NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3293 0.0000 0.0000 62.7134 31.5191 175.3518 3 R 4.3438 7.7968 126.2054 54.9153 32.5445 173.4555 4 S 4.6232 8.4541 113.1750 58.0625 65.8566 171.5105 5 L 4.3706 8.0273 127.8014 54.9998 48.4785 174.5766 6 K 4.1144 8.0091 120.6882 55.0530 29.0407 176.5218 7 K 4.0670 8.2525 126.4117 60.3331 33.9971 175.1514 8 G 2.8788 8.8998 117.6562 44.7431 0.0000 172.7209 9 V 3.5096 7.2810 120.0757 62.0961 32.2782 175.6901 10 F 4.3338 8.3434 125.6703 57.7048 40.0395 174.4580 11 V 4.8179 8.1519 121.9151 61.6481 34.6902 173.4324 12 D 4.5295 8.8285 128.0796 53.8278 41.5352 177.1808 13 D 4.4406 8.7326 124.1981 55.8918 38.2952 178.1791 14 H 4.1100 7.8310 118.5932 58.8645 28.3812 176.3300 15 L 4.5717 7.8564 119.7965 57.4476 41.2369 177.8934 16 L 3.9877 7.6179 121.4563 58.1533 41.7687 178.9801 17 E 4.0107 8.2843 117.1161 59.2214 30.1324 178.8657 18 K 3.9647 7.5535 121.0031 58.2692 31.8980 179.0915 19 V 3.7279 8.6759 120.0900 64.3705 32.0855 178.0558 20 L 4.1238 7.6006 121.0986 58.4516 39.8231 178.7729 21 E 3.9596 8.4337 120.2986 59.1023 29.2924 178.9971 22 L 4.2880 7.2787 113.7950 55.9149 41.5662 178.2560 23 N 4.6001 8.4515 117.4785 55.6454 39.1475 176.4880 24 A 4.1733 7.3566 119.8895 53.4517 18.6646 178.5139 25 K 4.0594 8.4870 115.2325 57.7929 31.8295 178.0930 26 G 4.2831 8.9539 112.3753 46.2523 0.0000 176.3811 27 E 4.6568 8.8243 117.6848 53.9569 30.5151 173.3938 28 K 4.1855 8.5710 120.8769 56.7371 32.3851 177.9915 29 R 3.3817 7.5766 119.0393 52.3885 32.6817 179.2535 30 L 4.5040 8.8102 109.8777 54.8159 42.5055 177.0812 31 I 4.4558 8.0596 121.0872 59.2476 39.7863 173.0364 32 K 3.9425 8.4897 124.8259 57.0327 32.1052 176.2649 33 T 4.9081 8.3195 120.8355 61.6901 72.7824 174.9143 34 W 4.5161 9.1441 121.1768 56.3900 30.9394 176.0652 35 S 4.5713 8.1473 113.4899 57.4325 60.9389 173.6340 36 R 4.2452 8.6942 127.8136 58.8360 30.4556 179.3338 37 R 3.9066 8.2622 112.8584 59.1426 29.1551 176.7803 38 S 4.2434 7.4771 113.0887 58.8270 63.0872 175.0066 39 T 4.1207 8.5120 122.3870 63.4869 69.0395 174.2778 40 I 4.0489 8.2916 127.2097 61.1873 37.5659 176.0760 41 V 4.4852 7.7986 119.6910 59.2651 34.8186 174.8055 42 P 4.1112 0.0000 0.0000 65.7446 31.5309 178.1753 43 E 4.0729 8.1771 111.7356 57.7916 29.4325 177.0308 44 M 4.5583 8.3471 120.9187 56.1808 34.0797 176.4442 45 V 3.6136 7.6815 117.1630 64.8031 31.7508 175.0873 46 G 4.0590 8.4792 115.0749 45.9540 0.0000 173.3636 47 H 4.7432 8.4011 116.9557 55.5869 30.0818 174.4409 48 T 4.7520 7.9942 115.1510 62.4397 70.7586 171.9655 49 I 4.2926 8.0586 125.9713 59.8253 38.9284 174.7898 50 A 4.3386 8.3901 130.0277 51.7815 18.7639 176.0527 51 V 4.3568 9.3506 124.3976 62.1047 33.3287 174.8617 52 Y 4.8493 8.2903 128.1855 56.9469 39.2400 174.8344 53 N 4.7338 7.9642 120.2582 51.7698 38.4156 174.2775 54 G 3.7563 6.0761 107.5765 45.6261 0.0000 174.9084 55 K 4.4530 7.6780 117.7336 56.2283 34.2630 175.3164 56 Q 4.7470 7.2642 115.4070 54.8502 33.9609 173.4825 57 H 5.1047 8.8513 117.6692 54.7015 29.8816 174.8152 58 V 4.3933 9.5303 118.8689 58.8172 33.5429 173.9781 59 P 4.7168 0.0000 0.0000 63.0565 31.8354 176.1808 60 V 4.2375 8.2452 126.1368 60.5571 32.3991 173.8658 61 Y 4.1897 8.5129 128.8372 57.6359 39.5408 175.0615 62 I 3.7011 7.7396 128.4910 60.4491 38.9660 175.6713 63 T 4.2332 7.6549 120.6900 59.8230 70.9940 174.5643 64 E 3.9011 8.3388 121.3001 59.4000 29.7312 178.3987 65 N 4.3877 8.0376 115.8479 55.2447 37.4206 175.4350 66 M 4.3426 7.8013 117.1347 56.7818 32.0815 178.1550 67 V 3.3423 7.3824 117.5118 66.3277 32.2699 177.1452 68 G 3.7421 7.9509 109.5618 48.7664 0.0000 173.6090 69 H 4.5147 7.6827 116.5792 55.5979 28.9123 175.2714 70 K 4.6736 8.6056 121.0737 55.6902 33.4560 178.6708 71 L 4.3282 8.4811 119.1872 58.2107 41.5358 179.9983 72 G 3.7569 8.2984 104.9700 47.7855 0.0000 174.9305 73 E 4.0126 7.6924 119.8430 58.1265 29.4278 177.4870 74 F 4.5226 8.3328 115.7110 56.9624 39.8452 175.9469 75 A 4.6185 7.6808 124.4002 48.6528 18.7044 173.1257 76 P 4.3304 0.0000 0.0000 62.8855 32.0475 178.0172 77 T 3.9610 8.4963 112.1854 63.4803 69.2570 174.5552 78 R 4.6200 7.6952 119.4336 54.5098 32.7024 175.0057 79 T 4.6155 8.2746 115.2421 61.9788 70.9545 173.2569 80 Y 4.6841 7.7713 126.4442 56.1223 42.2337 176.1239 81 R 2.9646 5.8400 126.9964 56.8471 28.7021 176.1068 *82 G 3.7389 7.7163 111.3707 45.8926 0.0000 171.2124 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 4.33 0.00 2.20 2.17 0.00 3.71 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 2.00 0.00 3 R 7.80 4.34 0.00 1.91 1.93 0.00 3.25 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 1.57 1.69 0.00 4 S 8.45 4.62 0.00 3.80 3.70 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 5 L 8.03 4.37 0.00 1.68 1.71 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.01 4.11 0.00 1.89 2.02 0.00 1.89 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.28 7.81 7 K 8.25 4.07 0.00 1.82 1.77 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 1.40 7.81 8 G 8.90 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 0.00 0.00 0.00 9 V 7.28 3.51 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 0.80 0.00 0.00 0.87 0.00 0.00 10 F 8.34 4.33 0.00 3.03 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 11 V 8.15 4.82 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 0.75 0.00 0.00 1.08 0.00 0.00 12 D 8.83 4.53 0.00 2.78 2.29 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 13 D 8.73 4.44 0.00 2.90 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 14 H 7.83 4.11 0.00 3.25 3.45 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.86 4.57 0.00 1.92 1.94 1.07 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.62 3.99 0.00 1.82 1.75 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.28 4.01 0.00 2.26 2.19 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 2.67 2.32 0.00 18 K 7.55 3.96 0.00 2.12 1.99 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.45 7.81 19 V 8.68 3.73 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 0.91 0.00 0.00 0.93 0.00 0.00 20 L 7.60 4.12 0.00 1.89 1.97 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.43 3.96 0.00 2.04 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 0.00 2.34 2.61 0.00 22 L 7.28 4.29 0.00 1.85 1.72 0.88 1.03 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 23 N 8.45 4.60 0.00 2.91 2.88 0.00 0.00 6.85 7.72 0.00 0.00 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 7.36 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.06 0.00 1.77 1.53 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.60 7.81 26 G 8.95 4.28 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 0.00 27 E 8.82 4.66 0.00 1.94 1.90 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 2.23 2.24 0.00 28 K 8.57 4.19 0.00 1.72 1.76 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 R 7.58 3.38 0.00 1.85 1.22 0.00 3.30 0.00 0.00 3.23 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 30 L 8.81 4.50 0.00 1.56 1.57 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.06 4.46 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.90 0.00 0.00 32 K 8.49 3.94 0.00 1.57 1.40 0.00 1.08 0.00 0.00 1.33 0.00 0.00 2.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.33 7.81 33 T 8.32 4.91 4.23 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 1.37 0.00 0.00 34 W 9.14 4.52 0.00 3.39 3.12 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 0.00 0.00 0.00 0.00 35 S 8.15 4.57 0.00 4.05 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 8.69 4.25 0.00 1.98 2.00 0.00 3.28 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 37 R 8.26 3.91 0.00 1.95 2.14 0.00 3.08 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 38 S 7.48 4.24 0.00 3.96 4.07 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 39 T 8.51 4.12 4.28 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 1.28 0.00 0.00 40 I 8.29 4.05 2.18 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.84 0.00 0.00 41 V 7.80 4.49 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 0.74 0.00 0.00 0.93 0.00 0.00 42 P 0.00 4.11 0.00 2.17 2.02 0.00 3.59 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 2.09 2.11 0.00 43 E 8.18 4.07 0.00 2.08 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 0.00 2.28 2.29 0.00 44 M 8.35 4.56 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 45 V 7.68 3.61 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 0.68 0.00 0.00 0.87 0.00 0.00 46 G 8.48 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.40 4.74 0.00 3.26 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.99 4.75 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 1.27 0.00 0.00 49 I 8.06 4.29 1.85 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 1.25 0.55 0.96 0.00 0.00 50 A 8.39 4.34 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.35 4.36 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 0.94 0.00 0.00 1.04 0.00 0.00 52 Y 8.29 4.85 0.00 2.32 2.56 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 0.00 0.00 0.00 0.00 53 N 7.96 4.73 0.00 2.67 2.73 0.00 0.00 6.24 7.00 0.00 0.00 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 6.08 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.68 4.45 0.00 1.58 1.63 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.38 7.81 56 Q 7.26 4.75 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 57 H 8.85 5.10 0.00 3.01 3.17 0.00 5.68 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 58 V 9.53 4.39 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 0.99 0.00 0.00 59 P 0.00 4.72 0.00 2.10 2.10 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 60 V 8.25 4.24 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 0.65 0.00 0.00 1.11 0.00 0.00 61 Y 8.51 4.19 0.00 2.97 2.92 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 62 I 7.74 3.70 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.93 0.81 0.00 0.00 63 T 7.65 4.23 4.17 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 1.13 0.00 0.00 64 E 8.34 3.90 0.00 2.03 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 2.36 2.35 0.00 65 N 8.04 4.39 0.00 2.89 2.97 0.00 0.00 6.03 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 7.80 4.34 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.23 0.00 67 V 7.38 3.34 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 0.75 0.00 0.00 0.97 0.00 0.00 68 G 7.95 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 69 H 7.68 4.51 0.00 3.61 3.61 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.61 4.67 0.00 1.98 1.83 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.66 7.81 71 L 8.48 4.33 0.00 1.96 1.77 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.30 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.69 4.01 0.00 2.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 74 F 8.33 4.52 0.00 3.00 3.10 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 75 A 7.68 4.62 1.23 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 0.00 0.00 76 P 0.00 4.33 0.00 2.16 2.04 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 77 T 8.50 3.96 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 7.70 4.62 0.00 1.80 1.91 0.00 3.14 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 1.54 1.60 0.00 79 T 8.27 4.62 4.25 0.00 0.00 0.00 0.00 0.00 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 7.77 4.68 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 5.84 2.96 0.00 0.67 0.66 0.00 3.27 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 *82 G 7.72 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.