NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3237 0.0000 0.0000 62.5613 32.5417 175.8539 3 R 4.2406 8.1396 118.8505 54.8925 31.7900 173.9815 4 S 4.7103 8.2022 112.1969 56.8972 66.6653 174.9469 5 L 4.7317 7.5892 123.0373 55.4848 45.2792 171.9885 6 K 4.5683 7.9931 123.1373 57.1391 40.3500 176.1483 7 K 4.2728 8.5082 130.3292 59.9703 34.5679 176.2896 8 G 4.0783 9.1624 115.1751 44.9521 0.0000 170.0592 9 V 3.7184 7.8695 121.0427 62.9913 31.5158 174.7498 10 F 4.2140 8.7300 129.1154 58.7150 40.6494 173.9547 11 V 4.3332 6.8816 122.8168 61.7891 33.4336 172.8221 12 D 4.1855 8.6292 128.1394 54.9777 41.2482 176.5363 13 D 4.5020 8.2580 120.2987 53.6536 40.0926 177.9022 14 H 4.1133 8.1978 118.2538 58.8076 28.7989 176.1453 15 L 4.6234 7.6905 116.2612 55.2760 41.8513 177.9493 16 L 3.8540 7.5188 123.3352 58.0384 42.0535 177.7778 17 E 4.5156 7.5739 113.0585 56.0518 29.7257 176.2471 18 K 4.4287 7.8142 119.7124 56.4253 34.2370 177.1509 19 V 4.1369 8.0691 118.5749 62.8123 32.4781 177.5861 20 L 4.2213 7.6723 119.9518 58.0069 40.3011 178.6677 21 E 4.0769 8.0520 118.9980 58.5531 29.6413 178.0078 22 L 4.1000 7.4387 116.8427 56.1736 41.6630 178.5021 23 N 4.5259 7.7583 117.1550 55.3289 38.7988 177.0839 24 A 4.2277 7.1563 117.7606 53.0266 17.6351 177.2159 25 K 4.4604 7.9307 115.8321 56.9734 34.8569 176.9024 26 G 3.8926 7.1830 112.0853 43.9131 0.0000 173.1330 27 E 5.6919 8.1481 135.0000 55.1184 31.9881 176.2718 28 K 4.2527 8.4502 127.4744 56.1870 33.1517 175.8145 29 R 4.5204 8.0830 119.7373 54.8584 32.3354 172.0332 30 L 4.2795 8.7020 130.8664 54.5598 43.4240 173.5418 31 I 4.3381 8.0858 122.9656 61.2148 40.4596 174.1876 32 K 4.3527 8.3080 118.8259 56.3646 31.7903 174.1530 33 T 5.0328 7.9913 116.7663 62.0210 72.5646 174.3118 34 W 4.0600 9.1695 121.6695 57.1347 29.7337 176.5743 35 S 4.6958 8.1331 113.9114 56.9377 61.7079 173.3110 36 R 4.5710 8.4289 124.2011 56.0119 30.2562 177.7669 37 R 4.2955 7.9750 114.6124 57.3892 30.4401 176.4462 38 S 4.6029 7.4781 117.3397 58.3649 64.4245 174.2749 39 T 4.4943 8.1269 119.1765 63.5312 69.5566 174.9346 40 I 4.1779 7.9041 125.3340 60.3162 37.1925 176.5678 41 V 3.9581 8.2571 120.7959 59.6841 32.2839 174.6734 42 P 3.7819 0.0000 0.0000 66.0267 31.7888 177.7698 43 E 3.9620 8.3101 123.3261 59.8997 29.7372 178.7134 44 M 4.2271 8.0133 117.8693 56.4884 31.9421 176.5136 45 V 3.7383 7.4483 119.3023 63.5241 32.4772 175.5982 46 G 4.2950 8.6349 116.6617 46.5345 0.0000 174.2920 47 H 4.3884 6.7168 116.6554 56.3308 29.1429 174.3335 48 T 4.7416 8.2634 116.6740 63.5134 71.5923 172.7871 49 I 4.6798 8.2478 126.9023 59.6068 39.7506 174.7714 50 A 5.4991 8.5618 126.8398 49.6850 21.5731 175.7831 51 V 4.6263 8.3341 120.2639 61.2266 34.9678 173.7717 52 Y 4.8891 7.8297 127.3086 56.2077 39.2499 175.8121 53 N 4.0737 8.8584 126.0377 56.1238 38.7123 176.0117 54 G 3.3764 5.7009 112.9106 45.0050 0.0000 172.5170 55 K 4.3614 5.9858 118.8503 57.4170 37.4227 174.6803 56 Q 4.7282 7.0356 118.5079 55.5859 32.5464 172.3022 57 H 5.3742 8.8243 122.4114 54.8565 30.3950 174.8758 58 V 4.5285 8.6475 116.6571 58.6032 34.9131 173.8477 59 P 4.6563 0.0000 0.0000 63.4373 29.6676 173.7419 60 V 4.1762 8.3328 126.1981 62.2997 33.1246 173.5688 61 Y 4.7644 8.4980 130.4173 55.8946 39.3179 175.0428 62 I 3.5747 7.2715 126.9429 61.6005 38.8345 174.9097 63 T 4.3893 7.6631 121.9600 61.3594 72.3942 172.6785 64 E 3.7686 8.5452 122.8616 57.8444 30.2690 179.9757 65 N 4.0061 7.5707 114.7794 55.9306 39.5972 176.8304 66 M 4.3752 7.8696 116.3811 55.3289 31.8703 176.7817 67 V 4.1676 7.4945 119.5620 60.4888 29.9807 175.9774 68 G 5.0292 7.1953 121.5537 46.6309 0.0000 170.6542 69 H 4.8393 7.1163 116.7304 54.8207 30.1755 175.0159 70 K 4.6042 7.9911 118.6041 55.7407 33.0831 178.5043 71 L 4.1959 8.6068 121.8363 58.0422 41.6636 180.0082 72 G 3.6887 8.1545 106.2794 47.7159 0.0000 173.4029 73 E 4.3339 8.1362 119.8726 56.0208 29.3727 176.2241 74 F 4.4101 8.5080 114.4058 56.5535 41.0356 174.7902 75 A 4.5295 7.9244 123.3794 49.1441 18.5556 174.3515 76 P 4.1647 0.0000 0.0000 64.6295 31.3725 176.4386 77 T 4.0193 8.3248 118.3113 64.7719 68.3799 175.8928 78 R 4.3147 7.4872 125.7414 56.6118 30.9002 176.8788 79 T 4.1829 8.1600 111.4958 62.5240 70.0512 171.9886 80 Y 4.5849 8.4889 127.7628 57.0369 41.3738 175.6015 81 R 2.9773 7.5616 124.3095 57.0318 28.1445 175.9137 *82 G 3.7389 7.6480 111.2453 45.8567 0.0000 171.1143 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 P 0.00 4.32 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 R 8.14 4.24 0.00 1.91 1.95 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 4 S 8.20 4.71 0.00 3.78 3.68 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 5 L 7.59 4.73 0.00 1.78 1.54 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.99 4.57 0.00 1.71 1.58 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81 7 K 8.51 4.27 0.00 1.81 1.78 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.45 7.81 8 G 9.16 4.08 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 0.00 0.00 0.00 9 V 7.87 3.72 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 0.80 0.00 0.00 0.95 0.00 0.00 10 F 8.73 4.21 0.00 3.22 2.94 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 0.00 0.00 0.00 0.00 11 V 6.88 4.33 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 0.69 0.00 0.00 1.03 0.00 0.00 12 D 8.63 4.19 0.00 2.84 2.52 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 0.00 13 D 8.26 4.50 0.00 2.78 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 14 H 8.20 4.11 0.00 3.20 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.69 4.62 0.00 1.83 1.90 0.91 0.23 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 16 L 7.52 3.85 0.00 2.02 1.63 0.88 0.73 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 17 E 7.57 4.52 0.00 2.18 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 2.47 2.21 0.00 18 K 7.81 4.43 0.00 1.81 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.30 1.38 7.81 19 V 8.07 4.14 2.07 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 0.89 0.00 0.00 0.70 0.00 0.00 20 L 7.67 4.22 0.00 1.88 1.95 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.05 4.08 0.00 2.02 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 0.00 2.38 2.47 0.00 22 L 7.44 4.10 0.00 1.86 1.71 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.76 4.53 0.00 2.90 2.86 0.00 0.00 6.75 7.78 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 24 A 7.16 4.23 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 25 K 7.93 4.46 0.00 1.68 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.53 7.81 26 G 7.18 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 27 E 8.15 5.69 0.00 1.99 1.93 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 2.09 2.08 0.00 28 K 8.45 4.25 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.48 7.81 29 R 8.08 4.52 0.00 1.79 1.81 0.00 3.44 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 30 L 8.70 4.28 0.00 1.80 1.69 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.09 4.34 1.89 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 1.70 1.04 0.92 0.00 0.00 32 K 8.31 4.35 0.00 1.70 1.77 0.00 1.17 0.00 0.00 2.29 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.46 7.81 33 T 7.99 5.03 4.35 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 1.39 0.00 0.00 34 W 9.17 4.06 0.00 3.25 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 35 S 8.13 4.70 0.00 4.00 3.94 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 0.00 0.00 0.00 0.00 36 R 8.43 4.57 0.00 2.16 2.19 0.00 3.05 0.00 0.00 3.41 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 37 R 7.97 4.30 0.00 2.07 2.19 0.00 3.77 0.00 0.00 3.57 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 38 S 7.48 4.60 0.00 3.98 4.08 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 39 T 8.13 4.49 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 1.25 0.00 0.00 40 I 7.90 4.18 2.04 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.89 0.00 0.00 41 V 8.26 3.96 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 0.74 0.00 0.00 0.95 0.00 0.00 42 P 0.00 3.78 0.00 2.16 1.93 0.00 3.61 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 2.11 2.11 0.00 43 E 8.31 3.96 0.00 2.08 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 2.29 2.31 0.00 44 M 8.01 4.23 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 45 V 7.45 3.74 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 0.65 0.00 0.00 0.91 0.00 0.00 46 G 8.63 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 47 H 6.72 4.39 0.00 3.22 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.26 4.74 4.41 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 1.34 0.00 0.00 49 I 8.25 4.68 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.94 0.00 0.00 50 A 8.56 5.50 1.26 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 0.00 0.00 0.00 51 V 8.33 4.63 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 1.10 0.00 0.00 0.99 0.00 0.00 52 Y 7.83 4.89 0.00 2.61 2.43 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 53 N 8.86 4.07 0.00 2.43 2.69 0.00 0.00 7.00 8.40 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 54 G 5.70 3.38 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 0.00 55 K 5.99 4.36 0.00 1.57 1.59 0.00 1.59 0.00 0.00 1.08 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.33 7.81 56 Q 7.04 4.73 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 57 H 8.82 5.37 0.00 3.10 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.65 4.53 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 59 P 0.00 4.66 0.00 2.10 2.13 0.00 3.78 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 2.02 1.99 0.00 60 V 8.33 4.18 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 0.90 0.00 0.00 1.05 0.00 0.00 61 Y 8.50 4.76 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.27 3.57 1.66 0.00 0.00 0.60 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 0.55 0.67 0.00 0.00 63 T 7.66 4.39 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 1.22 0.00 0.00 64 E 8.55 3.77 0.00 2.01 1.76 0.00 0.00 0.00 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 2.36 0.00 65 N 7.57 4.01 0.00 3.00 3.04 0.00 0.00 5.74 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 66 M 7.87 4.38 0.00 2.39 2.34 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 2.38 2.34 0.00 67 V 7.49 4.17 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 0.74 0.00 0.00 1.02 0.00 0.00 68 G 7.20 5.03 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 0.00 0.00 0.00 69 H 7.12 4.84 0.00 3.71 3.71 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.99 4.60 0.00 1.92 1.82 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.49 7.81 71 L 8.61 4.20 0.00 1.82 1.81 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.15 3.69 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 0.00 0.00 0.00 73 E 8.14 4.33 0.00 1.91 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 0.00 1.73 2.05 0.00 74 F 8.51 4.41 0.00 3.17 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 75 A 7.92 4.53 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 76 P 0.00 4.16 0.00 2.18 2.10 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 77 T 8.32 4.02 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 1.18 0.00 0.00 78 R 7.49 4.31 0.00 1.85 1.81 0.00 3.28 0.00 0.00 3.26 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 79 T 8.16 4.18 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 1.20 0.00 0.00 80 Y 8.49 4.58 0.00 2.85 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 81 R 7.56 2.98 0.00 0.67 1.02 0.00 3.20 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 *82 G 7.65 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.