NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3872 0.0000 0.0000 62.6668 32.6679 174.8320 2 Q 4.4087 8.4413 119.2635 53.6695 31.0348 172.9407 3 I 4.4126 8.1063 125.9225 59.6092 40.0667 175.3354 4 T 4.2817 8.3896 115.8538 61.1842 69.9874 174.1627 5 L 4.6827 7.5939 117.9602 54.2859 42.2697 178.0962 6 W 4.4509 8.1239 121.4741 58.9349 29.1122 176.0440 7 K 4.7865 7.7357 114.8578 53.6506 35.2459 175.7782 8 R 3.9778 8.5242 119.1123 56.5895 30.4554 176.4336 9 P 4.6455 0.0000 0.0000 62.2280 30.0444 173.5135 10 L 5.0729 7.8959 126.1542 54.3433 43.6250 175.9210 11 V 4.6213 8.7988 115.7411 59.8580 36.7003 174.4006 12 T 4.9355 8.4439 118.7360 62.9275 69.3571 174.5821 13 I 4.8383 8.8534 119.2299 59.0092 41.5961 174.0551 14 R 5.0216 8.8718 123.7971 54.6406 32.8760 174.3916 15 I 4.5814 8.9607 126.3255 60.0250 41.7848 175.0188 16 G 3.9150 8.9347 119.2271 46.6223 0.0000 174.6327 17 G 3.9269 8.5261 105.9919 45.0047 0.0000 173.9157 18 Q 4.6464 8.1752 119.4004 53.7716 31.0645 174.4860 19 L 4.9479 8.2813 121.8818 54.1615 42.8949 176.1120 20 K 4.7240 9.0604 121.6599 54.8052 37.2510 174.4148 21 E 5.0675 8.7037 121.9552 54.9026 31.1053 174.7173 22 A 4.9109 9.0800 127.2900 50.3051 23.7542 174.1383 23 L 4.8523 8.8956 121.7905 53.5990 43.9569 175.6748 24 L 4.4593 8.7190 127.3533 54.7164 42.2337 176.4127 25 D 4.8708 9.0655 126.0610 52.2701 42.2645 176.6014 26 T 3.9509 8.7001 116.5262 63.6735 69.0976 175.5725 27 G 3.8357 8.1599 110.0745 45.3820 0.0000 172.7667 28 A 4.6583 7.7964 123.0059 50.0390 20.5029 178.1008 29 D 4.4520 8.9222 122.7813 56.6637 42.2817 175.7899 30 D 5.1094 8.0158 116.1304 52.7086 45.6332 174.7312 31 T 4.7681 7.9510 116.0346 62.1244 70.9956 174.3951 32 V 4.8402 8.8207 125.5493 61.2768 34.7459 174.1449 33 I 4.9725 8.7908 128.8517 59.2551 40.4955 175.0849 34 E 4.6719 10.0750 127.2045 55.8506 30.4023 176.3288 35 E 3.3272 8.6150 119.8251 57.4102 30.9601 174.7603 *37 N 4.7868 8.0523 113.2649 53.7345 39.7661 172.3585 38 L 4.7258 8.5455 122.8590 54.3635 43.6982 171.6623 39 P 4.4649 0.0000 0.0000 64.0548 31.8419 177.0792 40 G 3.8122 8.3859 111.4787 43.8928 0.0000 172.9033 *42 W 4.7255 7.8172 121.4370 56.0653 29.5472 175.4538 43 K 4.7683 8.4473 118.1572 54.2900 35.7495 173.7550 44 P 5.0907 0.0000 0.0000 63.3414 32.2532 175.9690 45 K 4.2860 8.5086 122.7717 55.8708 36.6881 174.6322 *47 I 4.3146 8.4686 110.7139 60.9077 38.6223 174.6245 48 G 3.4365 7.6755 109.2912 43.7907 0.0000 172.0812 49 G 3.7995 7.6444 106.1488 45.6367 0.0000 174.8425 50 I 3.9096 8.3511 116.6207 61.6897 35.8411 175.7939 *52 G 3.9867 7.4965 113.6623 45.5747 0.0000 169.8321 53 F 5.3366 8.9010 121.4199 55.5374 41.8739 174.4317 54 I 4.7885 8.2319 116.0527 58.9819 40.4725 175.0135 55 K 4.5863 8.6054 122.9329 56.2996 33.1645 176.5749 56 V 4.6423 8.9386 117.0022 59.7560 36.9255 174.4579 57 R 4.6045 8.8646 121.2615 54.6577 31.8359 175.4783 58 Q 4.7595 9.2127 127.0852 55.4569 30.5309 173.8833 59 Y 5.1767 9.2734 124.4637 56.4390 40.8930 174.6677 60 D 5.1421 8.9075 122.5331 52.6911 43.7465 175.7168 61 Q 3.4050 8.3848 116.5469 57.1547 26.4827 174.3279 62 I 4.3294 8.0092 118.7780 59.4034 39.0072 175.0459 63 P 4.8364 0.0000 0.0000 62.6422 32.7414 175.7583 64 V 4.6964 8.8787 124.3942 61.4507 34.8568 173.2724 65 E 4.8771 9.0692 129.9134 54.8079 31.4492 176.4743 66 I 4.7072 8.7541 128.3895 61.2966 38.3359 177.1584 *68 G 3.8220 8.2163 107.4493 45.1540 0.0000 172.8193 69 H 4.7691 8.4403 118.9560 53.7870 30.0687 174.3432 70 K 4.5951 8.5695 124.2232 56.3322 32.7781 176.1300 71 A 4.9222 8.7799 125.0325 50.6408 23.4778 174.6916 72 I 4.6903 8.5014 118.9496 60.4411 41.4774 174.4325 73 G 4.0586 8.2277 114.9642 46.7076 0.0000 171.6011 74 T 4.8653 8.7218 116.8946 63.3406 69.4767 174.7788 75 V 4.4742 9.0002 125.6220 61.1012 34.9894 173.8897 76 L 5.1563 9.0056 128.0804 53.2422 43.9322 175.4636 77 V 5.1105 8.1354 123.7821 60.3673 34.2428 174.9333 78 G 3.9352 7.9484 113.1250 45.2027 0.0000 171.2961 79 P 4.8627 0.0000 0.0000 61.9987 29.6482 175.6563 80 T 4.2298 7.3679 116.3129 61.2384 68.6142 172.8908 81 P 4.3913 0.0000 0.0000 65.1181 31.6577 176.7025 82 V 4.4087 7.2644 118.0789 61.0777 34.8785 173.4691 83 N 4.7542 8.7652 124.6034 53.4319 39.8631 173.8721 84 I 4.9197 9.1306 124.0389 59.5809 41.0181 174.4095 85 I 4.3890 9.0299 128.9179 60.1636 38.7728 175.7941 86 G 4.4514 8.4075 115.6856 43.7313 0.0000 174.0284 87 R 4.1278 8.9885 118.5378 58.9073 30.2104 179.1829 88 N 4.3567 7.7811 114.7950 55.2757 37.5144 176.3453 89 L 4.4549 7.7437 117.4130 55.9437 42.2709 178.6002 90 L 4.0486 7.9915 119.4478 57.8474 41.4281 179.5212 91 T 3.9043 8.0031 109.9209 64.9632 68.4097 176.6310 92 Q 4.1178 7.8091 119.6367 57.7256 28.7692 176.9211 93 I 4.0147 7.2547 110.9356 59.7992 38.0270 171.8036 94 G 3.6451 7.5758 118.1952 45.3910 0.0000 173.5672 *96 T 4.1134 8.0863 114.5445 61.0810 69.9035 173.2389 97 L 4.6124 8.2056 122.1532 53.7021 43.0890 176.1927 98 N 5.0490 8.5353 119.2846 51.5639 42.3161 174.4704 99 F 4.5017 8.2655 116.6840 57.3560 37.6057 173.9320 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 P 0.00 4.39 0.00 2.21 2.16 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 2 Q 8.44 4.41 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 3 I 8.11 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.92 0.00 0.00 4 T 8.39 4.28 4.12 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 0.00 0.00 1.29 0.00 0.00 5 L 7.59 4.68 0.00 1.35 1.53 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.12 4.45 0.00 3.28 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 7 K 7.74 4.79 0.00 1.76 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.52 7.81 8 R 8.52 3.98 0.00 1.80 1.89 0.00 3.21 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 P 0.00 4.65 0.00 2.10 2.20 0.00 3.67 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 2.15 1.97 0.00 10 L 7.90 5.07 0.00 1.55 1.63 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.80 4.62 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 0.75 0.00 0.00 0.98 0.00 0.00 12 T 8.44 4.94 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 13 I 8.85 4.84 1.92 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 1.20 0.86 0.91 0.00 0.00 14 R 8.87 5.02 0.00 1.85 1.77 0.00 3.06 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 15 I 8.96 4.58 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.97 0.91 0.00 0.00 16 G 8.93 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.53 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 18 Q 8.18 4.65 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 19 L 8.28 4.95 0.00 1.52 1.58 0.92 0.89 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 20 K 9.06 4.72 0.00 1.61 1.62 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 21 E 8.70 5.07 0.00 1.96 1.82 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 2.21 2.29 0.00 22 A 9.08 4.91 1.17 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 0.00 0.00 23 L 8.90 4.85 0.00 1.72 1.64 0.91 0.77 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 24 L 8.72 4.46 0.00 1.55 1.61 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.07 4.87 0.00 2.65 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 26 T 8.70 3.95 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 1.20 0.00 0.00 27 G 8.16 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 0.00 0.00 0.00 28 A 7.80 4.66 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 29 D 8.92 4.45 0.00 2.62 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 30 D 8.02 5.11 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.77 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 1.23 0.00 0.00 32 V 8.82 4.84 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 1.02 0.00 0.00 0.93 0.00 0.00 33 I 8.79 4.97 1.83 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 1.10 1.36 0.87 0.00 0.00 34 E 10.07 4.67 0.00 1.91 1.82 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 2.30 2.07 0.00 35 E 8.61 3.33 0.00 2.16 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 2.17 2.28 0.00 *37 N 8.05 4.79 0.00 2.76 2.75 0.00 0.00 6.93 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 38 L 8.55 4.73 0.00 1.47 1.44 0.08 0.80 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 39 P 0.00 4.46 0.00 2.41 2.15 0.00 3.62 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 2.25 2.18 0.00 40 G 8.39 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 *42 W 7.82 4.73 0.00 3.01 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 0.00 0.00 0.00 0.00 43 K 8.45 4.77 0.00 1.78 1.83 0.00 1.30 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.38 7.81 44 P 0.00 5.09 0.00 2.18 2.27 0.00 3.77 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 2.01 1.99 0.00 45 K 8.51 4.29 0.00 1.91 1.63 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 *47 I 8.47 4.31 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.96 0.00 0.00 48 G 7.68 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.64 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 0.00 0.00 0.00 50 I 8.35 3.91 1.83 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 1.32 0.53 0.89 0.00 0.00 *52 G 7.50 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 0.00 0.00 0.00 53 F 8.90 5.34 0.00 2.94 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 54 I 8.23 4.79 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.92 0.00 0.00 55 K 8.61 4.59 0.00 1.68 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 56 V 8.94 4.64 2.14 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 0.91 0.00 0.00 1.01 0.00 0.00 57 R 8.86 4.60 0.00 1.22 0.66 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 58 Q 9.21 4.76 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 59 Y 9.27 5.18 0.00 2.91 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 60 D 8.91 5.14 0.00 2.60 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 61 Q 8.38 3.40 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 62 I 8.01 4.33 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.85 0.00 0.00 63 P 0.00 4.84 0.00 2.06 1.97 0.00 3.54 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 64 V 8.88 4.70 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 0.91 0.00 0.00 0.94 0.00 0.00 65 E 9.07 4.88 0.00 2.10 1.79 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 2.27 2.29 0.00 66 I 8.75 4.71 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.91 0.00 0.00 *68 G 8.22 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 0.00 0.00 0.00 69 H 8.44 4.77 0.00 3.34 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.57 4.60 0.00 1.65 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.44 7.81 71 A 8.78 4.92 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 72 I 8.50 4.69 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 1.18 0.83 0.92 0.00 0.00 73 G 8.23 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 74 T 8.72 4.87 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 1.33 0.00 0.00 75 V 9.00 4.47 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 1.06 0.00 0.00 0.93 0.00 0.00 76 L 9.01 5.16 0.00 1.72 1.58 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.14 5.11 2.23 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 1.35 0.00 0.00 0.91 0.00 0.00 78 G 7.95 3.94 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 0.00 0.00 0.00 79 P 0.00 4.86 0.00 2.18 2.09 0.00 3.85 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 80 T 7.37 4.23 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 1.24 0.00 0.00 81 P 0.00 4.39 0.00 2.20 2.16 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 82 V 7.26 4.41 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 0.74 0.00 0.00 0.92 0.00 0.00 83 N 8.77 4.75 0.00 2.86 2.71 0.00 0.00 6.91 7.73 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 84 I 9.13 4.92 1.86 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 1.21 0.92 0.94 0.00 0.00 85 I 9.03 4.39 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.04 0.91 0.00 0.00 86 G 8.41 4.45 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 0.00 0.00 0.00 87 R 8.99 4.13 0.00 1.85 2.00 0.00 3.14 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 88 N 7.78 4.36 0.00 2.84 3.10 0.00 0.00 6.91 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 89 L 7.74 4.45 0.00 1.70 1.74 0.92 0.68 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 90 L 7.99 4.05 0.00 1.70 1.71 0.96 0.35 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 91 T 8.00 3.90 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 1.28 0.00 0.00 92 Q 7.81 4.12 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 93 I 7.25 4.01 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.92 0.00 0.00 94 G 7.58 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 *96 T 8.09 4.11 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 1.20 0.00 0.00 97 L 8.21 4.61 0.00 1.72 1.76 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.54 5.05 0.00 2.65 2.67 0.00 0.00 6.80 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 99 F 8.27 4.50 0.00 3.05 2.84 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 * Residues marked with a * may have inaccurate shift predictions.