NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3314 8.2393 117.2840 55.7733 30.9307 175.3235 3 S 4.4377 7.9148 109.6272 59.2382 64.7255 174.6279 4 L 4.4240 9.0230 122.1315 54.6017 44.2265 179.8235 5 K 3.4884 7.7158 117.0488 57.3495 31.0457 177.6081 6 K 4.0486 8.6934 129.2181 58.7966 31.8975 176.3345 7 G 3.8441 8.8072 113.0366 44.8414 0.0000 169.7912 8 P 4.3420 0.0000 0.0000 63.2944 32.2400 175.5809 9 F 4.8120 8.9072 124.4138 56.2370 41.0822 174.3325 10 I 4.3129 7.0915 119.6018 58.5197 40.5889 174.2990 11 D 4.2542 7.8947 120.1932 53.7404 41.2273 176.4186 12 L 4.2329 7.8699 120.5858 55.7614 42.1381 177.6494 13 H 4.5465 7.7215 114.1579 58.1055 28.9463 175.4221 14 L 4.7671 7.2373 120.7154 55.3491 40.8160 176.4632 15 L 4.3871 7.9110 118.8362 57.9870 43.9260 177.7559 16 K 4.1436 7.9842 113.7889 57.5820 31.5016 177.5666 17 K 4.2758 7.3634 118.8983 57.9551 33.3412 178.5550 18 V 3.8763 7.4876 121.9338 63.7912 31.7149 177.0824 19 E 4.1886 8.0781 120.0778 57.9150 29.8886 177.2903 20 K 4.2891 8.3195 118.2779 56.2694 32.1230 176.2053 21 A 4.6967 7.7222 118.2965 52.1306 19.0629 177.7128 22 V 4.6968 7.3919 117.5279 63.2201 33.6961 177.1220 23 E 3.9908 7.5084 117.0282 59.4660 29.5123 178.5570 24 S 4.5896 7.8131 113.2255 58.9644 64.4838 175.9042 25 G 4.0180 7.8656 112.3379 45.8017 0.0000 176.3724 26 D 4.9268 8.5244 126.9132 52.2072 43.9788 174.5566 27 K 4.5391 8.4321 129.5532 56.3669 32.9550 176.0667 28 K 4.3827 8.3281 117.8126 54.9155 34.1521 174.7336 29 P 4.6148 0.0000 0.0000 62.4112 32.0547 175.2908 30 L 4.7342 8.1973 119.6963 52.8990 45.6811 175.9828 31 R 4.0125 8.4070 122.8465 55.6067 30.5466 175.2083 32 T 4.7174 7.6853 121.3457 59.4412 70.6042 174.4914 33 W 4.7125 9.3415 129.3980 56.7222 29.6148 177.4997 34 S 4.6353 7.5419 111.3579 56.7690 62.8773 173.6716 35 R 4.4760 8.2560 124.9791 56.6814 31.0270 178.0065 36 R 4.2997 7.9753 115.6739 56.9022 30.2455 176.1370 37 S 4.5435 7.6809 114.9693 58.0865 64.4069 172.4585 38 T 5.2131 7.9024 117.0930 61.6249 71.5872 174.2973 39 I 3.9940 9.1018 127.9994 61.5792 38.0553 175.8468 40 F 5.0697 8.7927 126.0256 55.1472 41.3172 173.4215 41 P 4.1249 0.0000 0.0000 66.4142 31.8460 176.5338 42 N 4.9219 7.7509 119.6129 51.8125 36.3716 175.0660 43 M 4.6530 7.5092 114.9496 54.8480 34.9215 175.1349 44 I 3.7192 7.2641 118.9884 64.1753 38.0004 174.7093 45 G 4.0653 8.9933 117.4646 45.4728 0.0000 172.9424 46 L 4.4486 7.6976 119.3128 54.7088 43.2659 176.0203 47 T 4.9014 8.2517 114.5395 62.2887 72.4522 173.5738 48 I 4.6477 7.9012 124.0501 59.5027 41.6587 173.7355 49 A 5.1814 8.1039 122.5467 49.3385 22.8719 175.8399 50 V 4.5320 7.8939 118.3895 60.5905 34.8757 173.6806 51 H 4.2891 8.6712 129.2802 55.6930 29.4403 174.1578 52 N 4.7427 8.9742 123.3640 52.0381 38.2835 176.1615 53 G 4.5012 7.0128 115.6630 46.5533 0.0000 174.7234 54 R 3.7856 7.7209 120.1422 57.6156 30.0276 178.2337 55 Q 4.5706 8.0181 121.5800 54.8044 34.1312 174.7402 56 H 5.0784 8.6456 116.8812 55.7675 29.7714 175.1463 57 V 4.5814 8.1392 111.7741 58.9589 35.9152 173.2472 58 P 4.3916 0.0000 0.0000 61.6426 32.1841 175.1521 59 V 3.7579 7.3188 125.5633 60.8913 33.2904 174.4411 60 F 4.8747 8.0175 127.3294 55.5778 40.3987 175.6532 61 V 3.8434 7.9205 124.9701 63.0821 32.4316 175.2489 62 T 4.4870 8.0399 124.0478 62.9359 70.0572 172.6170 63 D 4.4666 8.7159 122.1089 56.9951 41.4601 178.8238 64 E 3.7881 7.2517 120.2242 59.9174 30.6937 179.3733 65 M 4.5655 7.6641 120.0197 55.5003 29.6545 176.4103 66 V 3.7986 7.9482 121.8402 65.5336 32.3132 178.1855 67 G 4.4750 7.6921 106.0342 43.2257 0.0000 172.8634 68 H 4.4433 8.4037 121.2744 55.5468 31.1221 173.3865 69 K 5.0875 8.6728 116.9845 54.5469 33.9727 177.3609 70 L 3.9811 8.4305 124.6676 57.6601 42.1269 178.0330 71 G 4.0413 7.9732 105.0720 45.3337 0.0000 174.0944 72 E 4.0796 8.0359 121.0159 58.8556 30.3011 177.8710 73 F 4.2999 8.0923 119.6218 55.7572 37.2637 174.0604 74 A 4.5555 7.0314 124.3995 51.5474 21.6271 174.4724 75 P 4.8976 0.0000 0.0000 61.6014 33.2187 175.4438 76 T 4.3280 8.2819 114.2571 63.3717 69.2730 175.2179 77 R 3.9541 7.8350 119.7085 56.1695 30.6566 175.7455 78 T 3.8682 8.0424 119.7465 61.9762 69.7468 173.7714 79 Y 4.7905 7.3901 123.0252 56.0263 41.1730 170.5861 80 R 3.7651 8.6926 129.1858 55.6900 31.5387 176.2924 *81 G 3.7389 8.6222 112.0749 45.9059 0.0000 172.3336 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 R 8.24 4.33 0.00 1.94 2.09 0.00 3.03 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 3 S 7.91 4.44 0.00 4.02 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 4 L 9.02 4.42 0.00 1.72 1.84 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.72 3.49 0.00 1.88 1.22 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.45 7.81 6 K 8.69 4.05 0.00 1.76 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.39 7.81 7 G 8.81 3.84 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 0.00 0.00 0.00 8 P 0.00 4.34 0.00 2.18 2.13 0.00 3.67 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 1.97 2.10 0.00 9 F 8.91 4.81 0.00 3.03 2.95 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 0.00 0.00 0.00 10 I 7.09 4.31 1.45 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.43 0.36 0.00 0.00 11 D 7.89 4.25 0.00 2.57 2.38 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 12 L 7.87 4.23 0.00 1.56 1.54 0.89 0.94 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 13 H 7.72 4.55 0.00 3.23 3.40 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.24 4.77 0.00 1.70 1.63 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.91 4.39 0.00 1.74 1.57 0.88 0.32 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 16 K 7.98 4.14 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 17 K 7.36 4.28 0.00 1.81 1.70 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.36 7.81 18 V 7.49 3.88 2.04 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 0.70 0.00 0.00 0.92 0.00 0.00 19 E 8.08 4.19 0.00 2.05 2.04 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 2.39 2.40 0.00 20 K 8.32 4.29 0.00 1.81 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.52 7.81 21 A 7.72 4.70 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 22 V 7.39 4.70 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 1.36 0.00 0.00 0.96 0.00 0.00 23 E 7.51 3.99 0.00 2.01 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 2.32 2.34 0.00 24 S 7.81 4.59 0.00 3.90 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 25 G 7.87 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 26 D 8.52 4.93 0.00 2.60 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 27 K 8.43 4.54 0.00 1.85 1.70 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.40 7.81 28 K 8.33 4.38 0.00 1.86 1.83 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.38 7.81 29 P 0.00 4.61 0.00 1.87 1.96 0.00 3.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 30 L 8.20 4.73 0.00 1.45 1.47 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.41 4.01 0.00 1.56 1.62 0.00 3.04 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 32 T 7.69 4.72 4.21 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 1.20 0.00 0.00 33 W 9.34 4.71 0.00 3.29 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 34 S 7.54 4.64 0.00 4.05 4.05 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 0.00 0.00 0.00 0.00 35 R 8.26 4.48 0.00 1.97 2.09 0.00 3.33 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 36 R 7.98 4.30 0.00 2.00 2.06 0.00 3.28 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 37 S 7.68 4.54 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 5.21 4.43 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 1.69 0.00 0.00 39 I 9.10 3.99 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 1.00 0.00 0.00 40 F 8.79 5.07 0.00 2.76 2.97 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 41 P 0.00 4.12 0.00 2.19 2.14 0.00 3.42 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.78 0.00 42 N 7.75 4.92 0.00 2.86 2.93 0.00 0.00 5.77 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 43 M 7.51 4.65 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 44 I 7.26 3.72 1.89 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 1.24 0.63 0.97 0.00 0.00 45 G 8.99 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 0.00 0.00 0.00 46 L 7.70 4.45 0.00 1.75 1.62 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.25 4.90 4.19 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 1.03 0.00 0.00 48 I 7.90 4.65 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.76 0.80 0.00 0.00 49 A 8.10 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.89 4.53 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 1.13 0.00 0.00 0.86 0.00 0.00 51 H 8.67 4.29 0.00 2.52 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.97 4.74 0.00 2.81 2.86 0.00 0.00 6.14 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 53 G 7.01 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 3.79 0.00 1.75 1.75 0.00 3.11 0.00 0.00 3.19 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 55 Q 8.02 4.57 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 56 H 8.65 5.08 0.00 2.82 3.16 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.14 4.58 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 0.95 0.00 0.00 0.88 0.00 0.00 58 P 0.00 4.39 0.00 1.70 2.01 0.00 3.73 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 2.04 2.05 0.00 59 V 7.32 3.76 1.84 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 0.78 0.00 0.00 0.81 0.00 0.00 60 F 8.02 4.87 0.00 2.75 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 61 V 7.92 3.84 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 1.01 0.00 0.00 0.90 0.00 0.00 62 T 8.04 4.49 4.65 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 0.00 0.00 0.00 1.23 0.00 0.00 63 D 8.72 4.47 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.25 3.79 0.00 2.03 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 0.00 2.36 2.49 0.00 65 M 7.66 4.57 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 66 V 7.95 3.80 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 0.73 0.00 0.00 1.04 0.00 0.00 67 G 7.69 4.48 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 68 H 8.40 4.44 0.00 3.28 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.67 5.09 0.00 1.97 1.77 0.00 1.80 0.00 0.00 2.08 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.49 7.81 70 L 8.43 3.98 0.00 1.58 1.71 0.86 1.01 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 71 G 7.97 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 72 E 8.04 4.08 0.00 2.13 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 2.41 2.53 0.00 73 F 8.09 4.30 0.00 3.05 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 74 A 7.03 4.56 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 75 P 0.00 4.90 0.00 1.97 2.14 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 76 T 8.28 4.33 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 1.24 0.00 0.00 77 R 7.84 3.95 0.00 1.99 1.89 0.00 3.37 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 78 T 8.04 3.87 4.11 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 0.00 0.00 0.00 1.09 0.00 0.00 79 Y 7.39 4.79 0.00 2.90 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 80 R 8.69 3.77 0.00 2.02 2.04 0.00 3.26 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 *81 G 8.62 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.