NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3245 8.2644 123.5808 52.4829 19.7889 176.0273 2 S 4.2859 8.1627 109.4368 56.8642 65.3167 172.5264 3 A 3.6702 8.8151 127.1292 51.4633 15.7588 178.5284 4 A 5.7324 7.9461 133.1804 51.8755 22.0921 178.2561 5 K 4.4960 6.7464 117.3094 56.6103 31.8017 176.1830 6 G 3.6910 8.8710 120.9903 47.0036 0.0000 177.2562 7 D 3.3909 8.4955 115.0141 52.1927 43.4305 175.1543 8 H 3.9409 9.2476 120.2949 57.1662 28.5942 176.8657 9 G 3.4977 8.7111 107.3347 47.7991 0.0000 173.4509 10 G 3.7569 7.0641 105.1604 45.7442 0.0000 171.0912 *12 G 3.8596 7.7541 107.0577 45.3312 0.0000 172.8394 13 A 4.1212 8.6708 119.3680 55.3290 18.2774 179.8932 14 R 3.9235 8.0664 116.6628 59.9428 30.1750 178.7461 15 T 3.9283 7.8987 114.9725 66.5691 68.5429 176.6550 16 W 4.0531 8.1925 120.6174 59.3382 29.0321 178.6932 17 R 3.8656 8.3060 119.2100 59.0162 29.4397 178.1097 18 F 4.3193 8.3749 120.5770 61.5795 39.3268 177.1811 19 L 3.9192 8.1359 118.5422 57.8917 41.3239 179.5907 20 T 3.7947 7.8501 115.7006 66.8806 68.2236 176.6803 21 F 4.9791 7.9965 118.0402 59.7008 39.1777 177.5475 22 G 4.0986 8.5424 104.1670 45.2270 0.0000 173.5403 23 L 4.5182 7.6804 119.6237 56.3025 44.2366 177.8917 24 A 3.9801 8.2911 120.3080 55.3657 18.2512 179.5796 25 L 4.0168 8.6564 117.3081 57.4935 41.6769 178.1595 26 P 4.2879 0.0000 0.0000 65.5761 31.3027 178.8127 27 S 4.1075 8.1542 114.1976 61.5931 62.7593 176.9153 28 V 3.5925 7.8846 120.7632 65.7846 31.2415 177.9931 29 A 4.0320 8.2362 120.8348 55.0742 18.1572 179.6174 30 L 3.9234 8.1434 117.6609 58.3214 41.7518 179.6871 31 C 4.0823 8.1794 116.4675 62.9088 27.9437 176.3459 32 T 3.6981 7.8949 117.6740 66.1569 67.7392 176.5031 33 L 3.9629 7.6152 121.6541 58.1946 42.6164 177.9138 34 N 4.2666 8.3527 117.1741 57.0015 38.9462 177.0593 35 S 3.8855 7.9549 116.1702 60.7463 63.3277 175.5883 36 W 5.3881 7.7731 120.8047 56.0077 28.4103 176.2032 37 L 4.7626 7.4982 119.9022 57.2596 47.0236 175.9586 38 H 4.7726 8.1154 112.1400 56.3010 29.8637 177.4296 39 S 4.6665 7.2628 116.9724 55.8614 62.1207 173.8521 40 G 3.7863 9.1495 117.8906 44.5402 0.0000 172.4793 41 H 4.1801 8.7491 121.9311 56.5273 29.1194 175.1724 42 R 4.2889 8.4793 123.5542 54.8285 30.9960 175.9574 43 E 3.9074 8.8870 121.8990 56.4730 29.6702 177.3401 44 R 4.0389 8.5028 121.2585 55.4161 29.9354 174.9832 45 P 4.4722 0.0000 0.0000 61.9844 32.1903 175.9079 46 A 4.2085 8.4480 122.2920 52.5286 18.8253 177.1180 47 F 4.4809 8.8942 123.4306 57.6052 40.2529 175.0424 48 I 4.0312 7.0290 127.5221 58.7213 40.2795 175.1035 49 P 4.2239 0.0000 0.0000 61.8984 29.4012 176.6772 50 Y 4.1577 7.0371 116.9633 58.6857 38.7657 178.0848 51 H 4.3931 8.9432 120.7858 58.0855 29.1827 175.8007 52 H 4.7015 8.2404 113.0484 55.4464 28.9300 174.1915 53 L 4.7759 7.0903 118.5947 53.1918 44.9341 175.4850 54 R 3.8846 8.6605 115.0955 56.9580 27.6736 177.2957 55 I 3.7769 7.8373 116.6070 61.9715 37.6607 177.0784 56 R 4.2947 8.1934 123.1382 55.0318 31.4317 174.3512 57 T 4.3290 7.9471 112.2636 61.7170 70.3653 175.3845 58 K 4.3487 7.2129 121.1381 54.1876 35.0297 173.1271 59 P 4.2112 0.0000 0.0000 62.2148 32.1802 176.2421 60 F 3.7919 7.8384 119.5151 57.6994 39.0810 176.3908 61 S 4.6350 7.9451 119.4338 58.0870 62.6524 173.8770 62 W 5.2142 7.8263 116.3324 55.6637 31.8885 176.0807 63 G 3.6994 8.4516 108.5746 47.4668 0.0000 173.9998 64 D 4.6039 8.9306 124.4293 52.6712 39.6883 177.6833 65 G 3.8061 8.4141 108.0834 46.1642 0.0000 174.4159 66 N 4.9948 8.7123 116.0717 53.2111 39.9993 173.3534 67 H 4.8766 8.1383 114.2652 54.4226 31.1323 174.3820 68 T 3.5045 8.2710 113.7119 61.0074 69.5280 174.7698 69 F 2.8885 8.8734 124.9228 60.6916 39.3120 176.6090 70 F 4.9563 7.6049 116.9998 56.5305 39.3281 175.5809 71 H 4.0643 7.9117 120.1047 56.5497 30.4813 173.5980 72 N 4.8273 9.0997 125.6334 51.0536 39.5994 172.7197 73 P 4.3947 0.0000 0.0000 65.7924 31.7126 178.1020 74 R 4.0462 7.9585 117.5084 58.6865 29.9772 177.3313 75 V 4.4956 7.7517 106.6322 60.6194 33.5658 174.9704 76 N 4.8378 8.6051 118.4153 50.6238 38.4390 172.8943 77 P 4.2159 0.0000 0.0000 61.9896 32.3638 176.4005 78 L 4.3898 7.9800 120.4561 53.0901 42.6741 176.2811 79 P 4.2859 0.0000 0.0000 65.6137 31.1391 177.6409 80 T 4.1909 7.5233 105.6911 60.7790 69.3273 172.9569 81 G 2.0320 7.1598 108.6786 43.5112 0.0000 173.1801 82 Y 4.3785 7.6089 116.1990 57.9891 38.2641 176.4453 83 E 4.4021 8.5080 121.5712 55.2117 30.8466 177.1741 84 K 4.1474 8.4973 118.4416 57.0538 32.0558 177.2636 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 4.32 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 8.16 4.29 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 8.82 3.67 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 4 A 7.95 5.73 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 5 K 6.75 4.50 0.00 1.60 0.84 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.30 7.81 6 G 8.87 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.50 3.39 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 9.25 3.94 0.00 3.53 3.34 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 8.71 3.50 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 10 G 7.06 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 *12 G 7.75 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 8.67 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 3.92 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.37 7.56 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 7.90 3.93 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 0.77 0.00 0.00 16 W 8.19 4.05 0.00 3.47 3.28 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 17 R 8.31 3.87 0.00 2.06 2.18 0.00 3.21 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 18 F 8.37 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 8.14 3.92 0.00 1.80 1.62 -0.08 0.31 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 20 T 7.85 3.79 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 0.82 0.00 0.00 21 F 8.00 4.98 0.00 3.14 3.02 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 22 G 8.54 4.10 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 0.00 0.00 0.00 23 L 7.68 4.52 0.00 1.65 1.75 0.91 1.11 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 24 A 8.29 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 25 L 8.66 4.02 0.00 1.87 1.85 1.20 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.29 0.00 2.31 2.14 0.00 3.72 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 8.15 4.11 0.00 4.09 3.91 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 28 V 7.88 3.59 2.27 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 1.03 0.00 0.00 1.02 0.00 0.00 29 A 8.24 4.03 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 8.14 3.92 0.00 1.85 1.71 0.92 1.10 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 8.18 4.08 0.00 2.92 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 32 T 7.89 3.70 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 1.40 0.00 0.00 33 L 7.62 3.96 0.00 1.80 2.00 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.35 4.27 0.00 2.69 2.83 0.00 0.00 7.36 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.95 3.89 0.00 3.29 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 36 W 7.77 5.39 0.00 3.35 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 37 L 7.50 4.76 0.00 1.89 1.79 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.12 4.77 0.00 3.16 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.26 4.67 0.00 4.29 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 3.79 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 41 H 8.75 4.18 0.00 3.16 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.48 4.29 0.00 1.84 1.88 0.00 3.26 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 43 E 8.89 3.91 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 2.32 2.27 0.00 44 R 8.50 4.04 0.00 1.94 1.90 0.00 2.34 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.00 45 P 0.00 4.47 0.00 2.30 2.17 0.00 3.94 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 8.45 4.21 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 4.48 0.00 3.04 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 48 I 7.03 4.03 1.25 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.01 0.00 0.00 49 P 0.00 4.22 0.00 1.91 2.10 0.00 3.30 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 50 Y 7.04 4.16 0.00 2.84 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 51 H 8.94 4.39 0.00 3.23 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.24 4.70 0.00 3.26 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.09 4.78 0.00 1.61 1.59 0.86 0.86 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 54 R 8.66 3.88 0.00 1.96 2.05 0.00 3.36 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 55 I 7.84 3.78 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 8.19 4.29 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 1.71 1.51 0.00 57 T 7.95 4.33 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 7.21 4.35 0.00 1.59 1.51 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.17 1.30 7.81 59 P 0.00 4.21 0.00 2.07 1.91 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 60 F 7.84 3.79 0.00 2.32 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 4.64 0.00 4.08 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 62 W 7.83 5.21 0.00 3.42 3.34 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 63 G 8.45 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 0.00 0.00 0.00 64 D 8.93 4.60 0.00 2.80 2.77 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 65 G 8.41 3.81 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 0.00 0.00 0.00 66 N 8.71 4.99 0.00 2.64 2.91 0.00 0.00 6.97 7.61 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 67 H 8.14 4.88 0.00 3.18 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.85 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 3.50 4.26 0.00 0.00 0.00 0.00 0.00 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 8.87 2.89 0.00 2.36 2.49 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 0.00 0.00 0.00 70 F 7.60 4.96 0.00 3.12 2.96 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 71 H 7.91 4.06 0.00 3.26 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.10 4.83 0.00 2.73 2.80 0.00 0.00 6.80 8.56 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 73 P 0.00 4.39 0.00 2.11 2.20 0.00 3.75 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 2.08 2.21 0.00 74 R 7.96 4.05 0.00 1.80 1.99 0.00 3.31 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 V 7.75 4.50 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 8.61 4.84 0.00 2.61 2.83 0.00 0.00 6.98 8.00 0.00 0.00 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 4.22 0.00 1.72 0.66 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.88 0.00 78 L 7.98 4.39 0.00 1.72 1.56 0.90 0.75 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 4.29 0.00 2.04 2.16 0.00 3.64 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 2.27 0.00 80 T 7.52 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 7.16 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 0.00 0.00 0.00 82 Y 7.61 4.38 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 83 E 8.51 4.40 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 8.50 4.15 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.