NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6342 8.1476 118.3356 54.9123 33.3498 174.2112 2 V 4.1568 8.2304 118.8430 61.4894 32.7490 173.4878 3 K 4.8433 10.1300 121.7029 55.4282 38.1591 176.1339 4 I 5.0051 7.9910 121.0078 59.9457 40.4539 175.4565 5 R 4.7597 8.7080 122.4690 56.6555 33.3773 173.3466 6 L 5.0164 8.5756 119.3924 53.5836 42.4883 176.9474 7 A 4.4278 9.1111 128.5319 50.7301 19.3107 176.7279 8 R 4.0237 8.4972 122.3403 57.4861 31.1922 175.2145 9 F 4.5175 8.1596 120.9430 57.2097 43.3935 173.0655 10 G 4.0217 8.7402 109.7438 44.8065 0.0000 173.4412 11 S 4.0992 8.2935 115.9508 57.3486 63.7932 174.2781 12 K 4.0899 8.2919 122.7125 58.3018 32.2256 176.3188 13 H 4.2525 8.9512 120.8855 56.5444 26.5415 174.5964 14 N 5.0648 7.9657 115.7527 51.3685 38.7803 172.3988 15 P 4.1499 0.0000 0.0000 63.9344 32.7539 176.5682 16 H 4.5982 7.7648 112.4457 54.0570 30.1959 173.6451 17 Y 4.6247 7.5572 117.2991 58.5531 39.8011 176.6822 18 R 4.8806 9.3638 120.6724 54.7211 33.6524 174.5343 19 I 4.6231 8.4616 127.7505 60.9531 37.4369 175.2029 20 V 4.7417 8.6812 126.2349 59.8887 35.5588 174.5488 21 V 5.2630 8.3957 115.1551 59.5635 33.5626 175.4470 22 T 4.9469 7.9381 114.1367 60.2563 73.0652 171.6320 23 D 4.7856 8.6799 120.8728 53.6169 41.6327 177.1010 24 A 3.3273 8.6335 130.1151 55.0979 18.5414 178.0996 25 R 4.4272 7.7294 112.1555 56.0999 30.4508 176.9497 26 R 4.2284 8.5561 119.2070 55.4611 30.9335 176.1006 27 K 4.2562 8.7801 118.9457 56.7301 33.5028 177.6920 28 R 3.0941 7.4059 116.1431 58.6074 32.2157 175.7988 29 D 4.6347 7.9958 120.7675 54.2382 41.7109 177.2734 30 G 3.9590 7.8832 114.4465 45.3488 0.0000 173.2466 31 K 4.2032 8.5839 124.0054 55.2526 33.1215 176.1163 32 Y 4.8594 7.7523 124.2157 54.9969 40.0967 175.3138 33 I 3.9442 8.5203 125.7734 64.0862 37.6405 176.0502 34 E 4.8804 7.8136 120.7185 54.9321 33.0420 173.3234 35 K 4.4106 8.8222 128.5327 55.3666 33.3416 176.2531 36 I 4.7326 9.5632 121.0244 58.5497 39.0363 175.6585 37 G 3.9932 7.4297 110.9281 46.5340 0.0000 170.8894 38 Y 5.1399 7.2804 116.6530 56.4068 42.3624 173.8372 39 Y 5.1202 8.7309 119.4302 57.3356 42.6608 172.8111 40 D 4.7116 9.5592 129.0993 51.9044 41.6098 175.1214 41 P 5.1528 0.0000 0.0000 64.1077 31.7222 177.3312 42 R 4.2559 8.3757 117.7359 55.7514 30.9829 176.8989 43 K 4.0031 8.4419 117.0390 57.2781 30.1981 176.3831 44 T 4.3509 7.4611 103.5838 62.1020 68.1739 174.0726 45 T 4.7278 8.3585 118.6985 61.8769 72.3807 173.2721 46 P 4.5127 0.0000 0.0000 64.3424 31.4080 176.9903 47 D 4.9589 8.3963 118.5690 53.4683 42.4062 174.8901 48 W 4.5532 9.0141 121.5453 59.3894 29.6057 177.6987 49 L 4.6885 6.1919 121.5996 52.9884 43.3627 175.0724 50 K 3.9390 7.6205 121.2413 56.1012 36.4062 174.2874 51 V 4.6720 8.2044 126.8344 61.8295 32.5183 172.0321 52 D 4.2827 8.6412 126.7079 55.1005 41.5898 177.0569 53 V 4.0179 8.4444 117.8947 62.9085 33.3253 177.7134 54 E 3.9046 8.4026 118.3905 59.6671 29.3965 179.4154 55 R 4.0129 8.3765 117.4089 59.2477 30.2848 178.5381 56 A 4.1390 7.6922 119.6471 55.5885 18.2064 179.8307 57 R 3.7739 8.5293 116.5443 59.6252 30.1830 178.3318 58 Y 3.9007 7.8636 120.3956 60.0383 38.5366 178.1360 59 W 4.3243 8.0589 118.0778 60.0175 29.2735 178.1259 60 L 4.2276 7.7711 118.0790 57.6128 41.4815 179.2083 61 S 4.1991 8.2803 114.7580 60.1866 63.6768 174.7680 62 V 4.3397 7.1149 113.8855 60.4595 31.3678 174.4805 63 G 3.7744 7.9426 108.3868 46.3694 0.0000 172.5750 64 A 4.5598 8.5726 126.6352 51.7630 19.9262 176.3905 65 Q 3.8193 8.0570 120.2273 56.2543 28.7447 176.0982 66 P 4.9309 0.0000 0.0000 60.7693 33.2146 175.4132 67 T 3.9614 8.0481 110.6820 62.0716 68.6377 173.8018 68 D 4.4089 8.1499 120.8217 57.3407 40.5649 178.2601 69 T 3.8786 7.7806 114.5023 63.9999 67.9685 175.2213 70 A 4.3243 7.5591 121.5814 55.3771 19.6714 178.8150 71 R 3.9551 8.3621 117.4870 60.2991 29.9475 177.7562 72 R 3.7736 8.3296 117.9837 59.6110 28.5778 178.0060 73 L 3.7772 7.8463 117.8981 58.1846 41.8139 179.6564 74 L 4.2886 7.8805 118.0241 57.0747 41.0930 179.4471 75 R 4.4006 8.2299 119.0245 59.4993 30.0464 177.9260 76 Q 4.1925 8.4521 115.0732 57.1635 28.8206 175.8161 77 A 4.4026 6.8569 119.3975 51.3835 19.9440 175.4609 78 G 3.8539 9.2659 110.7270 46.6852 0.0000 173.7510 79 V 4.1719 8.0838 120.8679 61.8094 33.3721 176.2440 80 F 4.6474 8.0066 116.0154 58.2087 40.5188 176.1147 81 R 4.1563 7.9795 119.6680 57.0139 30.1501 175.6737 82 Q 4.5875 8.2038 115.4520 54.7072 33.5400 177.4896 83 E 3.4869 8.7045 117.5344 57.3356 28.2932 174.1100 *84 A 4.1104 9.2015 129.2443 53.1609 18.9361 177.7426 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 8.15 4.63 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 2 V 8.23 4.16 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 0.78 0.00 0.00 0.80 0.00 0.00 3 K 10.13 4.84 0.00 1.62 1.69 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.42 7.81 4 I 7.99 5.01 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.92 0.00 0.00 5 R 8.71 4.76 0.00 1.86 2.03 0.00 3.05 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 6 L 8.58 5.02 0.00 1.59 1.94 1.03 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 A 9.11 4.43 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.50 4.02 0.00 1.63 1.58 0.00 3.06 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.00 9 F 8.16 4.52 0.00 3.09 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 10 G 8.74 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 11 S 8.29 4.10 0.00 3.90 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 12 K 8.29 4.09 0.00 1.64 1.65 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.03 1.30 7.81 13 H 8.95 4.25 0.00 3.37 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.97 5.06 0.00 2.67 2.92 0.00 0.00 7.05 7.05 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 15 P 0.00 4.15 0.00 2.11 1.91 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 16 H 7.76 4.60 0.00 3.16 3.28 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.56 4.62 0.00 2.99 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 18 R 9.36 4.88 0.00 2.02 1.85 0.00 2.84 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 19 I 8.46 4.62 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.91 0.00 0.00 20 V 8.68 4.74 1.56 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 0.72 0.00 0.00 0.53 0.00 0.00 21 V 8.40 5.26 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 0.40 0.00 0.00 0.14 0.00 0.00 22 T 7.94 4.95 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 1.35 0.00 0.00 23 D 8.68 4.79 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 3.33 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 R 7.73 4.43 0.00 1.82 1.96 0.00 3.17 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 1.60 1.79 0.00 26 R 8.56 4.23 0.00 1.83 1.88 0.00 3.55 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 27 K 8.78 4.26 0.00 1.92 1.92 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 28 R 7.41 3.09 0.00 1.81 1.70 0.00 3.28 0.00 0.00 3.24 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 29 D 8.00 4.63 0.00 2.56 2.35 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 30 G 7.88 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 31 K 8.58 4.20 0.00 1.67 1.70 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.30 7.81 32 Y 7.75 4.86 0.00 2.98 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 33 I 8.52 3.94 1.68 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 1.09 0.64 0.87 0.00 0.00 34 E 7.81 4.88 0.00 2.23 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 35 K 8.82 4.41 0.00 1.23 1.67 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.26 7.81 36 I 9.56 4.73 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 1.11 0.00 0.00 37 G 7.43 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 38 Y 7.28 5.14 0.00 3.14 2.99 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 39 Y 8.73 5.12 0.00 2.97 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 40 D 9.56 4.71 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 5.15 0.00 2.28 2.07 0.00 3.30 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 42 R 8.38 4.26 0.00 1.92 1.98 0.00 3.27 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 43 K 8.44 4.00 0.00 1.40 0.95 0.00 1.24 0.00 0.00 1.13 0.00 0.00 2.20 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.92 7.81 44 T 7.46 4.35 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 1.26 0.00 0.00 45 T 8.36 4.73 4.40 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 1.35 0.00 0.00 46 P 0.00 4.51 0.00 2.25 2.23 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 47 D 8.40 4.96 0.00 2.75 2.70 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 48 W 9.01 4.55 0.00 3.95 3.39 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 49 L 6.19 4.69 0.00 0.66 0.51 0.68 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.62 3.94 0.00 1.36 0.74 0.00 1.26 0.00 0.00 1.29 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.97 1.14 7.81 51 V 8.20 4.67 1.94 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 0.96 0.00 0.00 0.82 0.00 0.00 52 D 8.64 4.28 0.00 2.79 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 V 8.44 4.02 1.98 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 0.77 0.00 0.00 0.87 0.00 0.00 54 E 8.40 3.90 0.00 2.04 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 2.29 2.34 0.00 55 R 8.38 4.01 0.00 1.92 2.20 0.00 3.27 0.00 0.00 3.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 56 A 7.69 4.14 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.53 3.77 0.00 1.99 1.96 0.00 3.24 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 58 Y 7.86 3.90 0.00 2.78 2.81 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 59 W 8.06 4.32 0.00 3.41 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 60 L 7.77 4.23 0.00 1.78 1.78 0.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.28 4.20 0.00 3.88 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 0.00 62 V 7.11 4.34 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 0.55 0.00 0.00 0.33 0.00 0.00 63 G 7.94 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 0.00 0.00 0.00 64 A 8.57 4.56 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 65 Q 8.06 3.82 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 66 P 0.00 4.93 0.00 2.23 2.09 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 67 T 8.05 3.96 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 1.22 0.00 0.00 68 D 8.15 4.41 0.00 2.70 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 69 T 7.78 3.88 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 70 A 7.56 4.32 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 71 R 8.36 3.96 0.00 1.91 2.13 0.00 3.02 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 72 R 8.33 3.77 0.00 1.87 1.81 0.00 3.16 0.00 0.00 3.14 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 73 L 7.85 3.78 0.00 1.78 1.53 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.88 4.29 0.00 2.23 1.58 1.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.23 4.40 0.00 1.98 2.12 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 76 Q 8.45 4.19 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 77 A 6.86 4.40 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 78 G 9.27 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 79 V 8.08 4.17 1.36 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 0.37 0.00 0.00 0.79 0.00 0.00 80 F 8.01 4.65 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.16 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 82 Q 8.20 4.59 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.03 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 83 E 8.70 3.49 0.00 2.12 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 *84 A 9.20 4.11 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 * Residues marked with a * may have inaccurate shift predictions.