NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6838 8.3049 120.2813 55.1991 33.7669 174.2158 2 K 4.5924 8.6805 119.8537 54.2877 35.9339 173.6880 3 I 4.9000 9.1630 125.2008 60.8602 38.7012 174.7829 4 M 5.2660 9.4096 125.4480 54.0244 37.3041 173.4567 5 Q 4.5231 9.1418 121.7589 53.9600 31.9152 174.7424 6 V 3.8238 8.2398 126.6858 63.2208 32.0983 175.7395 7 E 3.8664 8.5603 130.3113 57.5336 30.1873 175.7680 8 K 4.3025 7.0227 115.6516 56.1752 35.6838 173.8625 9 T 4.3816 8.3957 117.5663 63.3868 69.2673 174.2275 10 L 4.3186 8.6168 128.8508 53.8414 42.9619 176.1014 11 V 4.0128 8.3198 127.1116 61.5699 31.6921 175.4341 12 S 4.4679 8.2127 121.8588 56.5881 63.2041 173.4974 13 T 3.9173 8.4966 123.5151 66.2966 68.4442 175.4573 14 N 4.6270 7.8566 122.5890 52.2151 37.5142 173.5845 15 R 4.7405 7.7872 119.4246 53.2519 33.2198 175.5367 16 I 3.8275 8.0115 111.3947 60.5790 38.4269 177.0390 17 A 4.0161 8.5185 124.8198 55.3882 18.4568 179.6733 18 D 4.4065 8.0147 114.5207 57.4217 41.3017 177.7419 19 M 3.9052 7.3703 117.6480 55.1725 33.0246 177.6825 20 G 3.8603 7.7698 108.1282 47.3239 0.0000 174.0652 21 H 4.9388 8.4799 120.1434 54.9535 28.9402 174.4906 22 K 4.1326 7.4947 119.1626 56.0057 32.4641 175.2289 23 P 4.5021 0.0000 0.0000 62.8681 32.9113 174.8539 24 L 5.2014 8.4974 121.7126 53.0413 44.5366 175.2104 25 L 5.1033 8.7659 123.1048 52.6977 45.5916 175.8679 26 V 4.1672 8.7480 123.5772 62.7851 32.6133 175.3544 27 V 4.8849 8.9313 120.6064 59.5078 36.2555 174.3976 28 W 5.4840 8.5549 118.1805 55.2929 31.1740 175.8611 29 E 4.4922 9.2302 121.1448 59.4117 29.4903 177.1339 30 K 4.4210 7.5974 114.9905 54.9158 34.8735 172.6077 31 P 2.0000 0.0000 0.0000 63.7489 31.3694 177.0417 32 G 3.7325 7.5430 110.7970 45.1264 0.0000 173.5318 33 A 4.2820 7.0800 121.7524 50.4937 19.2399 175.4633 34 P 4.3736 0.0000 0.0000 63.1539 31.8253 176.9359 35 R 4.5335 8.5582 121.9638 56.4888 31.1253 175.5800 36 Q 4.7308 9.1934 120.9028 54.2529 33.9537 173.8872 37 V 4.9239 8.3464 118.7981 61.2071 34.1294 174.3769 38 A 5.1587 8.8873 128.8956 49.8282 22.6255 175.4159 39 V 4.1462 8.4698 120.8646 61.5847 33.1391 174.9766 40 D 4.8519 8.9513 125.1021 53.2944 41.0260 175.3926 41 A 4.4580 8.3056 127.5109 52.0949 19.1723 176.8593 42 I 4.1090 8.1185 116.1166 63.4752 39.2817 176.7172 43 G 4.2173 8.5634 110.2742 46.2878 0.0000 172.3366 44 C 5.0180 9.3639 121.8937 57.9995 31.7364 173.3427 45 I 4.6400 8.3202 113.8200 57.8619 40.2019 173.2432 46 P 4.4041 0.0000 0.0000 64.5700 31.5265 175.8364 47 G 4.0376 8.8694 110.4741 45.4821 0.0000 174.0955 48 D 4.4941 7.7306 119.2472 54.5925 42.0513 175.9712 49 W 4.9609 8.8717 122.5967 56.0105 30.9235 175.7797 50 V 4.9939 9.6292 117.4420 59.5687 36.0815 174.0076 51 L 4.9837 8.8876 125.6074 54.0647 43.8346 174.9670 52 C 5.5109 9.0571 123.8468 57.8777 31.6428 173.2862 53 V 4.6464 8.9162 123.0363 60.1556 33.8256 175.5992 54 G 4.7651 8.2435 111.9668 45.8091 0.0000 172.6319 55 S 3.6016 8.5628 113.8953 58.8426 61.8144 173.9518 56 S 4.2521 8.5535 109.8063 61.3256 62.9046 176.0384 57 A 4.0067 8.0813 123.9795 54.8812 18.1133 179.1156 58 A 4.0193 7.7583 118.5498 55.2768 18.1948 180.0234 59 R 3.9549 7.8270 116.9497 59.5700 30.3150 178.8058 60 E 3.9478 8.1594 118.2897 59.1611 29.5022 178.4698 61 A 3.9801 7.9112 120.0383 55.0930 18.5080 179.0569 62 A 3.9422 7.5664 117.5751 53.1721 18.5617 177.0936 63 G 3.3914 6.5668 106.0744 45.3285 0.0000 174.0823 64 S 4.6217 7.9482 114.5340 56.8219 65.6457 175.4302 65 K 3.9709 8.8467 126.6608 58.9603 31.9246 177.7541 66 S 4.5785 7.7890 111.4620 57.9366 63.8125 173.6681 67 Y 3.9988 8.0631 124.7317 57.0344 39.0715 173.6194 68 P 4.7300 0.0000 0.0000 61.6901 29.8081 174.3859 69 S 4.7217 7.9751 118.7815 57.4960 65.9953 173.0290 70 D 4.8959 8.6030 124.4176 52.5955 39.9953 174.9423 71 L 4.6579 7.7582 122.2077 55.1689 45.4597 173.9644 72 T 5.1459 8.9978 123.5621 61.6370 72.6569 173.4625 73 I 4.4799 8.8525 128.0348 61.3191 37.7919 176.3050 74 I 4.4781 8.5782 120.4663 60.4459 38.6433 175.5081 75 G 4.1598 7.7095 108.0513 45.8487 0.0000 172.1975 76 I 4.8250 8.2972 122.0874 59.4641 38.9441 175.4528 77 I 4.0975 8.7149 129.0284 60.7086 37.0516 176.1982 78 D 4.3439 9.1519 129.8690 57.7363 40.9689 177.3186 79 Q 4.2308 8.1134 120.0416 54.6759 28.1133 179.4651 *80 W 4.5833 8.5412 123.6132 55.4375 29.1879 172.0644 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 4.68 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 2 K 8.68 4.59 0.00 1.73 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.52 7.81 3 I 9.16 4.90 1.96 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 1.40 0.56 1.07 0.00 0.00 4 M 9.41 5.27 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 5 Q 9.14 4.52 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 1.90 1.63 0.00 6 V 8.24 3.82 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 0.79 0.00 0.00 0.83 0.00 0.00 7 E 8.56 3.87 0.00 1.16 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 1.93 1.66 0.00 8 K 7.02 4.30 0.00 1.71 1.72 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.65 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.09 1.25 7.81 9 T 8.40 4.38 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 1.23 0.00 0.00 10 L 8.62 4.32 0.00 1.55 1.68 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.32 4.01 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 0.82 0.00 0.00 0.91 0.00 0.00 12 S 8.21 4.47 0.00 3.79 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 13 T 8.50 3.92 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 14 N 7.86 4.63 0.00 2.65 2.75 0.00 0.00 6.71 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 15 R 7.79 4.74 0.00 1.87 1.82 0.00 3.09 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 16 I 8.01 3.83 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.87 0.00 0.00 17 A 8.52 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.41 0.00 2.52 2.55 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 19 M 7.37 3.91 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.25 0.00 20 G 7.77 3.86 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 0.00 0.00 0.00 21 H 8.48 4.94 0.00 3.20 3.39 0.00 5.73 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.49 4.13 0.00 1.89 1.68 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.32 1.49 7.81 23 P 0.00 4.50 0.00 2.09 2.16 0.00 3.74 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 2.05 1.99 0.00 24 L 8.50 5.20 0.00 1.58 1.58 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.77 5.10 0.00 1.46 1.40 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.75 4.17 1.82 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 0.83 0.00 0.00 0.82 0.00 0.00 27 V 8.93 4.88 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 0.63 0.00 0.00 0.92 0.00 0.00 28 W 8.55 5.48 0.00 3.38 3.21 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 29 E 9.23 4.49 0.00 2.07 2.17 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 2.57 2.40 0.00 30 K 7.60 4.42 0.00 1.87 2.01 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.29 7.81 31 P 0.00 2.00 0.00 1.70 1.55 0.00 3.53 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 32 G 7.54 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 33 A 7.08 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.11 2.07 0.00 3.73 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 2.07 2.15 0.00 35 R 8.56 4.53 0.00 1.74 1.84 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 36 Q 9.19 4.73 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 37 V 8.35 4.92 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 0.78 0.00 0.00 0.90 0.00 0.00 38 A 8.89 5.16 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 39 V 8.47 4.15 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 0.93 0.00 0.00 0.75 0.00 0.00 40 D 8.95 4.85 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.46 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 42 I 8.12 4.11 1.97 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 1.34 1.05 0.91 0.00 0.00 43 G 8.56 4.22 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 0.00 44 C 9.36 5.02 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 45 I 8.32 4.64 1.85 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 1.43 0.72 0.89 0.00 0.00 46 P 0.00 4.40 0.00 2.01 2.18 0.00 3.59 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 1.98 2.02 0.00 47 G 8.87 4.04 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 0.00 0.00 0.00 48 D 7.73 4.49 0.00 2.70 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 49 W 8.87 4.96 0.00 3.36 3.19 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 0.00 0.00 0.00 50 V 9.63 4.99 2.17 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 0.69 0.00 0.00 0.99 0.00 0.00 51 L 8.89 4.98 0.00 1.79 1.56 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.06 5.51 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.65 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 0.94 0.00 0.00 54 G 8.24 4.77 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 55 S 8.56 3.60 0.00 4.04 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.55 4.25 0.00 4.10 4.12 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 57 A 8.08 4.01 1.39 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 0.00 0.00 58 A 7.76 4.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.83 3.95 0.00 1.86 2.26 0.00 3.16 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 60 E 8.16 3.95 0.00 2.04 1.95 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 2.38 2.38 0.00 61 A 7.91 3.98 1.39 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 0.00 0.00 62 A 7.57 3.94 0.93 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 63 G 6.57 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 0.00 0.00 0.00 64 S 7.95 4.62 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 3.97 0.00 1.80 1.89 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.45 7.81 66 S 7.79 4.58 0.00 4.00 3.97 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 0.00 0.00 0.00 0.00 67 Y 8.06 4.00 0.00 3.06 3.08 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 68 P 0.00 4.73 0.00 2.03 1.87 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 69 S 7.98 4.72 0.00 4.14 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 70 D 8.60 4.90 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.76 4.66 0.00 1.73 1.68 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 T 9.00 5.15 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 1.19 0.00 0.00 73 I 8.85 4.48 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.91 0.00 0.00 74 I 8.58 4.48 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.97 0.00 0.00 75 G 7.71 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 76 I 8.30 4.83 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 1.02 0.00 0.00 77 I 8.71 4.10 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.93 0.00 0.00 78 D 9.15 4.34 0.00 2.68 2.75 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 79 Q 8.11 4.23 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.83 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 *80 W 8.54 4.58 0.00 2.47 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.