NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2952 8.3044 120.3534 54.9509 34.1451 174.7714 2 V 4.1139 7.7151 118.8446 60.9859 31.9704 173.2743 3 Y 4.5335 8.9348 130.6137 56.1659 41.2186 173.6252 4 Q 4.8628 7.6180 127.7598 54.2306 29.8349 175.3749 5 V 4.1403 8.0788 120.6305 62.0211 31.7806 177.1947 6 K 4.0586 9.8986 124.2975 59.0115 32.4443 176.5108 7 D 4.3804 7.5397 115.7617 51.4032 41.7349 176.0936 8 K 3.8217 8.6091 118.8241 59.9296 31.5860 178.0503 9 A 3.9808 7.9878 118.8612 55.3058 18.5106 178.5110 10 D 4.4402 8.5269 116.4198 57.4792 41.3384 178.2137 11 L 4.0516 8.2448 121.0281 57.6045 43.1602 176.5718 12 D 5.1541 8.4225 120.2512 50.9641 38.1919 175.7064 13 G 4.6806 7.4569 121.9940 45.8114 0.0000 172.8246 14 Q 3.9331 7.4356 121.0370 58.8271 28.7426 178.2121 15 L 4.0606 7.7103 119.3014 57.8510 41.9305 179.3568 16 T 4.0045 7.7111 115.2197 66.7178 68.3547 176.5605 17 K 3.8748 8.2810 119.2032 59.5636 32.1587 178.5804 18 A 3.9877 8.0197 120.8852 52.6263 18.3363 179.0364 19 S 3.7023 8.3759 109.8655 59.9987 62.3219 172.0227 20 G 4.4478 8.8880 104.0286 45.1972 0.0000 172.8828 21 K 4.5152 7.3425 118.6927 54.4140 34.0649 176.5005 22 L 4.2512 8.4364 124.8180 55.4338 43.2410 175.5149 23 V 4.7987 9.0996 127.1944 61.2095 34.0273 174.2836 24 V 4.4575 8.6517 127.8573 61.1414 33.9345 173.9774 25 L 4.8185 8.5792 128.8312 53.3889 43.6756 175.3000 26 D 4.4872 8.9127 125.6986 52.5138 42.0157 174.2767 27 F 4.7411 8.8488 125.2050 56.8675 40.3094 174.9111 28 F 5.1116 8.5424 117.9399 55.7506 42.1284 172.7177 29 A 4.3635 7.9963 118.3899 50.1601 21.9014 177.4827 30 T 4.1390 8.4983 110.0042 62.9694 69.2269 175.1075 31 W 4.6355 7.1565 117.8945 56.4839 28.7727 176.7210 32 C 4.6119 7.4937 120.8122 55.4451 42.3714 173.7703 33 G 3.6499 8.7018 115.7522 47.5303 0.0000 173.1891 34 P 4.3699 0.0000 0.0000 65.4474 30.9773 179.1401 35 C 4.2840 8.0156 115.3566 59.8509 34.6434 175.6691 36 K 3.9984 7.7493 119.5146 59.6144 31.4545 178.9903 37 M 4.0250 7.8830 117.4373 58.0803 32.3718 177.0969 38 I 4.2493 7.5315 116.6919 60.9841 38.8161 176.9113 39 S 4.0293 7.6626 113.8568 61.6745 62.0119 174.1740 40 P 4.2133 0.0000 0.0000 65.4622 31.0485 178.3255 41 K 3.8646 8.0285 117.8073 59.4820 32.1355 178.0992 42 L 3.9116 7.9930 120.5048 58.1990 41.9431 179.1140 43 V 3.5141 7.8223 117.8920 65.9524 31.4273 177.2949 44 E 3.8980 8.3476 119.1896 59.5736 29.4821 178.8240 45 L 4.0534 8.2829 119.0890 57.7372 41.4534 179.1380 46 S 4.1734 8.3430 112.8327 62.0892 62.4664 176.3681 47 T 4.0902 8.0482 111.8676 64.4554 68.4965 176.2770 48 Q 3.9132 8.1445 121.5568 57.6823 29.2404 176.1274 49 F 4.9680 8.0928 118.2623 56.9412 40.3204 174.7611 50 A 4.3122 7.4016 123.3171 53.5953 18.6828 177.4099 51 D 5.0770 9.6119 119.3338 53.9852 38.9824 175.6846 52 N 5.1717 7.8820 111.6300 52.1021 38.8924 174.5598 53 V 4.8724 7.7490 117.4827 62.0024 35.1684 174.1241 54 V 4.3651 8.8467 125.4008 60.1801 34.5036 174.2450 55 V 4.5989 8.4699 126.3662 61.5321 33.1594 174.2525 56 L 5.3466 9.1335 128.3969 52.9613 44.5900 175.6419 57 K 4.9309 9.6985 124.6709 54.9071 34.6741 176.1489 58 V 4.3401 8.3641 123.0531 59.6987 34.2134 174.1476 59 D 3.7862 8.3800 126.3969 53.3939 41.4264 177.3094 60 V 3.5942 8.0431 120.5558 64.2753 31.5332 177.6818 61 D 4.5417 8.2691 119.8638 56.4636 41.0687 177.4004 62 E 4.2201 8.1751 117.3010 57.8522 30.8448 176.3523 63 C 4.9461 8.0565 115.4561 58.0677 28.6079 174.8535 64 E 4.1346 7.9738 121.4452 59.6324 29.5641 179.0674 65 D 4.4517 8.0746 118.5504 57.2351 41.0102 178.4890 66 I 4.0696 7.8213 119.7042 63.8513 37.1378 178.2388 67 A 4.1626 7.9137 121.6911 55.1712 18.3410 179.2162 68 M 3.9809 8.1534 116.8556 58.6323 32.1546 177.8734 69 E 3.9551 8.0218 118.3890 59.4873 29.8945 177.6409 70 Y 4.1579 7.9371 112.9538 56.6968 38.5160 174.6960 71 N 4.1182 7.9808 117.4483 54.4479 38.0653 174.2457 72 I 4.0248 7.4739 116.6781 60.9053 38.0691 176.7503 73 S 4.6442 8.2683 114.3609 57.6722 65.2373 173.8106 74 S 4.6724 7.8898 115.2897 56.4510 65.1049 172.4064 75 M 4.7393 8.4300 123.9431 52.5723 33.7024 173.2128 76 P 4.6355 0.0000 0.0000 62.5337 33.7618 174.5539 77 T 4.6334 8.0827 118.6077 61.8006 71.2257 173.1548 78 F 4.9921 8.7699 125.8086 55.7741 41.1199 174.7817 79 V 4.5788 8.2880 124.6815 61.1489 33.7435 174.1761 80 F 5.3242 9.3687 127.2979 56.0165 40.9803 175.0123 81 L 5.3385 8.9933 123.1660 53.1475 45.6620 176.1342 82 K 4.5228 8.7904 122.2417 56.0527 35.5817 175.4186 83 N 3.8807 9.7279 126.5785 54.6617 35.8317 175.8439 84 G 3.7955 8.7656 102.9616 45.7701 0.0000 174.0621 85 V 4.2177 7.4968 118.2740 60.0542 33.7833 174.2500 86 K 4.1745 8.9994 128.6973 57.1726 31.9399 176.3426 87 V 3.8929 8.8088 127.1323 63.2698 32.1881 175.3174 88 E 4.9767 7.7447 120.0656 56.3054 32.8337 174.5131 89 E 5.6112 8.9617 119.4032 55.5820 32.5416 174.3511 90 F 5.2128 9.0324 120.4923 55.9439 41.7642 173.0644 91 A 4.8569 8.7886 122.2349 50.8042 21.5493 175.7218 92 G 3.9988 8.7039 106.1145 45.0993 0.0000 174.0257 93 A 4.8093 8.1997 120.5339 51.5506 19.0845 179.3584 94 N 4.6814 8.1812 121.1156 52.8713 39.0295 173.5577 95 A 4.0381 8.4436 130.0312 54.8165 18.5985 178.8611 96 K 3.8748 8.0553 117.5488 59.6496 32.3812 178.9457 97 R 3.7331 8.4946 118.6455 59.2109 30.0439 178.6484 98 L 4.1599 8.0258 119.9402 58.4008 42.0557 178.7435 99 E 4.0202 8.2145 119.0504 59.0256 29.4718 178.3985 100 D 4.2713 8.2043 119.2868 57.3115 40.9336 178.9241 101 V 3.2776 7.6350 118.4722 65.9259 31.2181 178.0911 102 I 3.4973 7.0698 117.5620 64.0686 36.7343 178.0640 103 K 3.6570 7.8337 120.0942 59.4853 31.8891 178.8183 104 A 4.1219 8.0905 119.6290 53.9690 18.1976 177.7501 105 N 4.8395 7.4441 113.3121 52.9731 39.3863 174.5414 106 I 3.8203 7.1833 123.5631 61.2795 37.9667 175.4888 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 M 8.30 4.30 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 V 7.72 4.11 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 0.73 0.00 0.00 0.92 0.00 0.00 3 Y 8.93 4.53 0.00 3.07 2.77 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 4 Q 7.62 4.86 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.51 0.00 5 V 8.08 4.14 2.13 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 0.81 0.00 0.00 0.87 0.00 0.00 6 K 9.90 4.06 0.00 1.91 1.88 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.41 7.81 7 D 7.54 4.38 0.00 2.80 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 8 K 8.61 3.82 0.00 1.94 1.90 0.00 1.73 0.00 0.00 2.08 0.00 0.00 3.73 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.76 7.81 9 A 7.99 3.98 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 10 D 8.53 4.44 0.00 3.00 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 11 L 8.24 4.05 0.00 1.78 1.91 0.88 1.51 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 12 D 8.42 5.15 0.00 2.86 2.65 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 13 G 7.46 4.68 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 0.00 0.00 0.00 14 Q 7.44 3.93 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 15 L 7.71 4.06 0.00 1.72 1.75 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.71 4.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 17 K 8.28 3.87 0.00 1.62 1.85 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.63 7.81 18 A 8.02 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 3.70 0.00 4.03 3.06 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 20 G 8.89 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 21 K 7.34 4.52 0.00 1.77 1.76 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.39 7.81 22 L 8.44 4.25 0.00 1.92 1.57 1.09 0.78 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 23 V 9.10 4.80 2.13 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 1.02 0.00 0.00 1.01 0.00 0.00 24 V 8.65 4.46 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 0.53 0.00 0.00 1.11 0.00 0.00 25 L 8.58 4.82 0.00 1.63 1.19 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.91 4.49 0.00 2.85 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 27 F 8.85 4.74 0.00 2.90 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 28 F 8.54 5.11 0.00 2.98 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 29 A 8.00 4.36 -0.18 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 30 T 8.50 4.14 4.32 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 1.31 0.00 0.00 31 W 7.16 4.64 0.00 3.53 3.20 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 0.00 0.00 0.00 32 C 7.49 4.61 0.00 2.40 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 33 G 8.70 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 34 P 0.00 4.37 0.00 2.30 2.36 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 35 C 8.02 4.28 0.00 3.10 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 36 K 7.75 4.00 0.00 1.95 1.84 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.63 7.81 37 M 7.88 4.02 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 38 I 7.53 4.25 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 1.18 0.00 0.00 39 S 7.66 4.03 0.00 3.96 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 40 P 0.00 4.21 0.00 2.19 2.07 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 41 K 8.03 3.86 0.00 1.87 1.92 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.58 7.81 42 L 7.99 3.91 0.00 1.82 1.86 0.92 0.82 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 43 V 7.82 3.51 2.27 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 0.92 0.00 0.00 0.92 0.00 0.00 44 E 8.35 3.90 0.00 2.05 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 0.00 2.29 2.35 0.00 45 L 8.28 4.05 0.00 1.91 1.88 1.08 0.78 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 46 S 8.34 4.17 0.00 3.97 4.11 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 47 T 8.05 4.09 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 1.21 0.00 0.00 48 Q 8.14 3.91 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.43 0.00 0.00 0.00 0.00 0.00 1.63 2.10 0.00 49 F 8.09 4.97 0.00 3.33 2.94 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 50 A 7.40 4.31 1.24 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 51 D 9.61 5.08 0.00 2.80 3.15 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 52 N 7.88 5.17 0.00 2.70 2.87 0.00 0.00 6.69 8.17 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 53 V 7.75 4.87 2.36 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 0.84 0.00 0.00 0.90 0.00 0.00 54 V 8.85 4.37 2.09 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 0.77 0.00 0.00 0.93 0.00 0.00 55 V 8.47 4.60 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 0.98 0.00 0.00 0.97 0.00 0.00 56 L 9.13 5.35 0.00 1.55 1.48 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.70 4.93 0.00 1.59 1.77 0.00 1.40 0.00 0.00 1.29 0.00 0.00 2.57 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.09 1.21 7.81 58 V 8.36 4.34 1.53 0.00 0.00 0.00 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 0.57 0.00 0.00 59 D 8.38 3.79 0.00 2.48 2.37 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 60 V 8.04 3.59 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 0.72 0.00 0.00 0.85 0.00 0.00 61 D 8.27 4.54 0.00 2.82 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 E 8.18 4.22 0.00 1.86 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 0.00 2.24 2.56 0.00 63 C 8.06 4.95 0.00 2.95 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 64 E 7.97 4.13 0.00 2.02 2.02 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 2.46 2.53 0.00 65 D 8.07 4.45 0.00 2.75 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 66 I 7.82 4.07 2.06 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 1.55 1.05 0.99 0.00 0.00 67 A 7.91 4.16 1.44 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 68 M 8.15 3.98 0.00 2.15 2.09 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 2.60 2.55 0.00 69 E 8.02 3.96 0.00 2.23 2.33 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 2.17 2.33 0.00 70 Y 7.94 4.16 0.00 2.86 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 71 N 7.98 4.12 0.00 2.78 2.79 0.00 0.00 7.13 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 72 I 7.47 4.02 1.64 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.01 0.81 0.00 0.00 73 S 8.27 4.64 0.00 3.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.89 4.67 0.00 3.79 3.69 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 75 M 8.43 4.74 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.31 0.00 76 P 0.00 4.64 0.00 1.53 2.02 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 77 T 8.08 4.63 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 1.03 0.00 0.00 78 F 8.77 4.99 0.00 2.25 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 0.00 0.00 0.00 0.00 79 V 8.29 4.58 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 1.22 0.00 0.00 0.93 0.00 0.00 80 F 9.37 5.32 0.00 3.12 3.01 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 81 L 8.99 5.34 0.00 1.67 1.59 1.11 1.05 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 82 K 8.79 4.52 0.00 1.80 1.67 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.45 7.81 83 N 9.73 3.88 0.00 2.98 2.90 0.00 0.00 7.05 7.63 0.00 0.00 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 G 8.77 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 85 V 7.50 4.22 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 0.98 0.00 0.00 1.00 0.00 0.00 86 K 9.00 4.17 0.00 1.82 1.81 0.00 1.88 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.58 7.81 87 V 8.81 3.89 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 0.85 0.00 0.00 0.95 0.00 0.00 88 E 7.74 4.98 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 89 E 8.96 5.61 0.00 2.11 1.87 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 2.20 2.33 0.00 90 F 9.03 5.21 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 4.86 1.24 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 92 G 8.70 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 0.00 0.00 0.00 93 A 8.20 4.81 1.35 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 0.00 0.00 94 N 8.18 4.68 0.00 2.90 2.90 0.00 0.00 6.93 8.08 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 95 A 8.44 4.04 1.35 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 0.00 0.00 96 K 8.06 3.87 0.00 1.88 1.95 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.55 7.81 97 R 8.49 3.73 0.00 2.10 1.49 0.00 3.09 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.31 0.00 98 L 8.03 4.16 0.00 1.79 1.89 0.75 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.21 4.02 0.00 2.14 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 2.38 2.49 0.00 100 D 8.20 4.27 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.63 3.28 1.47 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 -0.21 0.00 0.00 0.75 0.00 0.00 102 I 7.07 3.50 1.66 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.37 0.00 0.00 103 K 7.83 3.66 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.38 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.50 7.81 104 A 8.09 4.12 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 0.00 105 N 7.44 4.84 0.00 2.68 2.74 0.00 0.00 6.95 7.48 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 0.00 106 I 7.18 3.82 1.75 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.88 0.00 0.00