NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.6729 8.3644 119.5546 52.8044 42.1394 175.3223 3 Q 4.4500 7.9146 120.7481 52.6741 32.4386 172.9395 4 K 4.5489 8.7278 124.4642 56.1840 35.0961 177.5900 5 L 4.0324 8.7835 124.9011 58.1608 42.0557 179.6417 6 S 4.0980 8.2401 114.3614 61.8995 62.8539 176.5001 7 D 4.4899 8.1079 122.5499 56.4199 40.3775 178.1900 8 F 4.2322 8.2741 120.6063 61.9248 39.7244 176.7088 9 H 4.1789 8.5491 115.4455 58.7496 28.5028 177.7232 10 A 4.2643 8.3676 124.8450 55.2855 17.8866 179.9098 11 E 3.8750 7.7683 116.5446 61.3047 29.7540 183.4865 12 S 4.7895 7.8932 113.6851 58.8487 63.8797 175.0735 13 G 3.8669 7.7511 107.1080 43.8708 0.0000 173.9766 14 G 3.9672 8.1864 110.7348 44.4576 0.0000 174.5082 15 C 4.2796 8.3987 115.1206 62.4864 28.1300 175.7939 16 E 4.5870 8.1370 115.8548 57.5905 29.6677 177.8116 17 S 4.2993 7.8365 114.5568 61.0013 62.7399 174.9722 18 C 4.6607 8.1406 116.9326 59.6580 30.2586 173.0222 19 H 5.2161 7.9987 117.1525 53.1362 30.5043 173.6804 20 K 3.7574 8.0225 125.3681 57.7559 32.1202 176.1031 21 D 4.1573 9.6123 124.8178 55.2286 38.4037 174.3111 22 G 3.9752 8.4094 104.3821 46.2317 0.0000 174.1424 23 T 4.5438 7.6194 115.7745 60.2041 71.0686 172.4746 24 P 4.4107 0.0000 0.0000 62.5968 31.8711 176.4196 25 S 4.4067 8.6525 116.1736 57.4090 64.0343 174.2295 26 A 4.1524 8.5524 123.6071 54.6977 18.0931 178.0146 27 D 4.7135 7.7402 110.4378 52.2838 40.9466 176.4240 28 G 4.2212 8.7518 108.4663 45.7705 0.0000 175.6114 29 A 4.1342 8.4778 123.0400 55.0961 18.4037 179.9266 30 F 3.9997 8.3447 118.7194 61.4509 39.6018 176.9008 31 E 4.3235 8.4277 119.0372 58.9932 29.3960 178.9446 32 F 4.4412 8.4861 120.3358 61.3504 39.4364 176.8437 33 A 3.6623 8.1695 120.4577 55.2114 18.0723 179.7094 34 Q 3.7828 7.8702 116.3714 59.1408 28.8045 178.4643 35 C 4.1102 8.1561 117.7823 63.2785 28.1737 176.4454 36 Q 4.5674 7.8290 120.5904 58.2774 27.9602 178.5874 37 S 3.9806 7.7538 113.6780 61.4156 62.4666 175.4844 38 C 4.2941 7.7685 117.5768 61.6042 28.3060 174.7305 39 H 4.7777 8.3771 115.6221 54.8779 30.4694 174.2379 40 G 3.7571 8.4563 108.8548 45.0740 0.0000 172.8425 41 K 4.8122 8.1022 118.5864 52.3448 34.0373 173.6507 42 L 4.1206 8.6296 120.4191 58.2331 41.7017 180.0023 43 S 4.2466 8.1607 111.5970 60.4654 62.9175 174.5349 44 E 4.5020 8.1865 119.0628 56.3327 29.7445 175.5114 45 M 4.5332 7.4896 120.2768 53.7775 34.5007 175.1567 46 D 4.7165 8.2369 119.4645 53.2661 42.1568 176.1864 47 A 4.0842 8.3950 119.9342 54.4462 18.3768 179.3236 48 V 3.7642 7.8127 116.6682 65.7978 31.9099 177.5742 49 H 4.4212 8.3265 115.4037 58.5955 29.0210 177.1298 50 K 4.0343 8.3479 121.7255 59.3295 31.7351 176.8224 51 P 4.3009 0.0000 0.0000 65.1893 31.5142 176.5448 52 H 4.6507 8.3016 114.4637 55.5539 29.0184 174.2493 53 D 4.4839 7.8977 120.7658 56.4908 40.8998 176.3939 54 G 4.0978 9.4095 116.1039 45.0963 0.0000 172.7272 55 N 4.9582 8.2070 114.6725 52.2460 39.2141 174.4663 56 L 4.8362 7.5896 116.6396 52.9304 45.8513 175.9986 57 V 3.1039 8.0386 114.1576 59.4082 33.4762 177.3118 58 C 4.0721 8.4358 118.4580 63.2006 27.3376 176.3973 59 A 4.9377 7.7914 120.3880 53.9112 18.1526 178.8111 60 D 4.5058 7.8457 115.2764 56.4172 41.2205 176.7835 61 C 4.3996 7.4311 111.6164 61.2702 30.0351 174.1615 62 H 4.4036 8.3047 120.9265 54.6813 27.5726 174.6054 63 A 4.7105 8.1907 129.3333 50.6876 17.6447 177.9239 64 V 3.6446 8.1662 115.9515 64.9109 31.9993 178.0852 65 H 4.7293 8.1262 113.5249 55.5929 29.1146 175.1542 66 D 4.8524 7.9217 117.7228 54.3558 43.0841 176.0216 67 M 4.5410 8.1308 119.5307 53.4951 33.6994 175.6451 68 N 4.9618 8.3837 120.0662 52.3340 39.6941 174.7507 69 V 3.4817 8.2035 120.9311 64.9378 31.7355 176.5322 70 G 3.8964 8.7497 115.4432 45.1988 0.0000 173.1648 71 Q 4.0177 7.7581 121.4477 55.7498 29.2347 175.3397 72 K 4.3519 8.4375 125.3920 54.6039 33.1951 175.1723 73 P 4.2926 0.0000 0.0000 62.9123 31.8120 175.6236 74 T 4.6160 8.0983 110.9402 60.4101 71.4775 173.3477 75 C 4.6825 8.2598 116.2438 59.7738 29.4611 175.7179 76 E 4.5029 8.3382 116.5819 57.6363 29.5702 178.0754 77 S 4.3160 7.9791 113.4238 60.3313 63.4293 174.3825 78 C 4.7473 7.9253 115.3339 58.9468 30.2751 173.4008 79 H 4.9271 8.3435 119.4621 54.7422 30.9359 174.5290 80 D 4.8773 8.7038 120.7531 53.1677 40.4505 174.9410 81 D 4.6071 8.0564 117.1669 54.1842 39.8697 177.3788 82 G 3.9258 8.2241 107.9528 45.4878 0.0000 174.1260 83 R 4.0651 7.9063 116.0930 56.2591 29.9276 176.2460 84 T 4.7496 8.3278 109.5236 59.1917 73.2662 175.1992 85 S 4.1071 8.5147 115.5824 61.5190 62.6725 176.3662 86 A 4.0108 7.8955 123.4701 54.9301 18.2824 179.2988 87 S 4.1823 8.1581 112.1164 61.1812 63.1375 176.2609 88 V 3.9037 7.3513 120.7492 64.5716 31.6488 175.6236 89 L 4.1974 8.1501 122.7792 54.9138 41.5476 176.4555 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 *2 D 8.36 4.67 0.00 2.44 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 3 Q 7.91 4.45 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 4 K 8.73 4.55 0.00 1.99 1.74 0.00 1.86 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.48 7.81 5 L 8.78 4.03 0.00 1.85 1.89 0.91 1.19 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 6 S 8.24 4.10 0.00 3.89 3.77 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 7 D 8.11 4.49 0.00 2.93 2.81 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 8 F 8.27 4.23 0.00 3.06 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.55 4.18 0.00 3.49 3.36 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.37 4.26 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 11 E 7.77 3.87 0.00 2.12 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 2.27 2.24 0.00 12 S 7.89 4.79 0.00 3.68 3.85 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 13 G 7.75 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 0.00 0.00 0.00 14 G 8.19 3.97 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 0.00 0.00 0.00 15 C 8.40 4.28 0.00 3.05 3.08 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 0.00 0.00 0.00 16 E 8.14 4.59 0.00 2.39 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 0.00 2.27 1.86 0.00 17 S 7.84 4.30 0.00 4.06 4.18 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 18 C 8.14 4.66 0.00 2.84 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 19 H 8.00 5.22 0.00 3.32 3.31 0.00 5.63 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 20 K 8.02 3.76 0.00 0.79 1.03 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.13 1.27 7.81 21 D 9.61 4.16 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 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 0.00 0.00 0.00 23 T 7.62 4.54 4.17 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 1.16 0.00 0.00 24 P 0.00 4.41 0.00 2.14 1.93 0.00 3.67 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 1.93 1.87 0.00 25 S 8.65 4.41 0.00 4.06 3.97 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 26 A 8.55 4.15 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 27 D 7.74 4.71 0.00 2.76 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 28 G 8.75 4.22 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 0.00 0.00 0.00 29 A 8.48 4.13 1.49 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 0.00 0.00 30 F 8.34 4.00 0.00 3.22 3.11 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 0.00 0.00 0.00 0.00 31 E 8.43 4.32 0.00 2.38 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 2.50 2.63 0.00 32 F 8.49 4.44 0.00 3.09 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 33 A 8.17 3.66 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 34 Q 7.87 3.78 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 1.96 2.49 0.00 35 C 8.16 4.11 0.00 3.04 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 36 Q 7.83 4.57 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.29 1.89 0.00 37 S 7.75 3.98 0.00 3.82 3.95 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 0.00 0.00 0.00 38 C 7.77 4.29 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 39 H 8.38 4.78 0.00 3.26 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.46 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 41 K 8.10 4.81 0.00 1.68 1.67 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.00 7.81 42 L 8.63 4.12 0.00 1.80 1.85 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.16 4.25 0.00 3.99 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 0.00 44 E 8.19 4.50 0.00 2.32 1.99 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 2.25 2.12 0.00 45 M 7.49 4.53 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.43 0.00 46 D 8.24 4.72 0.00 2.97 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 47 A 8.40 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.76 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 0.78 0.00 0.00 0.94 0.00 0.00 49 H 8.33 4.42 0.00 3.44 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.35 4.03 0.00 2.05 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.53 7.81 51 P 0.00 4.30 0.00 1.85 2.02 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 52 H 8.30 4.65 0.00 3.41 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.90 4.48 0.00 2.72 2.70 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 54 G 9.41 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 55 N 8.21 4.96 0.00 2.79 2.90 0.00 0.00 6.68 8.04 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 56 L 7.59 4.84 0.00 1.54 1.44 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.04 3.10 1.12 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 0.07 0.00 0.00 0.74 0.00 0.00 58 C 8.44 4.07 0.00 3.08 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.94 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 60 D 7.85 4.51 0.00 2.72 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 61 C 7.43 4.40 0.00 2.80 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 62 H 8.30 4.40 0.00 3.18 3.26 0.00 5.60 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 63 A 8.19 4.71 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 64 V 8.17 3.64 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 0.79 0.00 0.00 0.96 0.00 0.00 65 H 8.13 4.73 0.00 3.16 3.36 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.92 4.85 0.00 2.65 2.70 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 67 M 8.13 4.54 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 68 N 8.38 4.96 0.00 2.74 2.71 0.00 0.00 6.75 7.68 0.00 0.00 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 8.20 3.48 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 0.36 0.00 0.00 0.62 0.00 0.00 70 G 8.75 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 0.00 0.00 0.00 71 Q 7.76 4.02 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 72 K 8.44 4.35 0.00 1.77 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.44 7.81 73 P 0.00 4.29 0.00 1.92 2.02 0.00 3.56 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 74 T 8.10 4.62 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 1.20 0.00 0.00 75 C 8.26 4.68 0.00 3.10 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 76 E 8.34 4.50 0.00 2.07 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 2.27 2.19 0.00 77 S 7.98 4.32 0.00 3.98 4.02 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 78 C 7.93 4.75 0.00 2.76 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 79 H 8.34 4.93 0.00 3.27 3.13 0.00 5.59 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.70 4.88 0.00 2.68 2.54 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 0.00 0.00 0.00 0.00 81 D 8.06 4.61 0.00 2.77 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 82 G 8.22 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 83 R 7.91 4.07 0.00 1.92 2.01 0.00 2.76 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 84 T 8.33 4.75 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 1.20 0.00 0.00 85 S 8.51 4.11 0.00 4.07 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 86 A 7.90 4.01 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 87 S 8.16 4.18 0.00 4.03 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 88 V 7.35 3.90 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 0.89 0.00 0.00 0.91 0.00 0.00 89 L 8.15 4.20 0.00 1.70 1.57 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.