NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4099 8.2649 122.4679 51.8751 19.4088 175.8607 3 T 4.1325 8.4234 117.7576 63.4180 69.5552 172.8361 4 F 4.8409 9.8344 129.4023 56.5900 42.0434 174.0225 5 Q 4.8675 7.3024 123.5023 54.6554 32.7823 174.2289 6 T 4.3352 8.2938 113.9946 61.7009 71.0991 173.4364 7 D 5.0048 8.9879 125.4812 54.0394 42.2328 176.2582 8 A 4.5416 7.4694 122.4666 50.7878 20.1584 176.8921 9 D 4.7914 8.3415 120.3094 54.7373 42.4923 175.1253 10 F 5.3615 8.0922 113.6672 55.8197 41.7633 173.2721 11 L 5.0232 9.0057 120.2672 53.8825 43.6220 175.6127 12 L 5.1403 9.0232 122.6656 52.9896 44.7874 175.7002 13 V 5.4341 8.1261 122.8723 60.4075 34.9359 174.6380 14 G 4.7083 8.5205 112.7506 47.5685 0.0000 172.0791 15 D 4.6467 8.9596 118.4884 55.5930 41.9176 176.6716 16 D 4.5923 7.9532 120.1907 53.0417 39.6204 175.6276 17 T 2.4800 7.5898 110.4381 61.0714 69.8461 177.9023 18 S 3.9731 7.1420 119.0508 61.7865 62.8818 175.7473 19 R 4.6742 7.8067 116.1494 56.2281 31.1980 177.4050 20 Y 4.2158 8.2259 117.7997 61.4069 37.7054 178.4729 21 E 4.0844 8.3134 118.6346 59.5370 29.4821 179.2124 22 E 4.0425 8.1414 115.5692 59.7114 29.8679 179.1004 23 V 3.9177 8.3102 113.5376 63.9578 31.6424 178.5083 24 M 4.3869 8.2015 118.8261 58.2773 31.5673 178.7697 25 K 4.2567 7.9641 117.6884 59.0341 32.3043 178.7686 26 T 4.1679 7.5662 108.5124 62.0134 69.0118 174.0979 27 F 4.5290 7.9452 122.7077 56.1697 39.9265 176.6186 28 D 4.5191 8.8897 126.3108 57.4672 41.1035 177.7482 29 T 4.2540 8.1040 108.8165 63.7760 70.3864 174.8450 30 V 4.1885 7.7442 123.2649 62.7956 31.2930 175.6622 31 E 4.2580 9.4282 130.4642 59.1759 30.2127 176.1676 32 A 4.5626 7.4750 117.9589 51.2785 22.8595 175.4062 33 V 4.7223 8.2896 118.3847 61.4718 34.5879 174.6439 34 R 4.6509 8.9646 126.8701 54.0616 33.3882 174.8536 35 K 3.4500 8.3633 125.3037 55.4715 32.9133 176.4397 36 S 4.3263 8.9569 123.3096 58.5415 62.6551 173.7147 37 D 4.5775 8.6814 124.1004 53.7955 40.3382 177.1680 38 L 4.1651 7.7629 121.8593 56.7443 42.7417 176.1122 39 D 4.6954 7.6349 117.8256 52.2951 43.4012 175.2693 40 D 4.5354 8.8853 125.9162 56.1148 41.0611 177.0879 41 R 4.4738 8.5864 118.5832 56.3486 30.9951 175.5958 42 V 5.0885 7.8621 119.4389 61.2897 33.8297 174.0272 43 Y 5.2459 9.5506 127.4099 57.0871 42.1513 174.8007 44 M 5.0045 9.2176 122.2484 53.3481 34.8864 175.3232 45 V 4.3442 8.6969 124.0265 60.2788 34.0873 173.7171 46 C 4.9694 8.6875 129.2271 58.2495 33.0258 172.1164 47 L 5.0382 8.9062 126.6925 52.8709 43.2319 176.8328 48 K 4.0922 9.1142 122.7520 56.3344 33.5159 176.3618 49 Q 4.1145 8.7419 123.5310 57.7585 29.2567 176.5227 50 G 3.9790 8.8352 112.7269 46.7842 0.0000 173.0063 51 S 4.8100 7.9065 114.3176 56.4801 65.2360 173.7859 52 T 4.7842 8.3788 120.7989 61.7286 70.6493 173.5700 53 F 4.5720 9.2660 130.0961 57.7961 40.7630 174.5771 54 V 4.8144 7.8577 118.6292 59.5201 35.0601 175.0271 55 L 4.4859 8.9551 126.0993 52.9713 42.7045 177.0278 56 N 4.2666 9.0456 122.8164 56.1942 38.6556 176.7000 57 G 3.7478 9.5662 105.4639 45.0818 0.0000 174.5815 58 G 4.1528 7.7275 109.0380 45.4731 0.0000 174.1967 59 I 3.4800 8.1829 117.8511 64.5135 36.6643 178.0766 60 E 3.9259 8.2475 118.8589 59.5773 29.2154 178.9029 61 E 3.9495 8.2590 119.2372 59.2327 29.6819 178.6827 62 L 4.0730 8.0468 120.4122 57.9802 42.0294 179.1183 63 R 3.9613 7.8917 117.8335 58.9300 29.8113 178.8521 64 L 3.9914 7.8254 118.1448 57.8840 41.7702 179.2065 65 L 4.1509 7.9048 117.6539 57.7808 41.6280 178.8927 66 T 4.3114 8.1511 111.6793 61.9079 67.4762 174.9888 67 G 3.8140 8.1854 108.2552 46.4859 0.0000 173.1177 68 D 4.7623 7.8388 119.6228 51.5904 42.1799 176.2338 69 S 4.2481 8.7656 122.4165 60.6579 63.0723 175.3716 70 T 4.2741 8.1221 109.8035 61.5264 69.4489 174.6041 71 L 4.1758 7.3480 123.7976 55.9359 42.4222 175.8913 72 E 4.7552 9.7559 125.5577 54.4475 33.8007 173.6070 73 I 4.8819 8.0767 122.6621 59.1790 41.2970 174.6906 74 Q 4.4171 9.1600 129.1519 53.6302 31.4223 172.4941 75 P 4.8914 0.0000 0.0000 63.1170 31.7250 176.4060 76 M 4.1358 9.2408 125.2023 56.7420 33.1976 174.5476 *77 I 3.1383 8.0235 120.9613 59.4585 34.7596 175.4358 78 V 4.4098 8.0424 124.0281 58.9980 34.1095 173.1562 79 P 4.1809 0.0000 0.0000 65.7582 30.5574 176.5578 80 T 3.5962 8.4586 119.0347 63.6045 67.7315 172.2323 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 8.26 4.41 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 3 T 8.42 4.13 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 1.19 0.00 0.00 4 F 9.83 4.84 0.00 3.15 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 5 Q 7.30 4.87 0.00 1.70 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.48 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 6 T 8.29 4.34 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 1.39 0.00 0.00 7 D 8.99 5.00 0.00 2.70 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 8 A 7.47 4.54 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 9 D 8.34 4.79 0.00 2.58 2.61 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 0.00 0.00 0.00 0.00 10 F 8.09 5.36 0.00 3.16 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 L 9.01 5.02 0.00 1.67 1.67 0.95 0.94 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 12 L 9.02 5.14 0.00 1.55 1.31 0.42 0.39 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 8.13 5.43 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 0.88 0.00 0.00 0.99 0.00 0.00 14 G 8.52 4.71 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 0.00 0.00 0.00 15 D 8.96 4.65 0.00 2.65 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 16 D 7.95 4.59 0.00 2.63 2.54 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 17 T 7.59 2.48 3.37 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 0.83 0.00 0.00 18 S 7.14 3.97 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 19 R 7.81 4.67 0.00 1.95 2.01 0.00 3.18 0.00 0.00 3.55 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 20 Y 8.23 4.22 0.00 2.37 2.41 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 21 E 8.31 4.08 0.00 2.12 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 0.00 2.85 2.69 0.00 22 E 8.14 4.04 0.00 2.17 2.14 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 2.38 2.48 0.00 23 V 8.31 3.92 2.21 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 0.99 0.00 0.00 1.12 0.00 0.00 24 M 8.20 4.39 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.82 0.00 25 K 7.96 4.26 0.00 1.78 1.94 0.00 1.76 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.51 7.81 26 T 7.57 4.17 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 1.31 0.00 0.00 27 F 7.95 4.53 0.00 3.58 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 28 D 8.89 4.52 0.00 2.70 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 8.10 4.25 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 1.35 0.00 0.00 30 V 7.74 4.19 2.33 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 0.81 0.00 0.00 1.06 0.00 0.00 31 E 9.43 4.26 0.00 2.06 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 0.00 2.32 2.27 0.00 32 A 7.48 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.29 4.72 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 1.02 0.00 0.00 0.92 0.00 0.00 34 R 8.96 4.65 0.00 1.69 1.70 0.00 3.14 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 35 K 8.36 3.45 0.00 0.79 1.31 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 0.67 7.81 36 S 8.96 4.33 0.00 3.85 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 37 D 8.68 4.58 0.00 2.78 2.71 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 38 L 7.76 4.17 0.00 1.61 1.69 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.63 4.70 0.00 2.72 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.54 0.00 2.71 2.71 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 41 R 8.59 4.47 0.00 2.11 2.08 0.00 3.10 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 42 V 7.86 5.09 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 1.03 0.00 0.00 1.01 0.00 0.00 43 Y 9.55 5.25 0.00 2.95 2.84 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 44 M 9.22 5.00 0.00 1.62 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 2.43 2.32 0.00 45 V 8.70 4.34 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 0.18 0.00 0.00 0.63 0.00 0.00 46 C 8.69 4.97 0.00 2.96 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 47 L 8.91 5.04 0.00 1.57 1.64 1.19 0.92 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 9.11 4.09 0.00 1.70 1.77 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.65 7.81 49 Q 8.74 4.11 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 50 G 8.84 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 0.00 0.00 0.00 0.00 51 S 7.91 4.81 0.00 4.11 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 52 T 8.38 4.78 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 1.27 0.00 0.00 53 F 9.27 4.57 0.00 3.32 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 V 7.86 4.81 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 0.75 0.00 0.00 0.87 0.00 0.00 55 L 8.96 4.49 0.00 1.71 1.78 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.05 4.27 0.00 2.71 2.89 0.00 0.00 7.11 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 9.57 3.75 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 0.00 0.00 0.00 58 G 7.73 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 0.00 0.00 0.00 59 I 8.18 3.48 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.26 0.72 0.00 0.00 60 E 8.25 3.93 0.00 2.05 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 8.26 3.95 0.00 1.97 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 2.38 2.35 0.00 62 L 8.05 4.07 0.00 1.76 1.64 1.01 0.66 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 63 R 7.89 3.96 0.00 2.02 2.07 0.00 3.16 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 64 L 7.83 3.99 0.00 1.82 1.74 0.96 0.81 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 65 L 7.90 4.15 0.00 1.71 1.82 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.15 4.31 4.36 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 1.38 0.00 0.00 67 G 8.19 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 68 D 7.84 4.76 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 69 S 8.77 4.25 0.00 4.02 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 70 T 8.12 4.27 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 7.35 4.18 0.00 1.76 1.83 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.76 4.76 0.00 2.01 1.68 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 2.16 2.21 0.00 73 I 8.08 4.88 1.42 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.91 0.26 0.00 0.00 74 Q 9.16 4.42 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 75 P 0.00 4.89 0.00 2.05 2.08 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 76 M 9.24 4.14 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 *77 I 8.02 3.14 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 0.70 0.91 0.00 0.00 78 V 8.04 4.41 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 1.01 0.00 0.00 0.94 0.00 0.00 79 P 0.00 4.18 0.00 2.08 2.04 0.00 3.73 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 8.46 3.60 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.