NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3269 8.2644 123.5808 52.4622 19.7909 175.9444 2 S 4.2623 8.2250 109.3786 56.8789 64.9314 172.0983 3 A 3.7772 8.5492 127.6428 50.7588 15.9518 178.2445 4 A 5.6584 7.8872 133.5487 51.8681 21.8556 178.1450 5 K 4.4937 6.7714 116.7765 56.3017 31.0176 176.3326 6 G 3.7208 8.8147 120.9193 46.8431 0.0000 177.2103 7 D 3.3700 8.1860 114.0587 51.5574 43.9227 175.2354 8 H 3.4395 9.1284 117.9551 57.4310 28.5324 176.4443 9 G 3.7910 9.0704 107.6168 46.1216 0.0000 173.4526 10 G 3.7178 7.0304 105.6947 45.7618 0.0000 170.8786 *12 G 3.8612 7.5534 106.3809 45.2563 0.0000 172.8154 13 A 4.1245 8.7155 119.3895 55.3573 18.2456 179.8718 14 R 3.8987 8.0739 116.5853 59.9890 30.2126 178.7027 15 T 3.9264 7.9089 114.9229 66.5873 68.5177 176.6167 16 W 4.0837 8.2114 120.7084 59.3653 28.9694 178.7077 17 R 3.8748 8.4080 119.2650 59.0456 29.4593 178.1236 18 F 4.3227 8.4048 120.5781 61.6196 39.3214 177.2102 19 L 3.9706 8.1111 118.4628 57.8439 41.3058 179.6318 20 T 3.7941 7.8708 115.7539 66.8443 68.2257 176.6564 21 F 4.9943 8.1356 118.0212 59.5761 39.2078 177.5260 22 G 4.1168 8.6541 104.1746 45.1282 0.0000 173.5017 23 L 4.5246 7.6803 119.7995 56.2361 44.2587 177.8740 24 A 3.9972 8.3368 120.3317 55.3711 18.2484 179.5814 25 L 4.0183 8.5216 117.4016 57.5086 41.7378 178.1575 26 P 4.2919 0.0000 0.0000 65.5626 31.3021 178.8020 27 S 4.1289 8.1874 114.1865 61.6047 62.7595 176.9203 28 V 3.6111 7.8739 120.6876 65.8223 31.2484 177.9537 29 A 4.0519 8.3408 120.8406 55.1302 18.1649 179.6432 30 L 3.9402 8.1059 117.5273 58.2862 41.7338 179.6538 31 C 4.1457 8.2044 116.4648 62.8738 27.9765 176.2798 32 T 3.9006 7.9875 117.6545 66.0366 67.7669 176.7041 33 L 3.9511 7.6261 121.8271 58.1931 42.5709 177.9479 34 N 4.2776 8.3818 117.3105 56.8982 38.9449 177.0214 35 S 3.7533 7.9647 116.2319 60.7116 63.5750 175.5604 36 W 5.2780 7.5340 121.1475 55.2344 27.0702 175.4419 37 L 4.7760 7.2820 120.9242 57.1614 48.6388 175.5748 38 H 4.7831 8.0699 112.4143 56.1791 29.7880 177.0960 39 S 4.6555 7.1860 118.9623 55.8601 62.0203 173.7679 40 G 3.8042 9.1471 118.0454 44.5380 0.0000 172.4752 41 H 4.1729 8.8140 122.0569 56.3780 29.1372 175.2511 42 R 4.1826 8.4667 121.0083 54.9304 30.4488 175.7264 43 E 3.9151 8.7145 121.9055 56.0230 29.6144 176.6740 44 R 4.0149 8.5266 123.6742 55.7179 29.7879 174.9338 45 P 4.4798 0.0000 0.0000 61.9811 32.2026 175.9082 46 A 4.2197 8.4308 122.2808 52.4777 18.8471 177.1213 47 F 4.4897 8.8865 123.4988 57.6050 40.2662 175.0758 48 I 4.0776 7.0695 127.7015 58.5682 40.3252 175.0491 49 P 4.1963 0.0000 0.0000 62.1795 29.4195 176.5345 50 Y 4.1887 7.0309 116.8491 59.3383 38.8155 178.0224 51 H 4.3331 8.9813 120.8476 58.2608 29.1610 175.8571 52 H 4.6943 8.2791 112.9306 55.4804 28.8753 174.2280 53 L 4.7722 7.0786 118.6971 53.2343 45.0507 175.5280 54 R 3.8794 8.6491 115.2094 57.0553 27.6674 177.3338 55 I 3.8074 7.7935 116.6524 61.8928 37.7162 177.1873 56 R 4.3116 8.1715 123.1635 55.0016 31.3596 174.3551 57 T 4.3138 7.9397 112.1301 61.7642 70.3053 175.5321 58 K 4.3384 7.2549 121.3402 54.1637 35.0659 173.1536 59 P 4.2024 0.0000 0.0000 62.2856 32.1013 176.2025 60 F 3.7701 7.9821 119.6188 57.7417 39.0855 176.2226 61 S 4.6798 7.9549 119.7181 58.0890 62.8266 173.8837 62 W 5.2288 7.8344 116.1429 55.6254 31.9419 176.2837 63 G 3.7089 8.4338 108.7572 47.4296 0.0000 174.0974 64 D 4.5825 8.9242 124.0901 52.6603 39.6632 177.6281 65 G 3.8198 8.4238 108.6413 46.0002 0.0000 174.3254 66 N 4.9922 8.7388 116.3345 53.2850 40.0413 173.4225 67 H 4.8600 8.1482 114.5397 54.4861 31.1128 174.5628 68 T 3.4871 8.2724 113.8427 60.9977 69.5592 174.7788 69 F 2.9197 9.0055 124.9286 60.8273 39.2446 177.0064 70 F 4.7908 7.8427 116.9837 56.4052 39.3713 175.6070 71 H 4.0296 7.8814 119.7198 56.7125 30.3415 173.6243 72 N 4.8139 8.8811 125.1306 51.0234 39.6081 172.6274 73 P 4.2769 0.0000 0.0000 65.7859 31.7646 178.1071 74 R 4.0388 7.9654 117.3363 58.8430 29.9305 177.4443 75 V 4.4592 7.7762 106.5787 60.8053 33.5477 175.0165 76 N 4.8513 8.7348 118.3403 50.6596 38.5785 172.8988 77 P 4.2845 0.0000 0.0000 61.9370 32.4317 176.2916 78 L 4.3948 8.0049 120.3854 53.1093 42.6597 176.3169 79 P 4.3066 0.0000 0.0000 65.5851 31.1501 177.6473 80 T 4.1921 7.5142 105.8048 60.8318 69.3162 173.0412 81 G 2.0690 7.2402 108.7693 43.5638 0.0000 173.1394 82 Y 4.4038 7.6122 116.1298 58.0610 38.2150 176.5719 83 E 4.3921 8.5236 122.0643 55.1813 30.8582 177.1675 84 K 4.1569 8.4704 118.2307 57.0517 32.0592 177.3204 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 A 8.26 4.33 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 2 S 8.22 4.26 0.00 3.82 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 3 A 8.55 3.78 1.31 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 0.00 0.00 0.00 4 A 7.89 5.66 1.31 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 0.00 0.00 0.00 5 K 6.77 4.49 0.00 1.62 0.81 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.31 7.81 6 G 8.81 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.19 3.37 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.13 3.44 0.00 3.50 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.07 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 0.00 0.00 0.00 10 G 7.03 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 G 7.55 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 13 A 8.72 4.12 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 14 R 8.07 3.90 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 15 T 7.91 3.93 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 0.75 0.00 0.00 16 W 8.21 4.08 0.00 3.45 3.27 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 17 R 8.41 3.87 0.00 2.06 2.17 0.00 3.23 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 18 F 8.40 4.32 0.00 3.33 3.05 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 19 L 8.11 3.97 0.00 1.81 1.64 -0.04 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.87 3.79 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 0.78 0.00 0.00 21 F 8.14 4.99 0.00 3.13 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 22 G 8.65 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 0.00 0.00 0.00 23 L 7.68 4.52 0.00 1.65 1.75 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.34 4.00 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 25 L 8.52 4.02 0.00 1.82 1.85 1.19 1.12 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 26 P 0.00 4.29 0.00 2.20 2.14 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 27 S 8.19 4.13 0.00 4.09 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 28 V 7.87 3.61 2.28 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 1.05 0.00 0.00 1.03 0.00 0.00 29 A 8.34 4.05 1.43 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 0.00 0.00 30 L 8.11 3.94 0.00 1.87 1.72 0.93 0.80 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 31 C 8.20 4.15 0.00 2.95 2.91 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 0.00 0.00 0.00 0.00 32 T 7.99 3.90 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 1.51 0.00 0.00 33 L 7.63 3.95 0.00 1.84 1.86 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.38 4.28 0.00 2.75 2.69 0.00 0.00 7.34 7.11 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 35 S 7.96 3.75 0.00 3.31 2.80 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 36 W 7.53 5.28 0.00 3.39 3.06 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 37 L 7.28 4.78 0.00 1.87 1.76 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.07 4.78 0.00 3.11 3.29 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.19 4.66 0.00 4.34 3.45 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 0.00 0.00 0.00 0.00 40 G 9.15 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 0.00 0.00 0.00 41 H 8.81 4.17 0.00 3.17 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.47 4.18 0.00 1.92 1.95 0.00 3.13 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 43 E 8.71 3.92 0.00 1.96 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 2.29 2.25 0.00 44 R 8.53 4.01 0.00 1.97 1.89 0.00 2.37 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 45 P 0.00 4.48 0.00 2.31 2.17 0.00 3.93 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 2.18 2.07 0.00 46 A 8.43 4.22 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 47 F 8.89 4.49 0.00 2.99 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 48 I 7.07 4.08 1.23 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.02 0.00 0.00 49 P 0.00 4.20 0.00 2.05 2.20 0.00 3.15 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.22 0.00 50 Y 7.03 4.19 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.98 4.33 0.00 3.24 3.42 0.00 5.69 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 H 8.28 4.69 0.00 3.27 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.08 4.77 0.00 1.59 1.57 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.65 3.88 0.00 1.95 2.04 0.00 3.35 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 55 I 7.79 3.81 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.90 0.00 0.00 56 R 8.17 4.31 0.00 1.67 1.70 0.00 3.18 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 57 T 7.94 4.31 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 1.18 0.00 0.00 58 K 7.25 4.34 0.00 1.60 1.52 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.31 7.81 59 P 0.00 4.20 0.00 2.08 1.91 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 60 F 7.98 3.77 0.00 2.35 1.45 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 0.00 0.00 0.00 0.00 61 S 7.95 4.68 0.00 4.08 3.98 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 0.00 0.00 0.00 62 W 7.83 5.23 0.00 3.43 3.35 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 63 G 8.43 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.92 4.58 0.00 2.80 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 65 G 8.42 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.74 4.99 0.00 2.64 2.94 0.00 0.00 7.00 8.69 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 67 H 8.15 4.86 0.00 3.18 3.20 0.00 5.95 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.27 3.49 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 1.31 0.00 0.00 69 F 9.01 2.92 0.00 2.55 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 70 F 7.84 4.79 0.00 3.09 3.01 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 71 H 7.88 4.03 0.00 3.33 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.88 4.81 0.00 2.76 2.80 0.00 0.00 6.82 7.18 0.00 0.00 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 P 0.00 4.28 0.00 2.11 2.20 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 74 R 7.97 4.04 0.00 1.80 2.00 0.00 3.31 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 75 V 7.78 4.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 76 N 8.73 4.85 0.00 2.66 2.84 0.00 0.00 6.99 8.54 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 77 P 0.00 4.28 0.00 1.75 0.65 0.00 3.76 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 1.85 0.00 78 L 8.00 4.39 0.00 1.73 1.57 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.31 0.00 2.05 2.16 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 80 T 7.51 4.19 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 1.19 0.00 0.00 81 G 7.24 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.61 4.40 0.00 2.94 2.85 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 83 E 8.52 4.39 0.00 2.04 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 0.00 2.33 2.42 0.00 84 K 8.47 4.16 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.