NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3051 8.2393 120.8605 55.2212 32.2499 174.8084 6 V 4.3617 7.1786 117.4529 58.4688 34.4496 174.0092 7 N 4.4260 8.7253 120.8141 56.3682 39.8802 176.0269 8 S 4.7437 7.4973 108.6266 57.4739 65.9219 172.4716 9 D 4.9323 8.2663 118.2843 54.4165 41.6631 177.2302 10 V 3.9410 8.0178 112.3661 61.6581 32.6426 176.3170 11 L 4.4882 7.7136 120.7314 53.2272 41.4433 175.2851 12 T 5.0880 8.1595 113.2295 59.6533 71.5685 174.2738 13 V 4.1865 8.3921 120.3585 61.6741 33.5231 175.9872 *25 K 4.1144 7.6851 120.5528 55.1881 33.0720 173.7212 26 P 4.6441 0.0000 0.0000 62.8361 32.4215 177.7349 27 L 3.9353 8.8930 123.4742 58.4037 41.7919 179.4981 28 R 3.9362 8.0629 115.5093 59.6704 29.0462 178.3827 29 D 4.3373 8.0751 119.3214 57.1906 40.6756 178.9765 30 S 4.0888 8.0421 115.7595 61.4374 62.7856 176.7951 31 V 3.5204 7.6974 120.4297 65.9016 31.3161 177.9788 32 K 3.9343 8.2025 118.2394 59.6511 31.8466 179.2494 33 Q 3.9675 8.2424 118.0189 58.9962 28.7286 178.8691 34 A 3.9383 8.2712 122.0113 55.0650 18.3744 179.7930 35 L 3.5717 7.9945 117.5359 57.5042 41.7342 179.3521 36 K 3.9304 8.4740 119.9055 59.8390 31.9317 178.3276 37 N 4.3547 8.1599 115.7312 56.5009 39.0716 176.0689 38 Y 4.2062 7.6809 120.9736 60.7615 38.7482 177.5736 39 F 4.3563 7.9965 117.4414 60.6456 39.0737 177.1364 40 A 4.1642 8.0019 119.4528 55.9069 18.1697 178.4574 41 Q 3.7206 7.6954 117.2568 57.9419 29.2627 175.4296 *46 D 4.4247 7.3058 119.3739 54.1103 42.6140 175.3902 47 V 4.6364 8.2481 122.2219 61.4072 34.5416 174.9449 48 N 5.1615 8.7139 119.5548 52.9855 39.1405 174.0702 49 D 4.9100 7.8671 118.4461 52.2499 40.1385 177.3839 50 L 3.9749 8.3619 123.7552 59.3046 42.1076 176.9876 51 Y 3.9557 8.0340 119.1656 60.7164 38.8765 177.4933 52 E 3.8892 8.2785 119.7561 58.9879 29.6470 178.1378 53 L 3.8469 7.7852 120.3779 58.3323 42.0911 179.3189 54 V 3.4240 7.5772 118.0061 65.5728 31.4402 177.6323 55 L 3.6792 7.8823 120.3457 58.1569 41.7736 178.9563 56 A 4.1608 7.9990 121.9785 54.5199 18.0972 179.2062 57 E 3.7670 7.7353 117.0158 58.4749 29.7702 178.2433 58 V 3.9744 7.2154 117.3335 64.5955 32.2918 177.6073 59 E 3.9063 8.4602 118.7320 59.2515 29.2731 178.9850 60 Q 3.5736 7.1875 118.4354 58.5402 28.7293 177.5430 61 P 4.2240 0.0000 0.0000 65.5399 31.2039 178.1365 62 L 3.8674 7.5724 120.3131 58.1088 42.0587 178.9920 63 L 3.9863 8.0741 119.1060 57.6314 41.6336 179.0306 64 D 4.3052 8.0859 118.0061 57.7863 41.2628 178.3482 65 M 4.1237 8.2480 119.3847 58.2490 31.9082 179.0242 66 V 3.6537 8.1522 118.8472 66.3242 31.7648 178.0962 67 M 4.1389 8.3147 118.2688 58.1462 31.7170 178.7124 68 A 4.0045 7.9895 120.7804 55.3227 18.3940 178.9920 69 Y 4.0671 8.0478 117.1903 60.4142 39.0360 177.4437 70 T 4.3241 8.0400 108.8650 60.2899 69.1637 174.8622 71 R 3.8312 9.0204 118.5759 57.5420 28.2443 177.5013 72 G 3.8456 8.6923 106.6155 45.5631 0.0000 174.5607 73 N 4.4450 8.1588 118.2273 53.4098 39.0435 175.0349 74 Q 4.0528 8.5974 128.5796 59.2369 28.9430 178.8546 75 T 3.8746 7.9446 116.2986 66.6490 68.5637 176.7631 76 R 3.9339 8.4344 119.7331 59.1237 30.0135 178.9325 77 A 4.0133 8.1364 120.2791 55.1649 18.3952 179.4835 78 A 3.9466 8.2147 119.3766 55.4322 18.2421 179.8907 79 L 3.9538 8.0177 117.4728 58.0779 41.4273 179.4955 80 M 4.1404 8.0361 117.4302 58.8937 32.3310 177.9290 81 M 4.2846 8.2657 117.6803 56.0876 32.1716 177.1525 82 G 3.8815 7.7085 105.6347 45.8858 0.0000 172.9234 83 I 4.6661 7.6540 111.5154 57.7134 40.8387 175.0526 84 N 4.6951 8.2963 118.8433 51.9597 39.6811 175.8458 85 R 3.9793 8.5968 120.6343 59.8102 29.9845 178.6307 86 G 3.6496 8.1056 104.7232 48.1298 0.0000 175.6520 87 T 3.8887 8.7180 118.5800 66.2823 68.5062 176.5642 88 L 3.9990 7.7814 121.8506 58.1504 42.0564 179.1976 89 R 3.9232 8.0163 118.0013 59.1974 30.0663 178.9340 90 K 3.9195 8.1989 119.3674 59.4119 32.0374 179.0449 91 K 3.9386 8.1923 118.7616 59.3320 31.9981 179.3419 92 L 4.0715 8.0483 119.2650 57.6448 41.4885 179.3998 93 K 4.5351 7.9226 120.8213 58.9959 31.9234 178.3706 94 K 3.6371 7.5856 118.3406 59.3121 31.8496 177.2305 95 Y 4.8470 7.5111 115.3750 57.1693 38.5121 175.9897 96 G 3.9583 7.9134 106.4613 46.9966 0.0000 174.6649 97 M 4.4049 8.6186 116.9596 54.7611 32.7558 176.3682 98 N 4.5398 7.9245 122.7506 52.9871 37.8780 174.8949 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 4.31 0.00 1.79 1.96 0.00 3.14 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 6 V 7.18 4.36 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 0.76 0.00 0.00 0.93 0.00 0.00 7 N 8.73 4.43 0.00 2.71 2.89 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 7.50 4.74 0.00 3.95 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 8.27 4.93 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.94 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 0.71 0.00 0.00 0.91 0.00 0.00 11 L 7.71 4.49 0.00 1.67 1.59 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.16 5.09 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 1.20 0.00 0.00 13 V 8.39 4.19 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 0.77 0.00 0.00 0.91 0.00 0.00 *25 K 7.69 4.11 0.00 1.90 1.85 0.00 1.56 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 26 P 0.00 4.64 0.00 2.20 2.18 0.00 3.77 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 2.39 1.96 0.00 27 L 8.89 3.94 0.00 1.82 1.70 0.89 0.93 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 28 R 8.06 3.94 0.00 2.07 2.19 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 1.74 0.00 29 D 8.08 4.34 0.00 2.91 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 8.04 4.09 0.00 4.03 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 31 V 7.70 3.52 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 1.03 0.00 0.00 0.94 0.00 0.00 32 K 8.20 3.93 0.00 2.00 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.65 7.81 33 Q 8.24 3.97 0.00 2.21 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 2.45 2.52 0.00 34 A 8.27 3.94 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 35 L 7.99 3.57 0.00 1.73 1.29 0.92 0.39 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 36 K 8.47 3.93 0.00 1.85 2.03 0.00 1.67 0.00 0.00 1.59 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 8.16 4.35 0.00 2.79 3.00 0.00 0.00 7.27 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 38 Y 7.68 4.21 0.00 3.06 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.36 0.00 3.04 2.95 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 40 A 8.00 4.16 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 7.70 3.72 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.34 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 *46 D 7.31 4.42 0.00 2.75 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 47 V 8.25 4.64 2.24 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 1.08 0.00 0.00 1.09 0.00 0.00 48 N 8.71 5.16 0.00 2.82 2.85 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 4.91 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 8.36 3.97 0.00 1.93 1.84 0.79 1.14 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 51 Y 8.03 3.96 0.00 3.15 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 52 E 8.28 3.89 0.00 2.20 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 0.00 2.41 2.45 0.00 53 L 7.79 3.85 0.00 1.86 1.73 0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.58 3.42 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 0.79 0.00 0.00 0.82 0.00 0.00 55 L 7.88 3.68 0.00 1.26 1.60 0.84 0.97 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 56 A 8.00 4.16 1.40 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 0.00 0.00 57 E 7.74 3.77 0.00 1.90 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 2.21 2.25 0.00 58 V 7.22 3.97 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 0.85 0.00 0.00 59 E 8.46 3.91 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 60 Q 7.19 3.57 0.00 1.77 1.89 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 1.34 1.16 0.00 61 P 0.00 4.22 0.00 2.19 2.23 0.00 3.42 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 2.13 2.05 0.00 62 L 7.57 3.87 0.00 1.75 1.85 0.89 0.61 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 63 L 8.07 3.99 0.00 1.86 1.73 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.09 4.31 0.00 2.78 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 M 8.25 4.12 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.80 0.00 66 V 8.15 3.65 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 8.31 4.14 0.00 2.10 2.19 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 2.87 0.00 68 A 7.99 4.00 1.42 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 0.00 0.00 0.00 69 Y 8.05 4.07 0.00 3.05 3.19 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 70 T 8.04 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 1.39 0.00 0.00 71 R 9.02 3.83 0.00 1.91 1.99 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 1.45 0.00 72 G 8.69 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 73 N 8.16 4.44 0.00 2.80 2.81 0.00 0.00 7.06 6.55 0.00 0.00 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 Q 8.60 4.05 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 75 T 7.94 3.87 4.39 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 1.22 0.00 0.00 76 R 8.43 3.93 0.00 2.11 2.01 0.00 3.34 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 77 A 8.14 4.01 1.40 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 0.00 0.00 78 A 8.21 3.95 1.44 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 0.00 0.00 0.00 79 L 8.02 3.95 0.00 1.90 1.75 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 80 M 8.04 4.14 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 81 M 8.27 4.28 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 82 G 7.71 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 0.00 0.00 0.00 83 I 7.65 4.67 1.88 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 1.37 0.79 0.93 0.00 0.00 84 N 8.30 4.70 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 8.60 3.98 0.00 1.95 1.99 0.00 3.24 0.00 0.00 3.35 7.55 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 8.11 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 87 T 8.72 3.89 4.38 0.00 0.00 0.00 0.00 0.00 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 7.78 4.00 0.00 1.77 1.86 0.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.02 3.92 0.00 2.15 1.97 0.00 3.24 0.00 0.00 3.30 7.55 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 8.20 3.92 0.00 1.91 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 91 K 8.19 3.94 0.00 2.06 1.98 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.69 7.81 92 L 8.05 4.07 0.00 1.87 1.75 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.92 4.54 0.00 1.86 1.93 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.31 7.81 94 K 7.59 3.64 0.00 1.60 1.42 0.00 1.61 0.00 0.00 1.22 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.48 1.16 7.81 95 Y 7.51 4.85 0.00 3.02 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 7.91 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 97 M 8.62 4.40 0.00 2.01 2.26 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 2.82 2.51 0.00 98 N 7.92 4.54 0.00 2.87 2.92 0.00 0.00 6.28 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.