NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2388 8.2993 119.9931 56.7328 33.7256 175.5603 12 F 4.2056 8.4686 114.2658 56.2296 39.0499 179.1936 13 R 2.5100 8.3623 114.6087 53.8516 33.1036 177.2551 14 V 3.2717 7.9846 120.9482 59.1192 32.1273 171.1453 15 R 3.7310 8.3902 112.0970 56.7008 28.1664 177.8152 16 N 4.3077 8.2419 117.9550 56.4852 37.1524 178.2500 17 R 4.1574 7.4101 116.6138 58.9727 30.4095 177.1391 18 I 3.7654 7.9297 119.4099 64.4466 37.1405 178.6322 19 K 3.9441 9.2111 117.5816 56.8694 31.4714 176.4879 20 R 4.4721 9.0523 117.8093 54.2534 30.1479 175.5323 21 T 4.5442 9.3100 119.1222 60.3006 71.3965 172.1441 22 G 4.0560 8.0964 121.5360 43.4874 0.0000 172.4895 23 R 4.0872 7.9528 113.2855 56.0312 33.5420 170.4214 24 L 3.6307 8.0718 130.8208 54.4857 38.9791 172.8427 25 R 4.4034 9.0608 125.4473 54.9846 31.2101 175.7762 26 L 4.7160 7.8342 130.9124 53.4735 40.3491 175.7698 27 S 4.8300 8.4798 117.2836 57.7807 63.8885 172.8846 28 V 4.9944 8.0237 123.6846 61.4459 35.4329 174.8227 29 F 4.8651 9.2212 126.6999 57.5320 42.1033 173.2046 30 R 4.7617 9.1077 128.6129 55.1488 29.3719 174.5170 31 S 4.3402 8.3125 118.4538 56.6905 63.5709 175.4731 32 L 3.8198 8.0860 127.3982 57.2761 41.6260 177.9942 33 K 4.4323 7.8864 116.6949 56.4396 34.3343 174.6798 34 H 5.0424 7.4990 116.3752 56.3974 29.8570 172.1417 35 I 4.5939 7.5237 115.5122 62.0287 40.1789 173.9791 36 Y 4.9172 9.0470 127.5305 56.9323 40.7009 174.9093 37 A 5.2060 8.0833 118.8427 51.2357 23.3857 175.5217 38 Q 4.8881 8.9458 120.0178 54.5511 32.9123 174.2026 39 I 4.6161 8.6395 122.5296 60.5124 38.7995 174.6571 40 I 4.4733 9.1695 129.8074 59.7179 38.1810 174.6239 41 D 4.8935 8.4778 127.9187 52.5417 41.3531 176.3909 42 D 4.7131 8.0744 125.9669 54.8164 41.5472 177.2249 43 E 4.0302 9.4788 117.9785 57.5282 27.5234 174.8833 44 K 4.5306 7.8421 115.3168 55.3640 37.7531 178.4498 45 G 4.0399 7.5876 104.0534 45.6489 0.0000 174.4205 46 V 3.7208 7.3670 119.3427 63.2653 32.1053 174.9892 47 T 4.8879 8.1651 121.2581 62.1070 70.6690 174.2860 48 L 4.6103 8.5110 122.9940 55.7680 44.0097 177.4274 49 V 4.6945 7.3225 116.3535 61.5126 34.9607 173.3451 50 S 5.2407 8.2432 119.7983 56.8644 66.2745 173.6472 51 A 4.3965 8.2571 115.6962 52.3257 21.7754 176.5017 52 S 4.6951 8.2529 118.0353 57.6237 66.8273 174.4868 53 S 4.6017 6.7154 122.7532 58.1053 60.2658 177.3435 54 L 3.6897 8.1912 123.3671 56.4777 41.6154 177.2441 55 A 4.0966 7.3989 119.5761 54.2439 18.6002 177.5265 56 L 4.4078 8.4227 117.0930 53.6361 42.7616 175.9579 57 K 3.8636 7.7662 116.9750 57.4277 29.1222 173.9973 58 L 4.5975 7.7289 118.3530 53.8091 46.8069 177.7037 59 K 4.8619 7.4156 115.2231 55.3072 35.3066 176.4581 60 G 4.2035 7.8720 101.6297 46.3007 0.0000 173.7393 61 N 4.6941 7.2730 118.0498 56.5086 39.1805 178.0887 62 K 3.6553 7.1909 116.8252 57.1147 34.7235 177.4814 63 T 3.7259 6.6017 112.7024 65.6870 69.2537 175.7707 64 E 4.0235 8.3542 126.7081 58.6477 30.3395 178.4300 65 V 3.5681 7.6468 119.3236 65.6403 31.3017 177.4562 66 A 4.0743 7.7738 119.6748 54.9461 18.5959 179.0681 67 R 3.9015 7.6780 115.6448 58.6901 30.6396 177.2424 68 Q 4.5459 8.2856 116.3270 57.2103 31.1034 177.4904 69 V 3.9145 7.4190 118.0760 63.3816 31.2214 178.4491 70 G 3.6498 7.9948 107.0905 48.3065 0.0000 175.8554 71 R 4.1472 7.9542 120.2864 59.0640 29.9520 177.6688 72 A 3.9340 7.9668 119.4552 55.0788 17.9605 179.1279 73 L 3.8910 8.0102 114.1973 58.2098 42.2811 178.8134 74 A 3.8218 8.2313 118.0080 55.3656 16.4741 178.8508 75 E 3.8592 8.7974 115.7220 58.8809 30.0137 179.6756 76 K 3.8613 8.1957 116.9254 59.6631 32.5106 178.8045 77 A 4.1523 8.7690 120.8329 55.2021 18.4310 179.5596 78 L 3.9143 8.4025 116.1594 57.6721 41.7381 179.7258 79 A 4.1092 7.2329 119.8062 55.1710 18.5846 178.3618 80 L 3.9519 7.6234 116.1731 58.4688 41.8122 177.5727 81 G 3.2849 8.2966 106.6789 45.0183 0.0000 173.3103 82 I 3.6838 7.5338 121.3750 61.9430 35.7963 175.1975 83 K 4.2201 8.1060 126.0304 56.8051 33.1742 175.9625 84 Q 5.0662 7.4600 117.4283 54.5189 30.8753 175.7967 85 V 4.5664 8.0377 111.3100 61.4066 35.5257 171.0164 86 A 4.9359 8.4509 124.9795 51.6421 21.7412 174.5073 87 F 5.2080 8.8072 117.5985 59.2840 43.0594 174.3244 88 D 4.2308 7.0341 115.1567 56.3486 44.6460 173.8950 89 R 4.0010 8.2328 127.8572 55.1166 32.3102 176.4826 90 G 3.9318 9.1887 109.5361 47.9238 0.0000 173.3349 91 P 4.8015 0.0000 0.0000 61.9062 30.9311 176.9182 92 Y 4.3120 8.4893 119.7296 60.0902 38.1427 178.7180 93 K 3.3952 8.1764 116.0607 56.4530 31.8842 174.4842 94 Y 3.6298 7.6583 112.8494 58.6594 36.7783 169.6316 95 H 4.4840 7.9215 119.8308 55.4936 33.9900 172.8587 96 G 3.6674 8.4417 114.6361 46.4388 0.0000 175.4995 97 R 3.9562 8.7041 110.8975 56.7145 29.7916 177.8610 98 V 3.5228 7.7783 120.4503 63.6339 30.2598 176.6028 99 K 4.2841 8.1675 130.8392 55.7951 31.9089 179.6504 100 A 4.4493 7.4189 123.6680 52.6097 17.0340 178.8543 101 L 4.5281 7.5544 121.4316 54.6429 42.0573 175.8484 102 A 4.7387 8.5359 121.2383 53.2928 18.5959 178.6311 103 E 3.7573 9.0293 116.8416 59.6342 31.4830 177.0478 104 G 3.8886 7.9873 113.5603 44.5947 0.0000 172.3434 105 A 4.3411 8.1328 129.0995 52.3787 16.1035 177.5692 106 R 4.5247 7.8122 116.8639 54.5335 34.0721 171.7405 107 E 3.6524 8.8112 124.2016 55.8233 30.9198 171.9480 108 G 2.7807 8.6727 112.7204 44.9917 0.0000 173.7030 *109 G 3.7078 7.5054 111.8423 45.8342 0.0000 171.6140 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 11 K 8.30 4.24 0.00 1.65 1.75 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.28 7.81 12 F 8.47 4.21 0.00 3.13 3.24 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 0.00 13 R 8.36 2.51 0.00 1.95 2.03 0.00 3.13 0.00 0.00 3.13 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 14 V 7.98 3.27 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 1.04 0.00 0.00 1.14 0.00 0.00 15 R 8.39 3.73 0.00 1.97 1.88 0.00 3.10 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 16 N 8.24 4.31 0.00 2.98 3.12 0.00 0.00 7.02 7.44 0.00 0.00 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 7.41 4.16 0.00 1.77 1.91 0.00 3.17 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 18 I 7.93 3.77 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.08 0.89 0.00 0.00 19 K 9.21 3.94 0.00 1.77 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 20 R 9.05 4.47 0.00 2.08 1.85 0.00 3.23 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 21 T 9.31 4.54 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 22 G 8.10 4.06 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 0.00 0.00 0.00 23 R 7.95 4.09 0.00 1.81 1.74 0.00 3.31 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 24 L 8.07 3.63 0.00 1.98 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.06 4.40 0.00 1.83 1.77 0.00 3.20 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 26 L 7.83 4.72 0.00 1.83 1.72 0.97 1.12 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 27 S 8.48 4.83 0.00 3.91 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 28 V 8.02 4.99 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 0.94 0.00 0.00 0.88 0.00 0.00 29 F 9.22 4.87 0.00 2.99 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 30 R 9.11 4.76 0.00 1.94 1.97 0.00 3.49 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 31 S 8.31 4.34 0.00 3.16 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.82 0.00 1.66 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.89 4.43 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.40 7.81 34 H 7.50 5.04 0.00 3.28 2.87 0.00 5.73 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.52 4.59 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 0.85 0.00 0.00 36 Y 9.05 4.92 0.00 3.05 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 37 A 8.08 5.21 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 38 Q 8.95 4.89 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 39 I 8.64 4.62 1.89 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 1.25 0.69 0.93 0.00 0.00 40 I 9.17 4.47 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.16 0.92 0.00 0.00 41 D 8.48 4.89 0.00 2.77 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 42 D 8.07 4.71 0.00 2.81 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 43 E 9.48 4.03 0.00 2.13 2.12 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 2.19 2.31 0.00 44 K 7.84 4.53 0.00 1.84 1.76 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.60 7.81 45 G 7.59 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 46 V 7.37 3.72 2.08 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 0.95 0.00 0.00 0.97 0.00 0.00 47 T 8.17 4.89 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 1.37 0.00 0.00 48 L 8.51 4.61 0.00 1.58 1.69 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.32 4.69 2.10 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 0.97 0.00 0.00 0.94 0.00 0.00 50 S 8.24 5.24 0.00 3.91 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 51 A 8.26 4.40 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 52 S 8.25 4.70 0.00 3.63 3.17 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 53 S 6.72 4.60 0.00 3.68 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 54 L 8.19 3.69 0.00 1.47 1.52 0.90 0.90 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 55 A 7.40 4.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.41 0.00 1.50 1.76 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.77 3.86 0.00 1.91 1.79 0.00 2.03 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.51 7.81 58 L 7.73 4.60 0.00 1.50 1.46 0.88 1.00 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 59 K 7.42 4.86 0.00 1.77 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 60 G 7.87 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 0.00 0.00 0.00 0.00 61 N 7.27 4.69 0.00 2.65 2.62 0.00 0.00 7.24 6.19 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 62 K 7.19 3.66 0.00 1.89 2.01 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 63 T 6.60 3.73 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 1.16 0.00 0.00 64 E 8.35 4.02 0.00 1.92 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 0.00 2.31 2.43 0.00 65 V 7.65 3.57 2.30 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 0.95 0.00 0.00 0.91 0.00 0.00 66 A 7.77 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 3.90 0.00 1.89 1.97 0.00 3.17 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 68 Q 8.29 4.55 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 69 V 7.42 3.91 2.05 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 0.77 0.00 0.00 0.96 0.00 0.00 70 G 7.99 3.65 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 0.00 0.00 0.00 0.00 71 R 7.95 4.15 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.66 0.00 72 A 7.97 3.93 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 73 L 8.01 3.89 0.00 1.73 1.79 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.23 3.82 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 75 E 8.80 3.86 0.00 2.02 2.25 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 2.33 2.40 0.00 76 K 8.20 3.86 0.00 1.97 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.38 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.66 7.81 77 A 8.77 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 3.91 0.00 1.59 1.81 0.96 1.17 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 79 A 7.23 4.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 3.95 0.00 1.77 1.79 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.30 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 0.00 0.00 0.00 82 I 7.53 3.68 1.88 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 1.31 0.86 0.93 0.00 0.00 83 K 8.11 4.22 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 84 Q 7.46 5.07 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 85 V 8.04 4.57 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 0.83 0.00 0.00 0.99 0.00 0.00 86 A 8.45 4.94 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 87 F 8.81 5.21 0.00 3.15 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 88 D 7.03 4.23 0.00 2.58 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 0.00 0.00 0.00 0.00 89 R 8.23 4.00 0.00 2.00 2.05 0.00 3.36 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 90 G 9.19 3.93 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 0.00 91 P 0.00 4.80 0.00 2.12 2.01 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 0.00 92 Y 8.49 4.31 0.00 3.35 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 93 K 8.18 3.40 0.00 1.87 1.93 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.45 7.81 94 Y 7.66 3.63 0.00 2.65 2.73 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 95 H 7.92 4.48 0.00 3.11 3.07 0.00 6.09 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.44 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.70 3.96 0.00 1.93 2.05 0.00 3.31 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 98 V 7.78 3.52 1.85 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 0.44 0.00 0.00 0.28 0.00 0.00 99 K 8.17 4.28 0.00 1.95 1.89 0.00 1.92 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.48 7.81 100 A 7.42 4.45 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 0.00 101 L 7.55 4.53 0.00 1.90 1.72 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.54 4.74 1.04 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 0.00 103 E 9.03 3.76 0.00 2.13 2.08 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 2.28 2.32 0.00 104 G 7.99 3.89 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 0.00 0.00 0.00 105 A 8.13 4.34 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 0.00 106 R 7.81 4.52 0.00 1.79 1.92 0.00 3.60 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 107 E 8.81 3.65 0.00 2.13 1.90 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 2.17 2.28 0.00 108 G 8.67 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 0.00 0.00 0.00 *109 G 7.51 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 * Residues marked with a * may have inaccurate shift predictions.