NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.5849 8.4449 117.8196 55.8057 29.9335 172.8491 -1 H 4.3282 8.1963 119.2787 56.1498 29.5527 173.7734 0 H 4.2309 9.5135 116.3151 57.3649 26.6363 176.3232 1 M 4.0941 7.5434 118.6608 57.2449 31.9498 176.6823 2 V 4.4375 7.5974 118.4160 61.2754 33.2899 174.8044 3 T 4.4640 7.9458 122.9636 60.4374 69.6252 172.9517 4 Q 4.7833 8.4572 129.1881 55.1113 29.9011 175.3405 5 F 4.7980 8.8849 126.1870 58.0043 39.0224 175.5009 6 K 4.5742 9.6692 121.5354 56.6457 34.2585 176.8152 7 T 4.7399 7.6894 107.6311 58.7435 73.2322 174.4120 8 A 3.8425 8.4206 123.2611 55.5144 18.4294 180.2236 9 S 4.0550 7.9880 113.1139 61.6056 62.8382 176.5070 10 E 3.9732 8.2274 121.3031 59.3585 29.2896 179.0104 11 F 2.5895 7.3274 120.4854 61.0570 39.0758 176.6877 12 D 4.1843 7.8622 116.8071 57.5613 40.9921 178.9932 13 S 4.1613 8.0048 115.1248 61.4701 62.8919 176.5475 14 A 3.9987 7.9756 123.8827 55.0598 18.1828 179.4329 15 I 3.5953 7.2773 110.2146 62.7191 37.4282 177.4227 16 A 4.2123 7.3491 121.3723 52.6468 18.9797 177.6754 17 Q 4.0916 7.2288 116.7772 56.1406 29.8820 176.3354 18 D 5.0095 8.4786 121.3561 51.0432 39.1986 174.7308 19 K 4.4077 6.9675 119.5710 55.7949 36.5180 175.6265 20 L 4.5588 8.2642 122.9286 54.9676 43.3738 175.3235 21 V 4.7541 9.1391 126.4119 61.1219 34.3990 174.0021 22 V 4.7719 8.7492 128.4838 61.1092 33.9272 174.2939 23 V 5.0245 9.1840 128.0399 61.2776 34.4579 173.8665 24 D 5.1719 9.4456 129.4997 53.5073 42.0265 174.9207 25 F 5.1722 9.6115 127.0956 56.8233 40.3619 174.9607 26 Y 5.2764 8.8313 121.0066 55.5338 42.4440 173.7184 27 A 4.7141 8.9379 120.5963 50.2646 22.0934 177.8582 28 T 3.9911 8.7599 112.0737 64.0384 69.1647 175.6589 29 W 4.2976 7.9273 117.6991 57.8042 28.9375 175.6221 30 C 4.1673 7.0459 120.7557 57.3427 30.4499 173.8556 31 G 3.7789 8.7045 114.0051 47.6143 0.0000 171.0178 32 P 4.2559 0.0000 0.0000 65.4199 31.4507 178.7828 33 S 4.1760 7.8991 112.5278 61.2142 61.9560 176.5499 34 K 3.9715 7.9598 121.5920 58.8847 31.1432 178.9326 35 M 4.1419 7.7332 118.6839 57.6946 31.7016 178.6422 36 I 3.9079 7.6661 120.1764 64.1343 37.1830 177.4623 37 A 3.8293 7.2768 121.9783 55.2625 18.2166 177.9086 38 P 4.0543 0.0000 0.0000 65.8782 31.2027 178.3203 39 M 3.5804 7.3157 118.3299 58.5493 32.2042 178.3021 40 I 3.6455 7.9047 120.2825 64.1906 36.9638 178.2557 41 E 3.7552 7.9121 118.8784 59.1618 29.4665 179.0173 42 K 3.9840 7.5686 118.9391 59.6344 32.3213 178.8360 43 F 4.6645 8.0019 118.4683 60.6812 38.5737 177.6776 44 S 3.1194 7.6942 113.3869 61.1694 62.5112 176.1224 45 E 4.1358 7.6561 120.8171 58.4910 29.3761 178.4473 46 Q 4.0300 7.8469 116.9546 57.0606 30.4055 175.5715 47 Y 5.1297 8.1468 116.0518 55.1145 38.2206 174.9980 48 P 4.5200 0.0000 0.0000 65.2018 31.8659 178.2272 49 Q 4.0990 8.2715 116.5996 57.8347 29.0823 175.2872 50 A 4.6964 8.0728 120.6779 50.9274 20.7314 176.2446 51 D 4.9503 8.7428 119.9928 53.0078 43.4785 175.7201 52 F 5.2621 8.5535 119.9220 56.0301 42.5321 173.7850 53 Y 5.2536 9.5229 120.0899 56.1183 42.7193 174.2280 54 K 5.2819 9.0646 119.9356 55.3852 36.7492 175.1048 55 L 4.8365 9.1551 123.5328 53.9023 45.7232 174.4711 56 D 3.8973 8.6095 126.7578 53.0595 40.8806 177.1922 57 V 3.7369 8.3322 121.6176 63.8720 31.7331 177.9235 58 D 4.6497 8.3095 118.5053 55.5129 41.1553 177.0490 59 E 4.3653 7.9323 117.5140 57.2588 31.1026 176.3128 60 L 5.0279 7.3021 117.2944 52.1594 42.4041 178.3423 61 G 3.7475 8.0451 107.2598 47.1724 0.0000 173.9930 62 D 4.3308 8.0759 121.0652 56.6726 39.2987 178.9415 63 V 3.3953 7.6198 119.1924 65.1220 31.4665 177.4416 64 A 3.9613 7.7975 120.1276 55.3499 18.2432 179.4247 65 Q 3.8562 8.2110 117.9458 59.3969 28.9626 178.5986 66 K 4.0354 8.0044 118.1723 58.7321 32.0739 178.0704 67 N 4.7694 7.7152 113.7811 51.7194 39.2334 174.5272 68 E 3.6630 7.7772 118.6994 57.2355 27.6107 174.9966 69 V 3.9482 7.8649 118.6533 61.7732 32.4660 174.6116 70 S 4.4798 8.6770 120.0223 59.4453 64.8923 174.3592 71 A 4.4149 7.8078 122.4820 50.8655 19.5183 175.7213 72 M 4.6173 8.3312 121.2974 52.9017 34.3322 173.8940 73 P 4.8968 0.0000 0.0000 62.9811 33.6335 174.9133 74 T 5.0265 8.7320 116.9857 61.8852 72.2514 172.8223 75 L 5.2815 9.1506 126.5684 53.3018 43.9013 175.3548 76 L 5.1150 9.1547 123.9364 52.8505 44.8380 175.3816 77 L 5.2288 8.3862 122.8087 52.9547 44.7581 175.5806 78 F 5.3007 9.3478 121.6336 55.5446 43.4241 174.0854 79 K 4.9274 8.8167 122.3834 54.0008 35.4582 176.0851 80 N 4.5002 9.6109 125.4266 54.6404 36.4062 176.0879 81 G 3.9712 8.4526 105.2262 45.2902 0.0000 173.9200 82 K 4.6006 7.7927 120.0770 54.0563 33.9679 175.2318 83 E 3.9392 8.9483 125.0806 56.3751 29.7803 176.3348 84 V 4.3077 8.3544 119.4553 61.9000 33.5208 175.7165 85 A 4.6309 7.3603 120.2937 50.7119 22.6750 174.9575 86 K 4.9735 8.3173 119.7182 54.8594 35.7555 175.6017 87 V 4.3669 8.9392 126.7398 61.1514 34.4056 174.1571 88 V 4.3764 8.5417 128.3999 63.1023 32.4263 176.4085 89 G 3.9769 9.0726 113.2325 45.3650 0.0000 173.9840 90 A 4.3423 7.9940 122.8707 50.7687 17.0749 175.8797 91 N 4.9560 7.9145 117.2799 49.8047 39.7725 173.5262 92 P 4.4646 0.0000 0.0000 65.4847 31.6815 177.9387 93 A 4.0327 8.0627 118.8544 54.9465 18.4118 179.3073 94 A 3.9368 7.9847 118.8402 55.4207 18.5307 179.8171 95 I 3.6932 7.9631 118.2822 64.3981 37.2161 178.6356 96 K 3.2777 8.3625 120.8837 59.4563 31.9684 178.9374 97 Q 4.0456 8.2298 118.0685 58.5205 28.2391 178.4238 98 A 3.9437 7.9720 122.1511 54.9804 18.3833 179.7795 99 I 3.3324 7.6887 118.0473 64.4963 36.9786 178.5902 100 A 3.7223 7.7159 120.1923 54.9636 18.2014 179.2414 101 A 4.0515 7.8518 118.5848 54.4002 18.5055 178.4884 102 N 4.7922 7.2173 111.5224 53.0854 40.2877 174.6889 103 A 4.1520 7.9084 128.0344 52.3449 18.4573 177.0911 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 H 8.44 4.58 0.00 3.12 3.26 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 -1 H 8.20 4.33 0.00 3.05 2.85 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 9.51 4.23 0.00 3.31 3.35 0.00 5.70 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 1 M 7.54 4.09 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 2 V 7.60 4.44 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 0.76 0.00 0.00 0.94 0.00 0.00 3 T 7.95 4.46 4.13 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 0.93 0.00 0.00 4 Q 8.46 4.78 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 5 F 8.88 4.80 0.00 3.03 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 6 K 9.67 4.57 0.00 1.95 1.88 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.53 7.81 7 T 7.69 4.74 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 1.23 0.00 0.00 8 A 8.42 3.84 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 9 S 7.99 4.06 0.00 3.87 3.91 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 10 E 8.23 3.97 0.00 2.32 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 0.00 2.43 2.39 0.00 11 F 7.33 2.59 0.00 1.87 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 12 D 7.86 4.18 0.00 2.79 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 13 S 8.00 4.16 0.00 3.98 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 14 A 7.98 4.00 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 15 I 7.28 3.60 0.88 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.36 -0.60 0.00 0.00 16 A 7.35 4.21 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 17 Q 7.23 4.09 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.04 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 18 D 8.48 5.01 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.97 4.41 0.00 1.79 1.89 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.40 7.81 20 L 8.26 4.56 0.00 1.93 1.53 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 21 V 9.14 4.75 2.18 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 1.12 0.00 0.00 1.06 0.00 0.00 22 V 8.75 4.77 1.45 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 0.99 0.00 0.00 0.42 0.00 0.00 23 V 9.18 5.02 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 0.96 0.00 0.00 1.36 0.00 0.00 24 D 9.45 5.17 0.00 2.98 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 25 F 9.61 5.17 0.00 3.28 3.03 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 0.00 0.00 0.00 26 Y 8.83 5.28 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 27 A 8.94 4.71 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.76 3.99 4.34 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 1.36 0.00 0.00 29 W 7.93 4.30 0.00 3.59 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.05 4.17 0.00 1.34 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 0.00 0.00 0.00 0.00 31 G 8.70 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 0.00 0.00 0.00 32 P 0.00 4.26 0.00 2.13 2.13 0.00 3.48 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 33 S 7.90 4.18 0.00 4.13 4.08 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 34 K 7.96 3.97 0.00 1.94 1.83 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 M 7.73 4.14 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.93 0.00 36 I 7.67 3.91 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.96 1.05 0.00 0.00 37 A 7.28 3.83 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 38 P 0.00 4.05 0.00 2.17 2.24 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 39 M 7.32 3.58 0.00 2.23 1.89 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 2.15 1.45 0.00 40 I 7.90 3.65 2.05 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.64 0.99 0.00 0.00 41 E 7.91 3.76 0.00 2.01 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 2.37 0.00 42 K 7.57 3.98 0.00 1.70 1.67 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 43 F 8.00 4.66 0.00 2.99 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 44 S 7.69 3.12 0.00 3.52 3.04 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 45 E 7.66 4.14 0.00 1.85 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 2.39 2.42 0.00 46 Q 7.85 4.03 0.00 2.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.43 0.00 0.00 0.00 0.00 0.00 2.23 2.57 0.00 47 Y 8.15 5.13 0.00 3.30 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 48 P 0.00 4.52 0.00 2.18 2.20 0.00 3.85 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 2.01 1.97 0.00 49 Q 8.27 4.10 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 50 A 8.07 4.70 1.23 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 0.00 0.00 51 D 8.74 4.95 0.00 2.77 2.63 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 0.00 0.00 0.00 0.00 52 F 8.55 5.26 0.00 3.09 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 53 Y 9.52 5.25 0.00 2.78 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 0.00 0.00 0.00 0.00 54 K 9.06 5.28 0.00 1.93 1.91 0.00 1.04 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.74 7.81 55 L 9.16 4.84 0.00 1.68 1.01 0.55 1.04 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 56 D 8.61 3.90 0.00 2.36 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 57 V 8.33 3.74 2.15 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 1.04 0.00 0.00 1.03 0.00 0.00 58 D 8.31 4.65 0.00 2.84 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 59 E 7.93 4.37 0.00 2.02 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 2.43 0.00 60 L 7.30 5.03 0.00 1.58 1.47 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.05 3.75 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 0.00 0.00 0.00 62 D 8.08 4.33 0.00 2.83 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 63 V 7.62 3.40 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 -0.10 0.00 0.00 0.63 0.00 0.00 64 A 7.80 3.96 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 65 Q 8.21 3.86 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 66 K 8.00 4.04 0.00 1.90 1.84 0.00 1.68 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 1.46 1.54 7.81 67 N 7.72 4.77 0.00 2.67 2.81 0.00 0.00 7.08 7.61 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 68 E 7.78 3.66 0.00 2.08 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 2.22 2.20 0.00 69 V 7.86 3.95 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 0.60 0.00 0.00 -0.05 0.00 0.00 70 S 8.68 4.48 0.00 3.98 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 71 A 7.81 4.41 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 72 M 8.33 4.62 0.00 1.71 1.80 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 73 P 0.00 4.90 0.00 2.24 2.21 0.00 3.69 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 2.00 2.02 0.00 74 T 8.73 5.03 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 1.14 0.00 0.00 75 L 9.15 5.28 0.00 1.74 1.68 1.11 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.15 5.12 0.00 2.08 1.42 0.93 0.21 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 77 L 8.39 5.23 0.00 1.49 1.43 0.92 0.68 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 78 F 9.35 5.30 0.00 2.91 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 79 K 8.82 4.93 0.00 1.74 1.61 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 80 N 9.61 4.50 0.00 2.97 2.87 0.00 0.00 6.58 8.30 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 81 G 8.45 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 82 K 7.79 4.60 0.00 2.05 1.75 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.55 7.81 83 E 8.95 3.94 0.00 1.77 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 2.05 1.88 0.00 84 V 8.35 4.31 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 0.74 0.00 0.00 0.88 0.00 0.00 85 A 7.36 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.32 4.97 0.00 1.77 1.57 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.63 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.38 7.81 87 V 8.94 4.37 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 0.95 0.00 0.00 0.94 0.00 0.00 88 V 8.54 4.38 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 0.83 0.00 0.00 0.92 0.00 0.00 89 G 9.07 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 90 A 7.99 4.34 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 91 N 7.91 4.96 0.00 2.75 2.76 0.00 0.00 7.00 8.03 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 92 P 0.00 4.46 0.00 2.28 2.26 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 93 A 8.06 4.03 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 94 A 7.98 3.94 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 95 I 7.96 3.69 2.23 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 1.19 0.00 0.00 96 K 8.36 3.28 0.00 1.27 1.59 0.00 1.53 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.24 0.76 7.81 97 Q 8.23 4.05 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 98 A 7.97 3.94 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 99 I 7.69 3.33 1.52 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.29 0.00 0.00 100 A 7.72 3.72 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.05 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 0.00 102 N 7.22 4.79 0.00 2.59 2.79 0.00 0.00 6.98 7.23 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 0.00 103 A 7.91 4.15 1.32 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 0.00 0.00