NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2779 8.3001 118.7933 54.5944 34.1251 175.9059 2 A 3.4620 7.9054 118.5411 52.8312 15.4048 176.0558 *3 H 4.7409 8.1294 119.3251 54.3317 31.3615 176.8215 4 K 4.8414 7.8593 124.3341 56.1577 33.4648 178.1399 5 K 4.6157 8.2117 109.2612 55.7118 34.0554 171.0814 6 G 3.9491 8.3757 112.5823 46.8227 0.0000 172.9775 7 L 4.8284 8.2053 118.1540 52.3421 44.9272 176.1466 8 G 4.0870 8.3299 112.8210 45.0707 0.0000 174.8414 9 S 4.2192 7.7388 111.6003 58.8170 62.6357 175.9667 10 T 4.0443 7.7360 119.4160 64.9964 67.6471 174.8498 11 R 4.4498 8.5109 125.1225 56.3663 30.8830 176.7471 12 N 5.0014 7.7187 115.6505 52.4899 39.3720 175.2243 13 G 3.7470 7.9557 105.9916 45.9048 0.0000 172.4955 14 R 4.4620 7.9137 115.1530 54.2582 30.4803 174.1382 15 D 4.4318 7.8301 118.4846 53.7957 43.8197 175.6138 16 S 4.5412 8.5176 120.9432 57.4975 63.9785 174.1420 17 Q 4.0726 8.3708 120.5511 55.4326 29.1428 175.9333 18 A 3.9135 8.6217 123.4565 53.3547 18.5254 177.3717 19 K 4.2602 8.7760 121.1415 55.6715 32.8430 177.3915 20 R 3.6034 7.6654 115.6122 57.2580 26.9484 174.6693 21 L 4.3728 7.2919 118.8571 52.8213 44.4117 176.0976 22 G 3.9273 9.0462 105.8335 44.3794 0.0000 173.2130 23 V 3.6974 7.9808 117.8261 63.4187 31.5813 175.7934 24 K 4.4076 8.4673 122.5603 55.7570 33.9502 176.7446 25 R 4.3481 7.3009 117.5054 54.7947 33.7592 174.1727 26 Y 4.7574 8.4304 120.2411 55.9952 39.7408 174.4556 27 E 4.2280 8.8711 121.9726 58.7006 29.8691 177.5039 28 G 3.9929 9.2261 113.6293 45.3191 0.0000 172.5447 29 Q 4.6497 7.7453 119.5180 53.7117 30.6756 175.5247 30 V 3.8367 8.4908 124.3800 63.3881 32.6463 175.1500 31 V 4.6825 8.4383 119.2180 59.9745 36.6676 174.2303 32 R 5.1360 8.4648 119.1929 53.9243 33.5045 175.6146 33 A 4.0616 8.4500 123.8371 54.1562 18.2109 176.3825 34 G 4.1827 9.3066 110.2086 45.5664 0.0000 173.9531 35 N 4.0893 8.2639 116.3382 53.0462 39.2917 174.4168 36 I 4.5034 8.4129 123.9544 60.6250 38.8369 175.0219 37 L 4.6521 9.3384 127.3853 55.3164 44.8833 176.5446 38 V 4.7119 7.4926 116.8777 61.5947 35.2338 172.7482 39 R 5.0989 8.6823 126.4489 54.4261 32.5216 174.9134 40 Q 4.7248 8.5440 120.5548 55.0308 31.3507 174.8263 41 R 4.1847 9.1723 119.8692 58.4409 31.4747 178.5533 42 G 4.1570 7.6005 109.1034 46.1937 0.0000 174.1236 43 T 3.8178 8.8623 117.8573 63.6261 67.9016 177.9267 44 R 3.4464 6.4980 118.3981 56.4710 30.8309 175.9195 45 F 4.8673 9.0091 113.8666 55.5029 41.8258 175.0539 46 K 4.5419 8.6608 122.6934 53.8844 34.4263 174.2416 47 P 4.5365 0.0000 0.0000 63.0350 32.1131 176.3562 48 G 4.2867 8.4214 111.3825 44.6487 0.0000 171.2159 49 K 3.9790 8.7085 120.6387 57.5149 32.1011 176.0180 50 N 4.3677 9.0801 122.8813 53.8565 35.5847 174.4217 51 V 4.4226 7.5669 117.3423 61.6752 34.7405 174.9212 52 G 3.5486 7.4526 116.1837 45.6349 0.0000 171.4536 53 M 5.2554 8.4035 117.9801 54.7051 35.2602 175.1347 54 G 4.0956 9.4561 114.2836 44.6113 0.0000 174.5213 55 R 3.4080 8.7234 118.4782 58.6493 29.9749 177.5979 56 D 4.3292 7.8533 114.3841 52.6709 39.5921 176.5113 57 F 4.3180 8.8423 117.4168 58.6750 36.9609 174.8369 58 T 4.3508 7.9946 118.3405 63.7426 69.4567 173.2135 59 L 5.3482 8.7261 126.6303 53.2886 44.0495 175.6369 60 F 5.4125 8.2952 117.2383 54.6172 41.9183 173.9179 61 A 4.2958 9.0286 122.9205 53.0799 18.8018 178.0042 62 L 4.6311 8.3710 118.1943 54.9133 44.4408 176.7319 63 V 4.5419 7.4967 109.5371 59.1866 35.5083 174.4294 64 D 4.6314 8.2082 120.0846 54.3824 41.3876 175.5070 65 G 4.2859 7.7418 105.5980 43.6026 0.0000 173.2629 66 V 4.0229 7.9902 120.4139 62.7844 32.8507 175.3189 67 V 4.4942 8.2019 126.6566 62.6376 33.1086 174.5633 68 E 5.1754 9.5071 123.6038 54.8056 33.0836 174.1895 69 F 5.3586 8.8461 119.0223 56.1584 42.1165 175.2073 70 Q 4.6674 9.3299 119.8347 54.5046 33.0683 173.2710 71 D 5.3798 8.9678 123.4099 51.8985 43.3398 176.4998 72 R 4.6697 8.6514 124.8744 58.4730 32.0822 176.2458 73 G 3.9503 7.9851 114.5091 45.6337 0.0000 177.3703 74 R 3.8895 8.8611 126.0657 58.6991 29.9911 177.4008 75 L 4.1030 8.6554 118.5912 57.2360 42.1122 175.7204 76 G 3.7312 7.8859 103.3745 44.0594 0.0000 172.1617 77 R 5.3338 8.1477 117.0248 55.0405 32.6679 175.5622 78 Y 5.5749 9.3183 119.1496 55.1967 42.5236 174.3124 79 V 4.2643 8.2604 122.6206 61.3724 34.1461 174.0449 80 H 5.3151 9.1887 123.8585 53.9422 33.1687 172.4651 81 V 4.7764 8.5166 120.7401 61.1135 32.7254 175.1351 82 R 4.3736 8.7905 126.0095 54.6971 30.7662 175.9891 83 P 5.0149 0.0000 0.0000 62.5291 31.6089 173.8970 84 L 4.4035 7.9423 116.8147 55.8976 42.9189 174.7393 85 A 4.1887 8.1998 120.6149 52.6448 19.2015 175.9051 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 1 M 8.30 4.28 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.91 3.46 1.38 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 0.00 0.00 0.00 *3 H 8.13 4.74 0.00 2.94 2.85 0.00 7.17 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.86 4.84 0.00 1.74 1.53 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 0.96 7.81 5 K 8.21 4.62 0.00 1.71 1.62 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.11 0.83 7.81 6 G 8.38 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 7 L 8.21 4.83 0.00 1.63 1.40 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.33 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.74 4.22 0.00 3.65 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 10 T 7.74 4.04 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 1.23 0.00 0.00 11 R 8.51 4.45 0.00 1.79 1.96 0.00 3.16 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 12 N 7.72 5.00 0.00 2.68 2.79 0.00 0.00 6.94 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 13 G 7.96 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 14 R 7.91 4.46 0.00 1.90 2.12 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 15 D 7.83 4.43 0.00 2.55 2.47 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 16 S 8.52 4.54 0.00 3.90 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 17 Q 8.37 4.07 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 18 A 8.62 3.91 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 19 K 8.78 4.26 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.51 7.81 20 R 7.67 3.60 0.00 1.89 1.92 0.00 3.36 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 L 7.29 4.37 0.00 1.66 1.67 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.05 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 23 V 7.98 3.70 1.96 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 0.49 0.00 0.00 0.81 0.00 0.00 24 K 8.47 4.41 0.00 1.62 1.68 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.46 7.81 25 R 7.30 4.35 0.00 1.62 1.74 0.00 3.17 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 26 Y 8.43 4.76 0.00 3.29 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 27 E 8.87 4.23 0.00 2.26 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 2.45 2.68 0.00 28 G 9.23 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 0.00 0.00 0.00 29 Q 7.75 4.65 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 30 V 8.49 3.84 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 0.78 0.00 0.00 0.95 0.00 0.00 31 V 8.44 4.68 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 0.85 0.00 0.00 1.01 0.00 0.00 32 R 8.46 5.14 0.00 1.89 1.80 0.00 3.15 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 33 A 8.45 4.06 1.27 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 0.00 0.00 0.00 0.00 0.00 34 G 9.31 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.09 0.00 2.84 2.81 0.00 0.00 6.58 7.18 0.00 0.00 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 I 8.41 4.50 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 0.89 0.00 0.00 37 L 9.34 4.65 0.00 1.56 1.51 0.83 0.39 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 38 V 7.49 4.71 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 0.76 0.00 0.00 0.61 0.00 0.00 39 R 8.68 5.10 0.00 1.77 1.81 0.00 3.33 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 Q 8.54 4.72 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 41 R 9.17 4.18 0.00 1.88 2.06 0.00 3.29 0.00 0.00 3.28 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 42 G 7.60 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.86 3.82 3.74 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 1.01 0.00 0.00 44 R 6.50 3.45 0.00 2.29 2.15 0.00 3.24 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 45 F 9.01 4.87 0.00 2.70 2.87 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 46 K 8.66 4.54 0.00 0.79 1.37 0.00 1.29 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.12 0.95 7.81 47 P 0.00 4.54 0.00 2.15 1.97 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 48 G 8.42 4.29 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 0.00 49 K 8.71 3.98 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.44 1.31 7.81 50 N 9.08 4.37 0.00 3.03 2.88 0.00 0.00 6.46 7.68 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 51 V 7.57 4.42 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 0.52 0.00 0.00 0.85 0.00 0.00 52 G 7.45 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 M 8.40 5.26 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 54 G 9.46 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.72 3.41 0.00 1.72 1.95 0.00 3.15 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 56 D 7.85 4.33 0.00 2.66 2.62 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 57 F 8.84 4.32 0.00 3.20 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 58 T 7.99 4.35 4.32 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 1.29 0.00 0.00 59 L 8.73 5.35 0.00 1.56 1.49 0.92 0.97 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 60 F 8.30 5.41 0.00 3.32 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 61 A 9.03 4.30 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 62 L 8.37 4.63 0.00 1.62 1.63 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.50 4.54 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 0.92 0.00 0.00 64 D 8.21 4.63 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 4.29 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 0.00 66 V 7.99 4.02 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 0.98 0.00 0.00 0.95 0.00 0.00 67 V 8.20 4.49 2.32 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 0.84 0.00 0.00 0.97 0.00 0.00 68 E 9.51 5.18 0.00 2.06 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 2.37 2.41 0.00 69 F 8.85 5.36 0.00 2.99 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 70 Q 9.33 4.67 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 71 D 8.97 5.38 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.65 4.67 0.00 1.89 1.78 0.00 3.26 0.00 0.00 3.01 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 73 G 7.99 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 74 R 8.86 3.89 0.00 1.81 2.05 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 75 L 8.66 4.10 0.00 1.86 1.83 0.88 0.96 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 76 G 7.89 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 77 R 8.15 5.33 0.00 1.33 1.90 0.00 2.81 0.00 0.00 2.61 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 78 Y 9.32 5.57 0.00 2.80 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 79 V 8.26 4.26 1.78 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 0.12 0.00 0.00 0.67 0.00 0.00 80 H 9.19 5.32 0.00 3.10 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.52 4.78 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 0.85 0.00 0.00 0.91 0.00 0.00 82 R 8.79 4.37 0.00 1.93 2.06 0.00 2.84 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 83 P 0.00 5.01 0.00 2.19 2.15 0.00 3.38 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 84 L 7.94 4.40 0.00 1.71 1.68 0.93 0.33 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 85 A 8.20 4.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.