NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4065 8.3193 115.2911 58.5202 63.4156 173.1597 6 D 4.6566 8.5701 126.0208 52.5586 39.6185 175.0696 7 K 4.2607 8.1977 119.9033 56.7125 33.8401 178.5010 8 L 3.9857 8.1670 120.2383 56.2461 42.3891 176.2102 9 Y 5.2756 7.4273 114.8906 56.1176 42.3195 174.4119 10 R 5.3671 8.6774 121.2176 54.7653 33.6405 174.6673 11 V 4.9763 8.6101 124.6595 60.1525 34.9724 174.1423 12 E 4.5362 8.4510 119.0974 55.7562 33.3602 174.1505 13 Y 4.7885 8.1593 118.4708 57.3076 38.8295 175.6202 14 A 3.6548 9.0463 126.8432 52.5616 18.7605 178.7814 15 K 3.8821 8.6209 122.5135 58.5511 32.6173 176.5254 16 S 4.6008 7.5644 111.7694 57.1480 66.0487 174.1692 17 G 4.3800 8.5378 106.6815 45.7840 0.0000 174.5284 18 R 4.2078 8.3326 119.7970 56.9734 31.0161 177.0866 19 A 4.2210 7.7747 120.3746 52.1251 19.5671 176.3777 20 S 5.0260 8.4616 117.6785 56.7053 65.0256 173.8257 21 C 4.2654 8.7047 125.5309 59.4880 31.6632 174.8909 22 K 3.8272 8.0784 126.2859 59.1178 31.9341 178.7004 23 K 4.1588 8.0497 119.4766 59.0590 32.4689 177.2137 24 C 4.4591 8.0275 111.3658 57.4485 30.6907 174.8596 25 S 3.9316 8.1663 115.1689 59.2182 60.8173 170.5005 26 E 4.7174 7.5021 120.2244 55.0819 31.1635 176.1983 27 S 4.7939 8.6291 116.6196 58.5947 64.7917 173.4294 28 I 4.4489 8.3101 122.3491 58.8559 39.0627 173.8427 29 P 4.4981 0.0000 0.0000 61.8176 31.8898 175.8523 30 K 4.2312 8.3710 122.4493 57.5418 32.3600 176.7141 31 D 4.7345 9.2425 123.9933 54.7393 40.4641 174.7725 32 S 4.4853 7.6798 114.1215 57.6818 64.7627 173.3439 33 L 4.6752 8.4908 124.0154 55.2953 42.5977 175.6829 34 R 4.9639 8.5842 124.3430 54.6488 33.1624 173.9197 *36 A 5.1180 8.3117 118.1447 52.9669 20.1735 177.1200 37 I 4.9035 7.9262 121.1091 59.9376 40.6433 175.1790 *39 V 4.0017 8.1948 116.1473 61.9209 33.3288 174.9730 40 Q 4.2193 8.3501 123.9808 56.1581 29.5918 175.5782 41 S 4.4087 7.9941 120.5079 56.4350 63.6026 171.9742 42 P 4.5813 0.0000 0.0000 62.1776 31.3866 174.3893 *44 F 4.4631 7.6641 112.5792 57.9132 39.0493 174.3053 45 D 4.4379 8.8992 120.3220 53.4221 40.0499 175.4572 46 G 4.2425 7.0573 117.3547 44.6993 0.0000 169.6671 47 K 4.5785 8.1228 119.4874 56.1994 32.7944 177.1520 48 V 4.6786 8.5223 117.1488 58.7332 34.9574 173.7316 49 P 4.2196 0.0000 0.0000 62.8297 32.5375 175.4053 50 H 4.6986 8.9093 120.9099 54.1199 30.1881 174.1900 51 W 5.1616 8.4033 123.9004 56.5574 30.5573 175.3366 52 Y 5.2071 8.8159 119.3003 56.1884 41.7150 175.0670 53 H 4.3582 9.0181 118.5903 56.1826 29.9849 176.0619 54 F 4.1685 9.4704 124.9467 61.9836 39.0476 178.0272 55 S 4.4839 8.4435 113.0271 61.7274 62.8669 175.8814 56 C 4.2375 8.2876 119.0568 62.3974 28.0688 175.2230 57 F 3.5911 8.5491 122.5758 61.1287 38.8691 177.3758 58 W 4.0821 7.5115 116.9317 59.5652 28.6036 178.6262 59 K 3.9913 7.9847 117.6898 59.0977 31.4748 178.5948 60 V 4.2607 7.0120 110.5670 59.8020 31.8911 173.1311 61 G 3.6121 7.9817 113.3803 45.5352 0.0000 172.9403 62 H 4.9043 8.2297 121.0797 53.7892 33.1320 174.5676 63 S 4.6927 8.4093 117.4001 57.3252 62.0912 174.6328 64 I 4.1384 7.4936 120.5137 60.5905 37.8189 176.7125 65 R 4.0276 8.8884 125.0058 58.7130 30.5562 177.5004 66 H 4.7468 8.0931 120.1727 52.8983 28.5750 173.0450 67 P 4.1378 0.0000 0.0000 65.4877 31.0865 177.4140 68 D 3.4334 7.3488 115.9058 56.1763 38.9730 178.3644 69 V 4.0075 7.4239 111.3295 62.9627 32.4104 177.5851 70 E 4.5032 8.2708 117.4533 56.8160 29.9208 176.5193 71 V 4.4033 7.7634 119.4549 60.5713 31.8993 174.2609 72 D 4.5248 8.5687 127.9573 56.0420 41.7538 177.5768 73 G 4.1473 8.9744 113.0580 46.4359 0.0000 174.9341 74 F 4.1022 8.2222 122.2420 61.2305 39.4722 177.2965 75 S 4.3009 8.2098 113.3149 60.6286 63.0832 174.3825 76 E 4.3908 7.8180 118.7306 56.2683 29.4443 176.3013 77 L 4.3731 7.1869 119.0154 53.5219 42.7715 177.0907 78 R 4.0459 9.1469 123.3698 56.6837 30.9653 178.5565 *79 W 4.0614 8.9545 125.8460 61.9215 27.9816 177.5451 80 D 4.5752 8.0956 118.7028 57.6373 40.5051 178.5081 81 D 4.3559 8.2639 119.0231 56.9457 40.9800 178.6380 82 Q 3.5073 7.9046 118.1707 59.1706 28.5681 179.0908 83 Q 4.0885 8.2638 118.8991 58.7714 28.7423 178.6082 84 K 3.9613 7.8556 120.6597 59.1893 32.0827 179.2287 85 V 3.9447 8.2329 118.9424 66.0021 31.6324 178.0165 86 K 3.9537 8.3650 118.2299 59.4313 31.9892 178.9291 87 K 3.8168 8.2514 119.8536 60.0928 31.8546 178.8431 88 T 3.5341 7.5875 114.0120 66.3236 68.3139 176.2407 89 A 3.5098 7.4803 121.7148 55.0607 18.4762 179.2399 90 E 3.9472 7.9302 115.7466 59.0055 29.5743 177.6752 91 A 4.2801 7.4685 123.9170 52.2076 19.0182 176.8252 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 5 S 8.32 4.41 0.00 3.86 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 6 D 8.57 4.66 0.00 2.84 2.69 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 7 K 8.20 4.26 0.00 1.78 1.99 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.42 7.81 8 L 8.17 3.99 0.00 0.53 0.82 0.79 0.59 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 9 Y 7.43 5.28 0.00 2.82 2.67 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 10 R 8.68 5.37 0.00 1.71 1.57 0.00 3.29 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 11 V 8.61 4.98 2.11 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 0.83 0.00 0.00 0.94 0.00 0.00 12 E 8.45 4.54 0.00 2.00 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 2.01 1.99 0.00 13 Y 8.16 4.79 0.00 2.89 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 14 A 9.05 3.65 1.21 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 0.00 0.00 0.00 15 K 8.62 3.88 0.00 1.70 1.86 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.50 7.81 16 S 7.56 4.60 0.00 3.90 3.90 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 17 G 8.54 4.38 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 0.00 0.00 0.00 18 R 8.33 4.21 0.00 1.74 1.99 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 19 A 7.77 4.22 1.18 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 0.00 0.00 20 S 8.46 5.03 0.00 3.75 3.78 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 21 C 8.70 4.27 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 22 K 8.08 3.83 0.00 0.79 1.60 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.65 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.14 1.12 7.81 23 K 8.05 4.16 0.00 2.01 2.03 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.52 7.81 24 C 8.03 4.46 0.00 3.19 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 25 S 8.17 3.93 0.00 4.08 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 26 E 7.50 4.72 0.00 2.16 1.91 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 2.31 2.45 0.00 27 S 8.63 4.79 0.00 4.07 3.87 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 28 I 8.31 4.45 1.75 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 0.87 1.21 0.84 0.00 0.00 29 P 0.00 4.50 0.00 2.19 1.98 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 30 K 8.37 4.23 0.00 1.67 1.73 0.00 1.66 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.54 7.81 31 D 9.24 4.73 0.00 2.81 2.76 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 32 S 7.68 4.49 0.00 3.96 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 33 L 8.49 4.68 0.00 1.68 1.59 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.58 4.96 0.00 2.06 1.95 0.00 2.21 0.00 0.00 2.55 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.02 0.00 *36 A 8.31 5.12 0.34 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 37 I 7.93 4.90 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.85 0.00 0.00 *39 V 8.19 4.00 1.91 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 0.49 0.00 0.00 0.66 0.00 0.00 40 Q 8.35 4.22 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 41 S 7.99 4.41 0.00 3.43 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 42 P 0.00 4.58 0.00 2.19 2.06 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 *44 F 7.66 4.46 0.00 3.22 3.18 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 45 D 8.90 4.44 0.00 2.66 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 46 G 7.06 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 0.00 0.00 0.00 0.00 47 K 8.12 4.58 0.00 1.62 1.67 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.40 7.81 48 V 8.52 4.68 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 0.88 0.00 0.00 0.87 0.00 0.00 49 P 0.00 4.22 0.00 0.49 1.00 0.00 3.43 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 50 H 8.91 4.70 0.00 3.20 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.40 5.16 0.00 3.24 2.99 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 52 Y 8.82 5.21 0.00 2.95 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 53 H 9.02 4.36 0.00 3.43 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.47 4.17 0.00 3.46 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 55 S 8.44 4.48 0.00 4.26 4.36 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.29 4.24 0.00 3.38 3.30 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 57 F 8.55 3.59 0.00 2.80 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 58 W 7.51 4.08 0.00 3.45 3.13 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 59 K 7.98 3.99 0.00 1.93 1.91 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.73 7.81 60 V 7.01 4.26 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 0.76 0.00 0.00 0.46 0.00 0.00 61 G 7.98 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.23 4.90 0.00 2.99 3.00 0.00 5.66 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 63 S 8.41 4.69 0.00 3.86 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 64 I 7.49 4.14 2.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.42 0.91 0.00 0.00 65 R 8.89 4.03 0.00 1.57 1.78 0.00 3.28 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 66 H 8.09 4.75 0.00 3.14 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.14 0.00 1.72 2.11 0.00 3.52 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 68 D 7.35 3.43 0.00 2.69 2.50 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 69 V 7.42 4.01 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 0.79 0.00 0.00 0.99 0.00 0.00 70 E 8.27 4.50 0.00 2.04 2.19 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 2.40 2.50 0.00 71 V 7.76 4.40 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 1.02 0.00 0.00 0.93 0.00 0.00 72 D 8.57 4.52 0.00 2.84 2.67 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 73 G 8.97 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.22 4.10 0.00 3.22 3.10 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 75 S 8.21 4.30 0.00 4.09 4.14 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 76 E 7.82 4.39 0.00 2.11 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 0.00 2.34 2.34 0.00 77 L 7.19 4.37 0.00 1.42 1.42 0.69 0.28 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 78 R 9.15 4.05 0.00 2.04 1.86 0.00 2.98 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 *79 W 8.95 4.06 0.00 2.50 2.32 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 80 D 8.10 4.58 0.00 2.68 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 81 D 8.26 4.36 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 3.51 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 1.43 2.36 0.00 83 Q 8.26 4.09 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 84 K 7.86 3.96 0.00 1.87 1.80 0.00 1.02 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.41 7.81 85 V 8.23 3.94 2.61 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 1.49 0.00 0.00 1.32 0.00 0.00 86 K 8.37 3.95 0.00 2.19 1.91 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.72 7.81 87 K 8.25 3.82 0.00 2.06 1.79 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.64 7.81 88 T 7.59 3.53 3.83 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 -0.32 0.00 0.00 89 A 7.48 3.51 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 90 E 7.93 3.95 0.00 2.05 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 2.30 2.35 0.00 91 A 7.47 4.28 1.14 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.