NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3421 8.2393 119.7069 55.6129 32.2175 175.3780 6 V 4.2897 7.3609 114.9899 58.4443 33.8447 173.4801 7 N 4.3870 8.7577 121.7217 56.2812 39.7404 175.8805 8 S 4.7461 7.5174 108.4682 57.3689 66.1022 172.6384 9 D 4.8987 8.3078 117.0306 54.3320 41.8968 177.4001 10 V 3.7966 7.9953 113.0827 62.2790 32.2835 176.1317 11 L 4.5155 7.7141 120.7973 53.1231 41.7174 175.2889 12 T 5.0303 8.1814 113.5479 59.7275 71.4169 174.2297 13 V 4.0325 8.3571 122.9458 62.2184 33.4635 176.2990 *25 K 4.1190 7.6102 120.5397 55.1868 32.8326 173.2373 26 P 4.7355 0.0000 0.0000 62.6193 32.4342 178.2316 27 L 3.9807 8.6875 122.3718 58.1746 41.8021 179.6078 28 R 3.9243 8.0039 115.8582 59.4989 29.2285 178.4037 29 D 4.3540 7.9851 118.9641 57.2758 40.7664 178.9908 30 S 4.1472 7.8516 115.3001 61.2782 62.8981 176.6707 31 V 3.5155 7.6664 121.0569 65.8375 31.3160 178.1454 32 K 3.9181 8.2970 118.5363 59.6940 31.8552 179.2774 33 Q 3.9708 8.1342 117.8723 58.9650 28.6479 178.7928 34 A 3.9419 8.0577 121.6967 55.1851 18.3798 179.7507 35 L 3.5959 7.9531 117.5119 57.3351 41.6433 179.4893 36 K 3.9591 8.4829 119.9867 59.7452 31.9828 178.4744 37 N 4.3620 8.2047 116.0005 56.4331 39.1385 176.0853 38 Y 4.1571 7.8345 121.2072 60.8007 38.7522 177.8542 39 F 4.3652 8.2497 117.3676 60.6425 39.0779 177.2448 40 A 4.1917 8.1317 119.5031 54.2168 18.1724 178.1757 41 Q 4.3473 7.4782 116.8583 55.4099 30.8112 174.9205 *46 D 4.4596 7.5533 116.2509 53.6992 42.1643 175.2581 47 V 4.6529 8.1397 120.6143 61.5033 34.6489 175.0470 48 N 5.1736 8.7406 119.5843 52.8018 38.9103 174.1388 49 D 4.8942 7.8714 118.2348 52.2193 40.1459 177.3415 50 L 3.8979 8.3789 123.8055 59.3023 42.0455 177.0721 51 Y 3.8961 8.0121 119.0890 60.6839 38.8020 177.4544 52 E 3.9204 8.3216 119.7448 59.0792 29.6642 178.0322 53 L 3.8497 7.9964 120.4750 58.3736 42.1634 179.3443 54 V 3.4092 7.5528 117.8460 65.6884 31.4597 177.5763 55 L 3.7040 7.8247 120.2745 58.1976 41.7573 178.9208 56 A 4.3382 8.1580 122.1573 54.5998 18.1026 179.1906 57 E 3.8319 7.7336 116.9421 58.4607 29.8225 178.2379 58 V 3.9581 7.2602 117.2663 64.6130 32.2248 177.6160 59 E 3.8948 8.3970 118.8241 59.2044 29.2635 179.0469 60 Q 3.5374 7.2293 118.0691 58.4951 28.7290 177.5737 61 P 4.2326 0.0000 0.0000 65.4284 31.2911 178.1695 62 L 3.8672 7.5952 120.0177 58.0575 42.0456 178.9514 63 L 3.9743 8.1777 119.3277 57.6803 41.5940 178.9596 64 D 4.3062 8.0381 117.9008 57.8263 41.2468 178.3269 65 M 4.1082 8.3142 119.4662 58.3175 31.9303 179.0045 66 V 3.6583 8.1568 118.8031 66.3468 31.7409 178.0990 67 M 4.1713 8.3048 118.4011 58.2935 31.7762 178.8361 68 Q 4.0649 8.0425 118.1183 58.9374 28.6869 177.8569 69 Y 4.1065 7.9965 119.9897 60.4957 39.0267 177.1831 70 T 4.2986 8.1347 109.1035 60.4936 69.1924 174.8524 71 R 3.7410 8.7986 118.2536 57.6496 28.2476 177.4466 72 G 3.8229 8.6766 105.3938 45.6072 0.0000 174.5434 73 N 4.4833 8.1933 118.7532 52.8175 39.0619 174.9046 74 A 4.0388 8.5046 131.2684 55.4823 18.6308 179.0838 75 T 3.8138 7.9216 113.7779 66.8082 68.6676 176.8133 76 R 3.9309 8.6093 120.5844 59.2512 30.0820 178.4697 77 A 4.0346 8.2486 120.5331 55.0050 18.3316 179.4327 78 A 3.9749 8.2413 119.4510 55.3101 18.2382 179.8564 79 L 3.9260 7.7739 116.3816 58.2511 41.7947 179.2211 80 M 4.1871 8.0026 116.9647 58.6773 32.2414 177.7040 81 M 4.2980 8.0096 117.8831 55.8299 32.2754 177.1802 82 G 3.8857 8.3452 106.9325 45.6489 0.0000 172.7363 83 I 4.6318 7.4118 111.0939 57.8881 40.8798 174.7865 84 N 4.7443 8.2443 118.7677 51.7698 39.8255 175.9087 85 R 3.9781 8.5116 120.4102 59.6514 30.0915 178.6018 86 G 3.6182 8.0627 104.8873 48.1537 0.0000 175.6587 87 T 3.9099 8.6732 118.6234 66.1921 68.4294 176.5659 88 L 3.9917 7.9442 122.2891 58.2696 42.0481 179.2145 89 R 3.9152 8.2674 118.2181 59.0585 29.9027 178.9369 90 K 3.8819 8.1079 119.3204 59.4031 32.1847 178.9942 91 K 3.8870 8.0898 118.5993 59.5310 32.0498 179.2332 92 L 4.1140 8.1132 119.2889 57.6992 41.4566 179.5242 93 K 4.0184 8.2358 119.5599 59.5606 31.9596 178.5041 94 K 3.6632 7.8701 118.6508 59.2323 31.9622 177.1561 95 Y 4.7863 7.5284 114.6443 56.7313 37.8727 176.0711 96 G 4.1364 8.0279 107.2662 47.1416 0.0000 174.6261 97 M 4.4531 8.6357 117.0429 54.6280 32.3702 176.2945 98 N 4.5425 7.9850 122.2105 53.0747 37.8055 174.8890 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 5 R 8.24 4.34 0.00 1.82 2.06 0.00 3.13 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 6 V 7.36 4.29 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 0.74 0.00 0.00 0.93 0.00 0.00 7 N 8.76 4.39 0.00 2.70 2.90 0.00 0.00 6.81 7.63 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 8 S 7.52 4.75 0.00 3.94 3.77 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 9 D 8.31 4.90 0.00 2.60 2.63 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 0.00 0.00 0.00 10 V 8.00 3.80 2.05 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 0.69 0.00 0.00 0.91 0.00 0.00 11 L 7.71 4.52 0.00 1.67 1.58 0.89 0.56 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 12 T 8.18 5.03 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 1.20 0.00 0.00 13 V 8.36 4.03 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 0.76 0.00 0.00 0.91 0.00 0.00 *25 K 7.61 4.12 0.00 1.90 1.85 0.00 1.56 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 26 P 0.00 4.74 0.00 2.20 2.18 0.00 3.69 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 2.38 1.96 0.00 27 L 8.69 3.98 0.00 1.75 1.68 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.00 3.92 0.00 2.07 2.17 0.00 3.02 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 29 D 7.99 4.35 0.00 2.97 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 30 S 7.85 4.15 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.67 3.52 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 0.97 0.00 0.00 0.94 0.00 0.00 32 K 8.30 3.92 0.00 1.97 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.64 7.81 33 Q 8.13 3.97 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 34 A 8.06 3.94 1.30 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 0.00 0.00 35 L 7.95 3.60 0.00 1.69 1.15 0.88 0.33 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 36 K 8.48 3.96 0.00 1.89 1.98 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.53 7.81 37 N 8.20 4.36 0.00 2.72 2.83 0.00 0.00 7.26 8.27 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 38 Y 7.83 4.16 0.00 3.07 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 39 F 8.25 4.37 0.00 3.17 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 40 A 8.13 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.48 4.35 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.39 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 *46 D 7.55 4.46 0.00 2.75 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 47 V 8.14 4.65 2.26 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 1.10 0.00 0.00 1.13 0.00 0.00 48 N 8.74 5.17 0.00 2.82 2.84 0.00 0.00 5.85 8.06 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 49 D 7.87 4.89 0.00 2.82 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 50 L 8.38 3.90 0.00 1.91 1.82 0.62 1.12 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 51 Y 8.01 3.90 0.00 3.15 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 52 E 8.32 3.92 0.00 2.22 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 2.42 2.46 0.00 53 L 8.00 3.85 0.00 1.85 1.72 0.86 0.29 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 54 V 7.55 3.41 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 0.76 0.00 0.00 0.78 0.00 0.00 55 L 7.82 3.70 0.00 1.29 1.64 0.85 1.15 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 56 A 8.16 4.34 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 57 E 7.73 3.83 0.00 1.91 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 2.22 2.26 0.00 58 V 7.26 3.96 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 0.93 0.00 0.00 0.83 0.00 0.00 59 E 8.40 3.89 0.00 1.91 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 2.34 2.51 0.00 60 Q 7.23 3.54 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 61 P 0.00 4.23 0.00 2.19 2.23 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 62 L 7.60 3.87 0.00 1.75 1.88 0.89 1.06 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 63 L 8.18 3.97 0.00 1.82 1.73 1.11 0.87 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 64 D 8.04 4.31 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 65 M 8.31 4.11 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.82 0.00 66 V 8.16 3.66 2.10 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 1.07 0.00 0.00 1.02 0.00 0.00 67 M 8.30 4.17 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.92 0.00 68 Q 8.04 4.06 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 69 Y 8.00 4.11 0.00 3.03 3.17 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 0.00 0.00 0.00 0.00 70 T 8.13 4.30 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 1.38 0.00 0.00 71 R 8.80 3.74 0.00 1.92 1.98 0.00 3.11 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 72 G 8.68 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 0.00 0.00 0.00 73 N 8.19 4.48 0.00 2.79 2.81 0.00 0.00 7.00 8.39 0.00 0.00 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 8.50 4.04 1.33 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 0.00 0.00 0.00 75 T 7.92 3.81 4.37 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 1.22 0.00 0.00 76 R 8.61 3.93 0.00 1.98 1.95 0.00 3.32 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 77 A 8.25 4.03 1.43 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 78 A 8.24 3.97 1.47 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 0.00 0.00 79 L 7.77 3.93 0.00 1.82 1.76 0.93 0.73 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 80 M 8.00 4.19 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 81 M 8.01 4.30 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.55 0.00 82 G 8.35 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 0.00 0.00 0.00 83 I 7.41 4.63 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 0.93 0.00 0.00 84 N 8.24 4.74 0.00 3.02 3.00 0.00 0.00 5.54 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 85 R 8.51 3.98 0.00 1.95 1.98 0.00 3.24 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 86 G 8.06 3.62 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 0.00 0.00 0.00 87 T 8.67 3.91 4.42 0.00 0.00 0.00 0.00 0.00 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 88 L 7.94 3.99 0.00 1.79 1.85 0.95 1.10 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 89 R 8.27 3.92 0.00 2.19 1.97 0.00 3.24 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 90 K 8.11 3.88 0.00 1.89 1.99 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 91 K 8.09 3.89 0.00 2.07 2.01 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.73 7.81 92 L 8.11 4.11 0.00 1.87 1.77 0.95 0.75 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 93 K 8.24 4.02 0.00 1.91 2.03 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 94 K 7.87 3.66 0.00 1.56 1.42 0.00 1.59 0.00 0.00 1.09 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.59 1.17 7.81 95 Y 7.53 4.79 0.00 3.06 2.89 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 96 G 8.03 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 0.00 0.00 0.00 97 M 8.64 4.45 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.50 0.00 98 N 7.99 4.54 0.00 2.83 2.80 0.00 0.00 6.00 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.