NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 N 4.8777 8.2827 119.2049 53.2542 37.9928 174.5863 -6 L 3.9801 10.8200 128.9798 57.0774 41.5295 176.5684 -5 Y 4.5050 8.2392 120.5360 59.0474 39.0332 176.2120 -4 F 4.0667 8.2540 120.7454 60.4651 39.7766 176.9043 -3 Q 4.1666 8.1140 117.4805 56.8231 29.3083 175.4256 -2 S 4.9329 6.6106 113.1445 55.6943 64.3538 173.8788 -1 N 4.3901 8.8771 122.8600 55.2325 38.6108 174.9995 0 A 5.0737 7.3324 119.1846 50.9841 19.2913 176.7889 -5 K 4.2750 8.4092 120.6360 57.3474 34.3332 176.9120 -4 T 3.7967 8.1040 114.0454 64.5651 69.9766 175.8043 -3 L 4.1666 7.9540 119.4805 56.2231 42.3083 177.0256 -2 K 4.7829 6.5906 117.8445 53.5943 33.6538 175.8788 -1 E 4.0001 8.8971 124.3600 58.7325 29.6108 176.3995 0 L 5.0937 7.2524 117.1846 53.5841 42.5913 176.5889 8 R 4.1378 7.7552 118.3156 59.7977 30.2942 178.6144 9 T 4.0302 7.8601 108.8283 64.5299 68.7192 175.8532 10 D 4.5683 8.1284 120.4624 56.3063 40.5433 176.4283 11 Y 4.6241 7.8128 115.6971 56.5449 38.9304 175.8089 12 G 4.6519 8.2904 107.5345 46.3520 0.0000 174.0965 13 L 4.5500 7.3719 117.9913 53.7802 42.8717 178.3532 14 T 4.2174 9.1527 114.2837 61.4159 70.9446 175.8013 15 Q 3.9887 8.6495 121.2618 59.0644 28.6881 179.2824 16 K 3.8732 7.9768 119.9401 59.6494 32.3392 178.2301 17 E 3.8912 8.3081 119.0333 59.6542 29.3819 179.4155 18 L 3.7169 8.2032 120.3401 57.7137 42.0408 179.0332 19 G 3.7853 8.3446 107.5242 47.4604 0.0000 175.4036 20 D 4.3689 7.9826 120.3804 56.8564 40.8858 178.3611 21 L 4.0426 8.0753 120.4372 57.2074 42.1265 177.9896 22 F 5.0026 7.8376 114.6672 55.9672 40.2876 175.3028 23 K 3.8885 8.7440 117.2230 57.0219 29.0930 175.2273 24 V 4.5746 7.1233 110.1703 59.6819 36.4259 175.2183 25 S 4.3667 8.4078 115.8208 57.9647 64.1161 175.2647 26 S 4.1398 8.9125 117.7677 62.2489 62.4110 177.1780 27 R 4.0594 8.0378 120.3931 59.7155 29.5611 178.4356 28 T 3.9196 7.5389 114.4104 66.6966 68.5066 176.3528 29 I 4.0291 7.6039 120.2420 64.3815 37.5369 177.7169 30 Q 4.2473 8.6227 119.2731 59.3486 28.5037 180.3903 31 N 4.5089 8.3371 114.2609 54.2358 38.4557 176.7766 *33 E 4.2391 8.1392 121.8956 56.3430 31.9704 177.5470 34 K 4.0791 8.2815 120.0849 58.7940 32.4052 176.2959 35 D 4.9462 8.3223 118.4069 53.3413 43.5659 174.6858 36 S 4.5898 9.2074 122.7724 58.7853 63.8543 176.2503 37 T 3.8170 8.0170 117.5385 66.3003 68.2579 174.5187 38 N 4.9009 7.8814 115.2914 52.5879 39.1271 174.2738 39 I 3.6820 7.7235 119.1989 61.3534 38.5627 175.8599 40 K 4.2105 8.5385 126.6656 56.0177 32.8760 177.4733 41 D 4.3681 8.8852 122.4148 57.5779 40.8469 178.6362 42 S 4.0313 8.1300 113.4424 61.0530 62.8797 175.8038 43 L 4.1081 7.9470 123.3242 57.3938 41.9236 177.9667 44 L 4.0556 8.0428 119.7846 58.8958 41.6640 179.1386 45 S 4.3698 8.1806 113.6939 61.0093 62.8927 176.6432 46 K 3.8647 7.8141 121.6169 59.3497 31.7136 178.7459 47 Y 4.4406 6.7490 116.5246 59.3557 38.4402 178.4474 *49 S 4.2775 8.0255 115.4023 58.3737 64.1615 175.7770 50 A 3.8225 8.7747 122.3178 54.7878 18.0342 178.2269 51 F 4.7480 7.9029 111.2293 56.4818 39.6849 175.9549 52 N 4.1566 7.4927 116.8198 54.9963 37.2940 173.3596 53 V 4.6389 7.2736 110.6931 59.5250 36.2886 176.1125 54 K 4.4978 8.6745 121.1064 55.2598 33.7064 177.4785 55 Y 4.1253 8.8422 121.6762 61.2427 38.5269 178.5386 56 D 4.3597 8.3333 117.1201 57.1875 40.9608 177.5254 57 D 4.5346 7.9636 117.2607 55.4989 41.2366 176.0281 58 I 4.7888 7.2781 120.5478 59.4534 38.7610 175.0787 59 F 4.0224 8.3766 129.3501 57.2199 40.0727 174.5039 60 L 4.4223 7.3810 125.3128 52.0765 44.7263 176.5471 61 G 3.6999 7.7162 109.8022 44.9529 0.0000 171.1818 62 N 5.1173 8.8139 118.6646 51.6828 40.0818 175.3580 63 E 4.3961 8.6475 120.9742 58.8371 29.4951 177.9565 64 Y 4.2452 8.2210 119.4125 60.6217 38.9950 177.0930 65 E 3.8786 9.2179 119.9767 59.5394 29.5408 178.9282 66 N 4.2840 8.6146 116.6761 56.3328 38.6179 177.2557 67 F 4.0855 7.8805 121.8496 61.3413 39.5509 177.3529 68 V 3.3265 7.4584 117.8903 65.7036 31.1115 177.7794 69 F 3.7829 8.1283 120.8219 61.3431 39.1928 177.3265 70 T 3.4027 7.8975 109.7567 64.5329 68.4949 175.9214 71 N 3.8559 7.9358 120.3628 56.3963 38.8677 176.5806 72 D 4.1638 7.9590 120.5462 56.9367 40.7099 178.4266 73 K 2.6771 7.5265 120.5425 59.0810 32.0370 178.6450 74 K 3.7204 7.6023 119.5541 59.4103 32.0862 178.9877 75 K 3.9370 7.6212 118.9016 59.2256 31.9281 179.1905 76 S 4.1583 7.9660 115.6025 62.0893 62.8843 177.0509 77 I 3.7841 7.3783 122.0386 64.5677 36.9238 178.7069 78 I 3.8045 7.6973 120.3128 63.8988 36.6358 178.0378 79 L 4.1102 7.6938 120.1610 57.3283 42.2925 178.2504 80 A 4.2908 8.5072 121.2308 55.2104 18.1620 179.2421 81 F 3.9594 8.0439 117.7647 61.4995 39.7781 177.1876 82 K 4.1786 8.1624 116.8054 58.1266 31.7174 177.6398 83 E 4.2262 7.6166 119.1835 55.8776 30.3775 176.7063 84 K 3.9563 7.6701 124.1201 57.6050 32.7627 174.6825 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 -7 N 8.28 4.88 0.00 2.67 2.75 0.00 0.00 6.72 5.78 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 -6 L 10.82 3.98 0.00 1.88 1.66 1.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 -5 Y 8.24 4.51 0.00 2.64 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 -4 F 8.25 4.07 0.00 3.20 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 -3 Q 8.11 4.17 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.39 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 -2 S 6.61 4.93 0.00 4.38 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 -1 N 8.88 4.39 0.00 2.86 2.99 0.00 0.00 7.51 7.54 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 0 A 7.33 5.07 1.25 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 0.00 0.00 0.00 -5 K 8.41 4.28 0.00 1.45 1.52 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.29 7.81 -4 T 8.10 3.80 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 -3 L 7.95 4.17 0.00 1.95 1.84 0.92 1.27 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 -2 K 6.59 4.78 0.00 2.33 1.77 0.00 0.61 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.33 7.81 -1 E 8.90 4.00 0.00 2.09 2.20 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 2.40 2.33 0.00 0 L 7.25 5.09 0.00 1.30 1.52 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.76 4.14 0.00 2.02 2.15 0.00 3.23 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 9 T 7.86 4.03 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 10 D 8.13 4.57 0.00 2.73 2.22 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 11 Y 7.81 4.62 0.00 3.14 2.98 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 12 G 8.29 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 0.00 0.00 0.00 0.00 13 L 7.37 4.55 0.00 1.87 1.64 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.15 4.22 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 1.27 0.00 0.00 15 Q 8.65 3.99 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 16 K 7.98 3.87 0.00 1.87 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.59 7.81 17 E 8.31 3.89 0.00 2.11 1.96 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 2.32 2.33 0.00 18 L 8.20 3.72 0.00 1.77 1.73 0.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.34 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 20 D 7.98 4.37 0.00 2.76 2.72 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 21 L 8.08 4.04 0.00 1.45 1.40 0.82 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.84 5.00 0.00 3.04 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 23 K 8.74 3.89 0.00 1.92 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 24 V 7.12 4.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.06 0.00 0.00 25 S 8.41 4.37 0.00 4.02 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 26 S 8.91 4.14 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.06 0.00 1.94 1.95 0.00 3.41 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 28 T 7.54 3.92 4.49 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 1.30 0.00 0.00 29 I 7.60 4.03 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.95 1.06 0.00 0.00 30 Q 8.62 4.25 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 31 N 8.34 4.51 0.00 2.94 2.87 0.00 0.00 7.11 7.85 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 *33 E 8.14 4.24 0.00 2.18 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 0.00 2.27 2.63 0.00 34 K 8.28 4.08 0.00 1.83 1.99 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.41 7.81 35 D 8.32 4.95 0.00 2.64 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 36 S 9.21 4.59 0.00 3.87 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 37 T 8.02 3.82 4.30 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 1.20 0.00 0.00 38 N 7.88 4.90 0.00 2.69 2.79 0.00 0.00 6.81 7.45 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 39 I 7.72 3.68 1.94 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 1.34 0.79 0.95 0.00 0.00 40 K 8.54 4.21 0.00 1.88 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.44 7.81 41 D 8.89 4.37 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 42 S 8.13 4.03 0.00 4.03 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 43 L 7.95 4.11 0.00 1.81 1.88 0.92 0.52 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 44 L 8.04 4.06 0.00 1.86 1.91 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.18 4.37 0.00 3.81 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 46 K 7.81 3.86 0.00 0.79 0.74 0.00 1.31 0.00 0.00 1.10 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.12 1.33 7.81 47 Y 6.75 4.44 0.00 3.52 3.22 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 *49 S 8.03 4.28 0.00 3.98 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 50 A 8.77 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.90 4.75 0.00 3.46 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 52 N 7.49 4.16 0.00 2.83 2.86 0.00 0.00 6.85 7.59 0.00 0.00 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 7.27 4.64 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 0.97 0.00 0.00 1.11 0.00 0.00 54 K 8.67 4.50 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.55 7.81 55 Y 8.84 4.13 0.00 3.06 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 56 D 8.33 4.36 0.00 2.74 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 57 D 7.96 4.53 0.00 2.85 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 58 I 7.28 4.79 1.59 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 1.09 0.67 0.72 0.00 0.00 59 F 8.38 4.02 0.00 1.97 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.38 4.42 0.00 1.06 1.21 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.72 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 62 N 8.81 5.12 0.00 3.04 3.04 0.00 0.00 7.06 8.12 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 63 E 8.65 4.40 0.00 2.18 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 2.44 2.29 0.00 64 Y 8.22 4.25 0.00 3.17 3.25 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 0.00 65 E 9.22 3.88 0.00 2.38 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 66 N 8.61 4.28 0.00 2.85 2.98 0.00 0.00 6.69 8.11 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 67 F 7.88 4.09 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.33 1.92 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 0.85 0.00 0.00 0.39 0.00 0.00 69 F 8.13 3.78 0.00 2.18 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 3.40 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 1.22 0.00 0.00 71 N 7.94 3.86 0.00 1.77 2.43 0.00 0.00 7.26 8.50 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 72 D 7.96 4.16 0.00 2.79 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 73 K 7.53 2.68 0.00 0.79 1.27 0.00 1.15 0.00 0.00 1.12 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 74 K 7.60 3.72 0.00 1.66 1.75 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.35 7.81 75 K 7.62 3.94 0.00 1.87 1.77 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.36 7.81 76 S 7.97 4.16 0.00 4.06 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 77 I 7.38 3.78 1.87 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 1.45 0.68 0.86 0.00 0.00 78 I 7.70 3.80 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.92 0.00 0.00 79 L 7.69 4.11 0.00 1.69 1.93 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.51 4.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.04 3.96 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.18 0.00 2.06 1.84 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.62 7.81 83 E 7.62 4.23 0.00 2.07 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 2.32 2.49 0.00 84 K 7.67 3.96 0.00 1.66 1.59 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.