 S 4.3974 8.0058 117.1872 61.8156 62.9481 176.8359 18 R 4.1279 7.4499 117.0824 56.9394 29.0107 179.1638 19 Q 3.9491 8.1070 122.8486 58.3417 29.2975 172.5297 20 E 3.8700 8.2590 121.7771 54.3230 28.6995 174.5493 21 P 4.5854 0.0000 0.0000 60.8915 32.4557 176.4569 22 K 4.3266 8.3341 120.4661 57.6048 33.0497 176.1516 23 T 4.5760 8.4822 115.6460 60.7359 71.2479 172.9636 24 I 4.3582 8.5543 129.8381 62.0711 37.8405 175.3954 25 S 4.8222 9.5826 120.1477 57.1325 66.7911 172.0529 26 C 6.1172 8.8168 117.0650 55.4569 40.7681 172.7414 27 T 4.6824 8.1765 108.4141 61.1113 71.9159 172.2457 28 S 5.1520 8.4819 118.2046 56.8736 65.0871 173.8016 29 V 4.2204 8.6111 125.2964 61.8775 33.0164 174.6285 30 T 5.1691 8.4153 123.6607 62.0167 71.4680 173.4390 31 S 4.7893 9.0625 120.6016 56.8052 67.8355 173.9384 32 S 4.6010 8.6735 118.2056 59.9894 63.4909 176.0873 33 G 3.8103 8.6710 109.7524 45.0854 0.0000 173.2953 34 R 4.4226 8.4514 116.1371 56.4596 31.4412 176.1162 35 L 5.7826 8.0474 118.1233 52.1973 45.0422 175.9375 36 A 4.6624 8.2623 122.7158 50.9923 22.6444 175.1737 37 S 5.2628 8.5460 118.1803 56.6209 66.2472 174.8887 38 C 4.5290 8.9298 122.1503 56.0211 40.0236 172.1269 39 P 4.3583 0.0000 0.0000 62.2244 31.6671 175.5619 40 A 4.0687 8.3003 122.6791 53.4479 18.6943 177.6469 41 G 3.9419 8.8174 109.2302 46.8323 0.0000 173.2484 42 M 5.0069 7.6389 116.4545 53.3061 35.8744 175.6928 43 V 4.3454 8.6254 115.5773 59.9775 34.7233 174.9934 44 V 4.4930 8.2019 122.8281 62.4231 31.6741 175.4685 45 T 4.3332 9.0519 125.3688 64.8904 70.1682 174.6803 46 G 3.9497 7.0932 106.4017 46.2847 0.0000 172.6622 47 C 5.2200 7.7311 115.4705 54.7955 42.7565 173.8148 48 A 5.0304 8.8138 121.5948 50.6187 22.3354 174.5447 49 C 4.7462 8.5910 116.0238 54.6630 39.8916 174.1878 50 G 2.8177 6.4614 108.2790 44.7423 0.0000 173.1402 51 Y 3.9220 8.5352 113.5213 58.5158 35.3928 170.8443 52 G 3.9054 8.0087 104.4930 46.6904 0.0000 174.8203 53 C 4.5673 7.9260 120.2194 55.0759 44.0211 173.0961 54 G 3.9210 8.6568 115.1275 45.4982 0.0000 172.7095 55 S 4.5475 7.7479 117.5979 57.2010 63.8686 173.1638 56 W 5.6019 7.7799 120.7330 55.8576 30.8652 173.1883 57 D 5.1301 9.2476 118.6587 52.2290 42.7832 173.9461 58 I 4.9391 8.5961 120.8033 60.0817 39.0104 175.1340 59 R 4.4837 9.3048 126.4424 55.2348 32.3937 176.3327 60 N 4.3013 9.3331 118.7282 54.3778 36.3362 174.5401 61 G 4.0037 8.4225 102.6026 45.9515 0.0000 174.7565 62 N 4.8069 7.6985 110.0452 53.5939 41.3146 173.6198 63 T 4.8953 8.3525 117.1494 61.8959 71.8542 172.7083 64 C 4.5260 8.9465 125.3730 57.3206 35.9313 172.6079 65 H 5.2130 9.1923 123.3089 54.5307 31.9547 171.9268 66 C 4.8106 9.2755 124.6625 57.0886 40.2542 173.8164 67 Q 4.2110 8.4533 121.1085 57.1690 30.1124 176.1927 68 C 4.4531 8.4505 117.5965 57.3074 41.0978 174.5451 69 S 4.1566 8.2493 119.7034 60.7617 62.0497 175.5634 70 V 4.3598 7.4275 119.2611 60.7938 33.0671 174.4822 71 M 5.0889 8.5096 125.6447 53.7194 35.6661 174.6796 72 D 4.9259 8.3629 116.5405 54.3162 43.2600 175.1891 73 W 5.8245 7.3609 113.8004 54.4970 32.1039 173.7520 74 A 5.2554 9.2825 122.1826 50.3791 22.2547 175.0389 75 S 5.2281 9.4633 114.0242 56.4571 66.5076 172.5545 76 A 4.8961 9.1715 127.3603 49.9969 22.0716 175.0529 77 R 4.5625 9.0752 123.6590 55.7321 31.4036 174.3252 78 C 5.4139 9.3801 124.8646 55.5809 43.7765 172.5526 79 C 5.7576 9.0438 120.2340 55.5609 39.9785 173.0167 80 R 4.7378 8.3983 114.7534 55.7587 32.8396 173.6152 81 M 4.5358 8.8199 120.4813 55.1819 32.8649 176.3493 82 A 4.4000 8.8444 125.5566 51.9266 19.5680 175.9623 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 C 8.44 4.43 0.00 2.98 3.07 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 3 S 7.58 4.40 0.00 3.68 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 *4 F 9.36 4.21 0.00 2.29 2.22 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 5 E 7.97 4.48 0.00 1.98 1.88 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 2.19 1.89 0.00 6 S 9.40 4.61 0.00 3.95 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 7 L 8.20 4.00 0.00 1.74 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.73 3.95 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 0.90 0.00 0.00 0.93 0.00 0.00 9 D 8.24 4.39 0.00 2.91 2.70 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 0.00 0.00 0.00 10 Q 8.04 4.03 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 11 R 7.48 4.58 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 12 I 8.10 4.27 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 1.38 0.62 0.91 0.00 0.00 13 K 8.02 4.69 0.00 1.57 1.76 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.21 7.81 14 E 7.90 4.15 0.00 2.07 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 2.24 2.20 0.00 15 A 7.89 4.19 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 16 L 7.80 4.26 0.00 1.63 1.74 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.01 4.40 0.00 4.02 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 18 R 7.45 4.13 0.00 1.80 1.87 0.00 3.26 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 19 Q 8.11 3.95 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 5.72 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 20 E 8.26 3.87 0.00 2.21 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 2.10 1.85 0.00 21 P 0.00 4.59 0.00 2.17 2.07 0.00 3.74 0.00 0.00 3.65 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 22 K 8.33 4.33 0.00 1.92 1.79 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.02 7.81 23 T 8.48 4.58 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 1.25 0.00 0.00 24 I 8.55 4.36 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.91 0.00 0.00 25 S 9.58 4.82 0.00 3.77 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 26 C 8.82 6.12 0.00 2.80 3.03 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 0.00 0.00 0.00 27 T 8.18 4.68 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 1.19 0.00 0.00 28 S 8.48 5.15 0.00 3.70 3.76 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 29 V 8.61 4.22 2.06 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 0.75 0.00 0.00 0.95 0.00 0.00 30 T 8.42 5.17 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 1.06 0.00 0.00 31 S 9.06 4.79 0.00 3.94 3.71 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 32 S 8.67 4.60 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.67 3.81 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 0.00 0.00 0.00 34 R 8.45 4.42 0.00 1.82 2.17 0.00 3.12 0.00 0.00 3.49 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 35 L 8.05 5.78 0.00 1.51 1.56 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.26 4.66 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 37 S 8.55 5.26 0.00 3.71 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 38 C 8.93 4.53 0.00 2.84 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 39 P 0.00 4.36 0.00 2.16 1.99 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 40 A 8.30 4.07 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 41 G 8.82 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 42 M 7.64 5.01 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 43 V 8.63 4.35 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 0.68 0.00 0.00 0.94 0.00 0.00 44 V 8.20 4.49 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 0.88 0.00 0.00 45 T 9.05 4.33 4.40 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 1.23 0.00 0.00 46 G 7.09 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 47 C 7.73 5.22 0.00 1.23 2.23 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 48 A 8.81 5.03 1.41 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 49 C 8.59 4.75 0.00 2.85 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 50 G 6.46 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 0.00 0.00 0.00 51 Y 8.54 3.92 0.00 3.04 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 G 8.01 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 53 C 7.93 4.57 0.00 2.88 3.03 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 0.00 0.00 0.00 54 G 8.66 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 55 S 7.75 4.55 0.00 3.77 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 56 W 7.78 5.60 0.00 3.44 2.99 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 57 D 9.25 5.13 0.00 2.82 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 58 I 8.60 4.94 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.95 0.00 0.00 59 R 9.30 4.48 0.00 1.73 1.83 0.00 3.26 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 60 N 9.33 4.30 0.00 2.97 2.87 0.00 0.00 7.19 7.98 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 61 G 8.42 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 62 N 7.70 4.81 0.00 2.78 2.98 0.00 0.00 6.80 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 63 T 8.35 4.90 4.40 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 1.23 0.00 0.00 64 C 8.95 4.53 0.00 2.92 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 65 H 9.19 5.21 0.00 3.19 3.52 0.00 5.58 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 66 C 9.28 4.81 0.00 2.79 2.93 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 67 Q 8.45 4.21 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 68 C 8.45 4.45 0.00 2.94 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 69 S 8.25 4.16 0.00 3.63 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 70 V 7.43 4.36 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 0.88 0.00 0.00 0.76 0.00 0.00 71 M 8.51 5.09 0.00 2.00 1.92 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 2.42 2.38 0.00 72 D 8.36 4.93 0.00 2.69 2.88 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 73 W 7.36 5.82 0.00 3.48 3.13 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 74 A 9.28 5.26 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 75 S 9.46 5.23 0.00 3.96 3.82 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 76 A 9.17 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 77 R 9.08 4.56 0.00 1.84 1.92 0.00 3.30 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 78 C 9.38 5.41 0.00 2.91 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 79 C 9.04 5.76 0.00 2.78 2.91 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 80 R 8.40 4.74 0.00 1.82 1.96 0.00 2.76 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 81 M 8.82 4.54 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 82 A 8.84 4.40 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 * Residues marked with a * may have inaccurate shift predictions.