NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5851 8.4293 117.8303 55.1426 29.7824 171.4020 *2 P 4.1140 0.0000 0.0000 63.1230 32.1941 175.4576 3 A 4.1238 8.0270 121.0389 51.9641 18.9851 176.3342 4 Y 4.4147 8.4672 119.8086 56.1916 39.9808 175.4324 5 V 4.4596 8.0195 124.1374 60.9895 34.5946 173.9567 6 F 5.3768 8.8730 126.2171 55.2815 41.8537 175.5583 7 S 4.4222 8.8795 117.6562 57.8516 63.9494 175.4695 8 K 3.9704 8.8153 120.0670 59.9022 31.6586 179.4174 9 E 4.0153 8.1699 118.0814 59.5748 29.4536 179.4211 10 S 4.2693 8.0678 114.9329 61.4788 62.8616 176.4796 11 F 3.8128 8.6991 123.5903 61.2422 39.1544 177.1167 12 L 3.6827 8.1731 120.9502 58.2825 41.1959 180.2915 13 K 3.9203 7.9087 122.3738 59.6112 31.7679 180.2756 14 F 4.4981 8.4448 122.3353 61.3999 39.2281 177.3052 15 L 3.4932 7.5080 118.3552 57.5796 41.2681 179.3432 16 E 3.9267 7.9985 118.7998 59.2563 29.1919 179.2281 17 G 3.6460 7.5150 103.8911 46.6625 0.0000 174.1157 18 H 4.6822 7.8943 116.7239 55.4923 30.0380 174.4607 19 L 4.5254 7.5167 122.9739 55.5843 42.1936 179.0175 20 E 4.0700 8.4518 118.8181 59.3110 30.4607 179.3444 21 D 4.9179 7.6868 121.2306 52.9086 42.2014 178.4592 22 D 4.7510 8.4107 111.1795 53.9260 38.5101 172.0541 23 V 4.4029 7.3309 121.0308 61.0453 34.1985 175.2181 24 V 4.2567 8.1116 119.4432 59.6768 33.8666 175.0480 25 V 4.2237 7.9016 119.7663 61.0038 33.1856 174.7841 26 V 3.8050 8.3213 127.5999 62.0492 31.9899 174.9933 27 V 4.2925 8.1627 126.5375 60.8628 33.7410 174.3703 28 S 4.6689 8.3761 120.4534 56.7653 64.7551 173.3183 29 S 4.8602 8.8122 120.8074 58.2811 63.3542 174.6345 30 D 4.5409 7.9359 123.1133 53.4645 39.2332 173.4908 31 V 3.9233 7.8155 121.5144 62.2368 31.5832 175.6482 32 T 4.3379 8.5052 118.9445 63.4166 69.9284 174.7488 33 D 4.7289 7.6300 120.8687 53.0473 44.8730 173.7494 34 F 5.2592 8.6308 127.3268 56.8394 42.4345 172.9095 35 C 4.5089 7.8531 119.1825 57.2835 33.3935 172.5420 36 K 5.1052 8.3672 118.8016 55.0493 33.5512 176.3539 37 K 4.7524 9.1386 122.5680 54.7274 36.8162 175.5312 38 L 4.7867 8.6279 123.4942 54.4692 42.8871 176.0255 39 S 5.0052 9.9287 119.0468 56.4161 65.0783 172.4023 40 E 5.0167 8.8682 124.4612 56.0581 32.1712 173.8457 41 S 4.5687 9.0381 117.6442 59.9363 64.4536 176.7696 *43 V 3.7589 9.0423 110.2239 60.3789 33.8159 176.7299 44 G 3.8514 7.9494 107.6734 45.1817 0.0000 172.7906 45 E 5.0996 8.3155 117.0822 54.6932 31.7092 175.9671 46 K 4.6174 8.9577 123.2107 54.7733 35.9586 174.7098 47 E 5.0200 8.7303 126.2295 55.7089 30.8514 175.0761 48 Y 4.5077 8.9836 121.6605 56.2746 41.0223 174.9454 49 C 4.8026 8.5210 120.5382 59.3377 29.9496 173.0349 50 F 4.7699 8.9464 120.3643 55.6028 42.4416 173.7826 51 A 5.0402 8.8589 124.4691 50.1842 21.5548 174.3963 52 E 4.7353 9.1173 124.5089 54.6261 31.8684 174.7018 53 F 5.5318 9.2070 124.5550 55.7408 42.0922 174.2983 54 A 5.0307 8.8247 124.4103 50.3953 20.9364 176.3250 55 F 5.0705 8.0078 114.4724 54.5305 41.0074 172.6755 56 P 4.4073 0.0000 0.0000 62.5787 31.9452 176.8255 57 A 4.4548 8.6569 125.3012 55.0374 18.6682 178.8112 58 D 4.6982 8.1513 113.0689 54.6608 39.4609 176.9330 59 I 3.9402 7.5981 112.8674 61.9852 38.3724 175.6648 60 F 4.8473 8.0529 120.2339 56.3094 40.5942 175.5940 61 D 4.9091 8.1914 122.7404 51.0673 40.3607 174.7177 62 A 4.5454 7.3828 120.4707 49.7491 22.4049 177.0814 63 D 4.6938 8.3496 122.1199 52.4501 42.2797 177.0626 64 E 3.8404 8.5164 118.6246 59.6107 29.5178 178.3251 65 D 4.3139 8.0773 118.5069 57.1692 40.7190 178.4282 66 E 3.9361 8.0920 118.2083 59.4937 29.5722 179.0750 67 I 3.5940 7.2965 118.5563 64.1106 37.1214 177.3932 68 D 4.5064 8.0134 118.2843 57.2265 42.3212 178.3187 69 E 4.2076 7.7972 117.8663 55.0589 25.7555 176.4099 *72 K 4.0009 6.9579 117.5738 57.0658 34.3998 175.5113 73 Y 4.7550 7.9503 115.6223 56.7526 41.9570 174.3221 74 A 4.4697 8.5753 126.0638 50.5929 20.7102 176.6921 75 I 4.6479 7.9403 114.0584 58.8252 40.4020 175.0908 76 V 4.1537 8.1470 121.5178 60.9838 34.1087 174.5796 77 F 4.9138 8.3681 125.6239 56.2421 39.5343 175.3177 78 V 4.3831 8.2150 125.2848 60.3859 33.8345 174.8490 79 E 3.9535 8.9234 125.9861 56.8887 30.2410 177.9179 80 K 3.7408 9.1855 125.3838 60.6299 32.2228 178.8652 81 E 4.2923 8.1526 110.1633 56.3671 29.2850 178.6743 82 K 4.5458 7.9763 118.3317 56.9159 33.0965 176.1235 83 L 4.3275 7.5673 117.3901 54.7111 42.6296 177.4666 84 S 4.5822 8.2998 118.9546 58.3043 65.9563 175.4991 85 E 4.0064 8.5673 119.5162 61.1196 29.5111 175.2766 86 A 4.2691 7.9807 120.9766 54.8935 18.2861 179.7521 87 G 3.5194 7.9211 103.2914 48.1185 0.0000 175.5183 88 R 4.0484 7.8966 121.1650 59.0232 29.8761 178.3874 89 N 4.2162 7.9422 115.1759 56.5974 38.9917 175.8427 90 A 4.2321 7.5049 118.1627 51.3910 19.3428 177.5850 91 I 3.8316 6.8507 118.9467 61.6031 38.1176 176.5082 92 R 4.1572 8.3866 121.6123 56.3845 30.2531 175.9154 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 0 H 8.43 4.59 0.00 3.09 3.26 0.00 5.70 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 *2 P 0.00 4.11 0.00 1.89 2.03 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.93 0.00 3 A 8.03 4.12 1.15 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 4 Y 8.47 4.41 0.00 2.95 2.87 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 5 V 8.02 4.46 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 1.00 0.00 0.00 0.89 0.00 0.00 6 F 8.87 5.38 0.00 2.96 3.12 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 0.00 7 S 8.88 4.42 0.00 4.06 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 8 K 8.82 3.97 0.00 1.83 1.93 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 9 E 8.17 4.02 0.00 2.02 2.03 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 2.42 2.36 0.00 10 S 8.07 4.27 0.00 4.17 4.41 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 11 F 8.70 3.81 0.00 3.15 3.31 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 12 L 8.17 3.68 0.00 1.84 1.61 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.91 3.92 0.00 1.86 1.73 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 14 F 8.44 4.50 0.00 2.85 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 15 L 7.51 3.49 0.00 1.31 1.36 0.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.00 3.93 0.00 2.12 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 0.00 2.24 2.32 0.00 17 G 7.52 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 18 H 7.89 4.68 0.00 3.02 3.24 0.00 5.84 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 19 L 7.52 4.53 0.00 1.58 1.62 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.45 4.07 0.00 1.99 1.86 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 2.23 1.87 0.00 21 D 7.69 4.92 0.00 2.68 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 22 D 8.41 4.75 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 4.40 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 0.98 0.00 0.00 0.93 0.00 0.00 24 V 8.11 4.26 2.04 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 0.73 0.00 0.00 0.89 0.00 0.00 25 V 7.90 4.22 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 0.89 0.00 0.00 26 V 8.32 3.81 1.95 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 0.60 0.00 0.00 0.78 0.00 0.00 27 V 8.16 4.29 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 0.84 0.00 0.00 0.90 0.00 0.00 28 S 8.38 4.67 0.00 3.90 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 29 S 8.81 4.86 0.00 4.06 3.96 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 0.00 0.00 0.00 30 D 7.94 4.54 0.00 2.90 2.92 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 31 V 7.82 3.92 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 0.76 0.00 0.00 0.64 0.00 0.00 32 T 8.51 4.34 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 33 D 7.63 4.73 0.00 2.77 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 5.26 0.00 3.00 2.89 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 35 C 7.85 4.51 0.00 2.94 2.87 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 36 K 8.37 5.11 0.00 1.66 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.50 7.81 37 K 9.14 4.75 0.00 1.70 1.64 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.34 7.81 38 L 8.63 4.79 0.00 1.57 1.64 1.00 0.88 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 39 S 9.93 5.01 0.00 4.00 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 40 E 8.87 5.02 0.00 2.01 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 0.00 2.20 2.29 0.00 41 S 9.04 4.57 0.00 3.95 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 *43 V 9.04 3.76 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 0.93 0.00 0.00 44 G 7.95 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 0.00 0.00 0.00 45 E 8.32 5.10 0.00 1.87 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 2.26 2.31 0.00 46 K 8.96 4.62 0.00 1.81 1.73 0.00 0.90 0.00 0.00 1.28 0.00 0.00 2.64 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.52 7.81 47 E 8.73 5.02 0.00 1.83 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 2.34 0.00 48 Y 8.98 4.51 0.00 3.09 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.52 4.80 0.00 2.89 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 50 F 8.95 4.77 0.00 2.83 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 51 A 8.86 5.04 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 52 E 9.12 4.74 0.00 2.06 1.78 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 2.26 2.34 0.00 53 F 9.21 5.53 0.00 3.02 3.07 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 0.00 0.00 0.00 0.00 54 A 8.82 5.03 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 55 F 8.01 5.07 0.00 3.21 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 56 P 0.00 4.41 0.00 2.13 2.07 0.00 3.86 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 2.09 2.15 0.00 57 A 8.66 4.45 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 58 D 8.15 4.70 0.00 2.80 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 59 I 7.60 3.94 1.62 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.84 0.00 0.00 60 F 8.05 4.85 0.00 3.22 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 61 D 8.19 4.91 0.00 2.65 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 0.00 0.00 0.00 0.00 62 A 7.38 4.55 1.22 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 63 D 8.35 4.69 0.00 2.94 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 64 E 8.52 3.84 0.00 2.01 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 0.00 2.32 2.33 0.00 65 D 8.08 4.31 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 66 E 8.09 3.94 0.00 2.06 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 2.33 2.33 0.00 67 I 7.30 3.59 1.62 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.30 0.43 0.00 0.00 68 D 8.01 4.51 0.00 2.83 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 69 E 7.80 4.21 0.00 2.17 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 2.33 2.29 0.00 *72 K 6.96 4.00 0.00 1.77 1.75 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.34 7.81 73 Y 7.95 4.76 0.00 2.98 2.92 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 74 A 8.58 4.47 1.36 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 0.00 0.00 75 I 7.94 4.65 1.78 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 1.05 0.00 0.00 76 V 8.15 4.15 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 0.85 0.00 0.00 0.99 0.00 0.00 77 F 8.37 4.91 0.00 3.01 2.82 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 78 V 8.22 4.38 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 0.85 0.00 0.00 0.96 0.00 0.00 79 E 8.92 3.95 0.00 2.04 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 2.42 2.31 0.00 80 K 9.19 3.74 0.00 1.90 1.88 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.04 7.81 81 E 8.15 4.29 0.00 1.99 1.83 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 2.23 1.86 0.00 82 K 7.98 4.55 0.00 1.70 1.79 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 83 L 7.57 4.33 0.00 1.81 1.56 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.30 4.58 0.00 4.02 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 85 E 8.57 4.01 0.00 2.00 2.00 0.00 0.00 0.00 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 1.94 0.00 86 A 7.98 4.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.05 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 89 N 7.94 4.22 0.00 2.84 2.86 0.00 0.00 7.23 7.42 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 90 A 7.50 4.23 1.19 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 0.00 0.00 0.00 0.00 0.00 91 I 6.85 3.83 1.84 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 1.28 0.54 0.90 0.00 0.00 92 R 8.39 4.16 0.00 1.62 1.68 0.00 2.21 0.00 0.00 2.72 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.