NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3414 8.3001 118.7933 50.4541 34.2186 174.9149 2 A 3.5095 8.0140 121.4160 53.2765 15.8923 177.2114 *3 H 4.8129 8.3762 117.1539 55.9222 31.7149 178.9501 4 K 4.4907 8.3454 122.2651 55.2851 31.8954 181.3708 5 K 4.8206 8.5431 123.6147 55.4361 33.2874 175.3399 6 G 3.9564 8.4677 117.5665 44.8722 0.0000 171.3544 7 L 4.7743 8.1090 118.4369 52.3358 44.4644 175.2456 8 G 3.9975 8.5741 116.8478 45.3918 0.0000 176.0634 9 S 4.2314 7.9983 110.0635 59.1976 62.1361 177.5480 10 T 4.2243 7.9391 119.3727 64.5835 66.2932 173.6766 11 R 4.4809 8.1335 126.3531 56.0936 30.2774 176.5063 12 N 5.0607 7.9572 111.1852 53.0535 40.8056 176.8692 13 G 4.0101 7.8612 107.1235 45.5640 0.0000 173.2488 14 R 4.1882 8.5688 125.0655 55.3297 29.6051 175.0594 15 D 4.6720 7.7444 122.5419 54.5847 43.3827 176.0159 16 S 4.7715 8.0610 119.5739 56.4008 64.9991 174.1615 17 Q 4.0441 8.3481 119.9225 55.5389 28.9938 175.9884 18 A 3.8970 8.6262 123.3117 53.3606 18.4901 177.3793 19 K 4.2346 8.7652 121.2548 55.7096 32.9570 177.0958 20 R 3.6885 7.7141 116.8624 57.2139 27.2297 174.5573 21 L 4.3114 7.2674 116.7540 53.1283 44.3730 176.3397 22 G 3.8054 9.0809 105.5153 44.4344 0.0000 173.1350 23 V 3.4621 7.8894 117.5852 63.4904 31.4235 175.5928 24 K 4.3657 8.8122 125.2156 56.2271 34.0896 176.5784 25 R 4.5835 7.3992 115.7108 54.3600 33.9006 173.8156 26 Y 4.8271 8.2211 117.8956 55.4290 40.8106 174.9196 27 E 4.5846 8.8686 121.4474 58.6715 29.7970 177.0923 28 G 3.9777 9.1512 113.4595 45.7200 0.0000 172.5825 29 Q 4.5819 7.8298 119.0360 53.8611 30.5493 175.4783 30 V 3.8032 8.5361 124.4935 63.5020 32.0986 175.4583 31 V 4.6515 8.3529 119.7326 59.6818 36.2233 174.9779 32 R 4.8390 8.6475 121.2572 54.7992 32.2689 175.4177 33 A 3.9925 8.8535 124.5594 55.2547 18.2937 176.1394 34 G 3.8739 8.7849 115.1467 46.5691 0.0000 174.0425 35 N 4.2310 8.2586 118.4078 53.5285 39.4484 174.6643 36 I 4.2893 8.4779 123.6244 61.3671 38.5931 175.2250 37 L 4.6024 9.5186 127.7544 55.3549 44.6027 176.6156 38 V 4.4367 7.4333 116.3423 62.0535 35.0930 171.7834 39 R 5.0728 8.8354 128.1249 54.6013 31.9760 175.3652 40 Q 4.4530 8.4989 120.6187 54.9067 31.2317 174.0758 41 R 3.8871 9.0835 119.6383 57.7285 31.5800 180.8645 42 G 3.2920 7.2103 114.5438 46.1495 0.0000 173.9518 43 T 4.6108 8.2838 119.5918 62.7076 67.4218 177.6808 44 R 3.6717 7.0070 120.7742 55.8646 30.6072 176.3449 45 F 4.7414 8.3072 116.1717 55.5292 42.1017 175.0501 46 K 4.5437 8.7988 123.6165 54.1752 34.2431 174.1250 47 P 4.5908 0.0000 0.0000 62.5260 32.2483 176.4679 48 G 4.2046 9.2460 114.0228 44.2991 0.0000 172.7116 49 K 3.8728 9.0527 121.1344 58.2753 32.4831 176.3426 50 N 4.2914 8.9885 120.5373 54.1383 35.9573 173.4245 51 V 4.4885 7.7101 117.7913 61.2749 34.0986 175.4545 52 G 3.4850 7.1840 116.4392 45.9684 0.0000 171.2971 53 M 5.7889 7.6490 116.4898 56.0398 35.1707 175.6613 54 G 4.0248 8.9733 115.6801 44.1642 0.0000 174.4193 55 R 3.8216 8.1008 117.8784 58.7942 29.7717 177.3454 56 D 5.0096 7.9682 116.3168 53.2185 39.9435 176.9565 57 F 4.1050 8.2675 115.5822 59.5735 37.1872 174.9703 58 T 4.5889 7.5568 118.5977 63.0225 69.3577 174.1117 59 L 5.2424 9.1080 127.3897 53.6177 43.4094 176.0195 60 F 5.2326 8.0826 116.1669 54.8317 41.6529 173.4086 61 A 4.2199 8.7905 122.3279 53.2182 18.7078 178.0832 62 L 4.6146 8.6341 119.2151 54.9595 44.3084 177.1331 63 V 4.5736 7.5383 109.3930 59.0305 35.5847 174.7444 64 D 4.6574 8.3748 120.9555 54.3438 41.1434 175.9984 65 G 4.3571 8.2105 109.0682 43.7934 0.0000 172.6570 66 V 3.9313 7.8181 120.2440 62.5085 33.2879 174.6556 67 V 4.5509 8.2516 123.9249 61.2810 33.2117 174.4120 68 E 4.6917 9.4708 129.1207 56.0381 30.8107 175.7837 69 F 5.4232 8.7731 121.8617 55.9162 42.0424 174.9346 70 Q 4.6348 9.3556 123.2875 54.8950 32.5750 172.5532 71 D 5.4927 8.9573 125.9461 52.0774 43.6301 176.2948 72 R 4.7451 8.9477 125.0324 57.9869 32.3566 178.1468 73 G 3.9100 8.6227 114.1586 45.9685 0.0000 176.6385 74 R 3.9596 9.1270 123.3510 59.2685 29.8988 177.5507 75 L 4.0812 8.3478 117.4982 58.1593 42.0650 178.1737 76 G 3.9187 6.6268 102.6633 44.1731 0.0000 171.5355 77 R 5.1642 7.8313 118.3354 54.9049 32.6803 175.3849 78 Y 5.0337 9.8311 120.7266 56.1893 41.9404 174.4727 79 V 4.4513 8.6071 123.7450 61.4742 33.7370 174.2992 80 H 5.3142 9.0625 124.1327 53.8996 33.3562 172.5272 81 V 5.2626 8.9096 119.8524 60.2129 33.2770 175.0152 82 R 4.3513 8.5590 125.7388 54.6328 30.7020 175.6647 83 P 5.0534 0.0000 0.0000 61.8969 31.1184 174.9685 84 L 4.6194 8.1776 115.7199 54.0254 45.8343 175.5236 85 A 4.3346 8.4371 122.0586 52.4250 19.2099 176.7932 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 4.34 0.00 2.05 1.91 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 8.01 3.51 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 *3 H 8.38 4.81 0.00 2.94 2.86 0.00 7.15 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.35 4.49 0.00 1.72 0.83 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.95 7.81 5 K 8.54 4.82 0.00 1.77 1.65 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.11 0.78 7.81 6 G 8.47 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 7 L 8.11 4.77 0.00 1.62 1.40 0.92 0.73 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 8 G 8.57 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 9 S 8.00 4.23 0.00 3.64 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 10 T 7.94 4.22 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 11 R 8.13 4.48 0.00 1.76 1.90 0.00 3.21 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 12 N 7.96 5.06 0.00 2.64 2.69 0.00 0.00 7.14 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 13 G 7.86 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.57 4.19 0.00 2.00 2.02 0.00 3.34 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 15 D 7.74 4.67 0.00 2.67 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 16 S 8.06 4.77 0.00 3.89 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 8.35 4.04 0.00 2.16 2.11 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 2.33 2.36 0.00 18 A 8.63 3.90 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 8.77 4.23 0.00 1.76 1.85 0.00 1.94 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.40 7.81 20 R 7.71 3.69 0.00 1.91 1.94 0.00 3.36 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 21 L 7.27 4.31 0.00 1.64 1.64 0.92 1.14 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 9.08 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 23 V 7.89 3.46 1.65 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 0.43 0.00 0.00 0.68 0.00 0.00 24 K 8.81 4.37 0.00 1.63 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.47 7.81 25 R 7.40 4.58 0.00 1.69 1.78 0.00 3.34 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 26 Y 8.22 4.83 0.00 3.21 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 27 E 8.87 4.58 0.00 2.24 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 2.46 2.78 0.00 28 G 9.15 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 29 Q 7.83 4.58 0.00 2.33 2.09 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 2.39 2.40 0.00 30 V 8.54 3.80 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.35 4.65 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 0.82 0.00 0.00 0.98 0.00 0.00 32 R 8.65 4.84 0.00 1.88 1.84 0.00 3.16 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 33 A 8.85 3.99 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 34 G 8.78 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 0.00 0.00 0.00 35 N 8.26 4.23 0.00 2.70 2.81 0.00 0.00 6.73 7.33 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 36 I 8.48 4.29 1.89 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 1.60 1.03 0.88 0.00 0.00 37 L 9.52 4.60 0.00 1.50 1.54 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.43 4.44 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 0.77 0.00 0.00 0.72 0.00 0.00 39 R 8.84 5.07 0.00 1.74 1.82 0.00 3.34 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 40 Q 8.50 4.45 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 41 R 9.08 3.89 0.00 1.70 1.82 0.00 3.24 0.00 0.00 3.22 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 42 G 7.21 3.29 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 43 T 8.28 4.61 4.52 0.00 0.00 0.00 0.00 0.00 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 44 R 7.01 3.67 0.00 2.02 2.03 0.00 3.21 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 45 F 8.31 4.74 0.00 3.01 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 46 K 8.80 4.54 0.00 0.79 1.42 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.04 0.81 7.81 47 P 0.00 4.59 0.00 2.21 2.07 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 48 G 9.25 4.20 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 0.00 49 K 9.05 3.87 0.00 1.84 1.81 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.53 7.81 50 N 8.99 4.29 0.00 3.00 2.86 0.00 0.00 6.49 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 7.71 4.49 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 0.62 0.00 0.00 0.87 0.00 0.00 52 G 7.18 3.48 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 0.00 53 M 7.65 5.79 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 54 G 8.97 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.10 3.82 0.00 1.80 1.99 0.00 3.16 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 56 D 7.97 5.01 0.00 2.94 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 57 F 8.27 4.11 0.00 3.34 3.36 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 0.00 58 T 7.56 4.59 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 1.31 0.00 0.00 59 L 9.11 5.24 0.00 1.58 1.50 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.08 5.23 0.00 3.41 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 61 A 8.79 4.22 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 62 L 8.63 4.61 0.00 1.57 1.64 0.74 0.66 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 63 V 7.54 4.57 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 0.79 0.00 0.00 0.92 0.00 0.00 64 D 8.37 4.66 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 8.21 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 0.00 0.00 0.00 0.00 66 V 7.82 3.93 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 1.13 0.00 0.00 0.95 0.00 0.00 67 V 8.25 4.55 2.40 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 0.80 0.00 0.00 1.03 0.00 0.00 68 E 9.47 4.69 0.00 2.00 1.91 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 2.34 2.31 0.00 69 F 8.77 5.42 0.00 3.15 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 70 Q 9.36 4.63 0.00 2.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 71 D 8.96 5.49 0.00 2.78 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 8.95 4.75 0.00 1.88 1.80 0.00 3.33 0.00 0.00 2.92 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 73 G 8.62 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 74 R 9.13 3.96 0.00 1.82 2.07 0.00 3.38 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 75 L 8.35 4.08 0.00 1.83 1.85 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 G 6.63 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 77 R 7.83 5.16 0.00 1.06 1.68 0.00 2.77 0.00 0.00 2.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 78 Y 9.83 5.03 0.00 2.86 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 79 V 8.61 4.45 1.87 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 0.67 0.00 0.00 0.07 0.00 0.00 80 H 9.06 5.31 0.00 3.07 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.91 5.26 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 0.93 0.00 0.00 82 R 8.56 4.35 0.00 1.92 2.33 0.00 3.04 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 83 P 0.00 5.05 0.00 2.20 2.12 0.00 3.35 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 84 L 8.18 4.62 0.00 1.58 1.56 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.44 4.33 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.