NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9604 8.3549 109.7406 45.4088 0.0000 172.5475 1 R 4.2873 7.8799 116.0272 51.5655 33.6734 172.8148 2 P 4.0847 0.0000 0.0000 62.5708 32.6664 175.7966 3 I 4.5486 7.6322 119.3200 59.6400 40.5733 175.0430 4 L 4.6575 8.4901 124.8315 53.7113 43.3559 175.6512 5 E 4.6553 9.2676 124.3969 54.5160 31.8045 174.8393 6 V 4.9495 8.2403 126.2968 60.4201 34.5597 173.2619 7 P 4.4151 0.0000 0.0000 62.6511 32.0042 175.8996 8 E 4.1931 8.8547 122.5239 59.3398 30.5323 176.3314 9 S 4.9445 7.8005 110.8778 56.9117 65.9993 173.3878 10 V 4.6295 8.5713 122.6094 61.5199 35.1720 174.1347 11 T 5.1638 8.5980 121.8237 61.8705 71.9318 173.5005 12 G 4.3828 8.9979 111.3671 43.5817 0.0000 169.9991 13 P 4.9624 0.0000 0.0000 61.9083 32.3674 175.7085 14 W 4.6333 8.9784 134.8796 58.9450 30.8467 176.5132 15 K 3.6478 8.6949 121.6391 56.8531 31.0954 175.5670 16 G 4.5751 7.7160 107.4630 45.2830 0.0000 172.6089 17 D 5.6280 8.5576 120.0953 53.1227 43.4587 176.1769 18 V 4.5220 8.1992 118.2549 60.6511 35.2535 172.5575 19 N 5.0249 8.5505 119.8656 51.8441 41.7533 173.3669 20 L 4.5611 8.8947 126.7214 52.4915 43.2323 174.0525 21 P 4.7461 0.0000 0.0000 62.5708 32.5153 177.3500 22 C 5.1163 10.0438 125.0840 55.7244 45.8208 172.4562 23 T 5.7029 8.9968 116.6740 60.0717 71.9430 172.5397 24 Y 5.2154 9.0466 120.4234 55.5771 42.0535 173.9566 25 D 4.6192 8.7741 121.7509 52.9519 41.4141 174.9485 26 P 4.6048 0.0000 0.0000 62.9523 32.3578 175.5064 27 L 4.8785 8.0672 118.2139 52.9122 45.8228 176.1225 28 Q 4.1016 8.5589 119.9108 57.4077 29.4638 176.9398 29 G 3.7117 8.8944 108.7175 46.2599 0.0000 172.7043 30 Y 5.1752 7.2230 116.2973 56.0790 38.2643 174.0086 31 T 4.4413 8.6787 118.5333 63.3169 70.2672 173.9360 32 Q 4.3209 9.0522 128.1101 56.2399 29.3296 175.6812 33 V 4.4693 8.3866 118.1604 61.0734 34.2706 175.6149 34 L 4.6190 7.3722 121.5984 53.8470 45.5234 173.6610 35 V 4.7145 8.7572 125.9634 61.0123 34.8349 174.1526 36 K 5.0494 8.7275 127.3884 54.7499 35.8884 174.5361 37 W 5.2564 9.0858 127.0891 54.9587 32.0255 174.7607 38 L 5.3335 9.1276 124.0441 52.7998 45.3803 175.6428 39 V 4.3708 8.7410 121.2734 59.8230 34.2609 175.0378 40 Q 3.9816 9.0909 126.6318 55.3749 28.2918 174.6721 41 R 4.0707 8.3160 126.6273 56.4885 27.3342 175.4109 42 G 3.9198 7.6746 107.1509 45.9433 0.0000 172.3898 43 S 3.9569 7.5472 115.1117 58.1882 63.4414 174.0363 44 D 5.6179 6.9355 124.4054 52.8690 40.7738 173.8064 45 P 4.8965 0.0000 0.0000 61.7141 34.0182 174.9012 46 V 4.4017 8.1664 118.4523 62.3843 35.5282 172.2661 47 T 4.8735 8.6449 124.1897 62.2410 69.7397 173.5979 48 I 4.2591 9.5708 121.9750 61.7496 39.7520 175.4888 49 F 5.5281 7.9182 123.0136 55.4502 43.2499 174.2962 50 L 4.2753 5.9003 122.1627 54.3312 44.9204 173.2261 51 R 4.8802 8.8230 128.3716 54.6110 32.9414 174.2878 52 D 5.1464 8.8209 125.0832 52.2877 43.0146 176.2627 53 S 4.0923 8.8575 112.7973 61.7677 63.0356 176.0900 54 S 4.2675 8.3245 115.1922 59.5611 63.6853 174.6145 55 G 3.7566 7.1544 109.3580 45.3835 0.0000 170.7151 56 D 5.0888 8.0181 122.7237 53.5813 43.1794 176.4616 57 H 4.6382 7.9887 118.6484 54.7786 33.2741 172.5040 58 I 4.7106 8.5109 125.1172 60.1613 37.9014 175.4871 59 Q 4.5767 9.1119 126.1797 55.6752 29.7733 176.0910 60 Q 4.4171 7.9024 119.0268 54.1634 32.0727 175.4194 61 A 4.0934 8.9506 127.2486 54.9694 18.5076 178.7059 62 K 4.1639 8.0155 112.4937 58.4031 32.9473 176.8764 63 Y 4.5516 7.7995 116.9237 57.9467 39.3644 175.3924 64 Q 4.1059 7.6913 120.0323 58.0496 28.8937 175.2560 65 G 4.1352 9.1780 111.4789 45.5677 0.0000 173.9176 66 R 4.6242 7.8885 115.7640 55.4643 30.6812 175.2421 67 L 5.1407 7.5298 119.9735 53.5064 44.8178 175.2412 68 H 4.7653 8.7393 121.8545 54.3640 33.7517 172.3696 69 V 4.4341 7.8743 122.5601 60.8254 33.0892 174.7021 70 S 4.2437 8.1655 123.2180 58.7064 63.2161 174.6883 71 H 4.8125 8.4773 118.1892 56.3317 28.3104 174.4221 72 K 4.0419 7.3607 118.8963 58.5534 33.2423 176.6245 73 V 3.6072 7.4090 117.6534 62.1266 32.1343 174.1535 74 P 4.4706 0.0000 0.0000 63.9419 31.6046 175.8880 75 G 3.0942 8.5714 110.1391 45.4928 0.0000 172.2460 76 D 5.2081 8.0692 119.6649 52.9287 41.6299 175.8553 77 V 4.7336 8.3966 122.6177 61.0930 32.6088 176.7834 78 S 4.7188 8.4457 115.7256 58.8021 64.3401 173.2123 79 L 4.6539 8.6873 124.2489 53.1523 44.7413 175.0894 80 Q 4.9048 9.0220 124.7269 53.2001 31.7894 174.3435 81 L 5.1639 8.2942 124.3818 53.1700 44.3305 175.7308 82 S 4.9199 8.7856 117.3875 57.0545 65.9444 173.4619 83 T 3.8158 7.6986 115.4892 63.4280 65.9174 172.7693 84 L 4.2354 8.2590 122.3872 55.2753 42.8694 177.2842 85 E 5.1851 8.9073 122.8307 54.7383 31.5358 177.0844 86 M 3.9967 8.8438 120.8514 58.6337 32.1505 178.3759 87 D 4.4857 8.0585 116.5043 56.5450 41.5970 176.7548 88 D 4.6166 8.2400 118.4969 56.8172 41.0310 176.3384 89 R 4.1478 7.5149 118.0889 57.6090 30.6715 176.1601 90 S 4.6898 8.2625 118.4752 58.4062 67.3632 175.1310 91 H 5.2636 8.1654 119.4905 55.3187 30.0038 174.1540 92 Y 5.1961 9.5345 121.3175 56.5456 41.0889 174.7092 93 T 4.9843 9.3424 120.4964 61.9693 71.3843 172.3040 94 C 3.3892 8.5004 127.1794 54.5549 44.8711 171.9551 95 E 4.7616 8.5517 126.7833 54.6040 32.4596 174.0586 96 V 4.4235 8.2831 127.0273 61.2021 34.8059 174.5523 97 T 4.7627 7.5471 121.5148 61.6762 71.8219 173.1526 98 W 5.3462 9.1937 126.6637 55.1768 32.4356 174.8571 99 Q 5.1822 9.5517 124.1693 54.7952 30.9386 174.2932 100 T 5.2999 8.7790 116.1598 58.3853 70.7858 173.7391 101 P 4.1958 0.0000 0.0000 66.1020 31.2083 177.1709 102 D 4.4432 8.0416 117.4965 54.5148 39.7190 176.6792 103 G 4.1103 7.6163 116.8316 46.1356 0.0000 173.1105 104 N 4.6712 7.8185 118.6998 53.2877 39.7646 174.7047 105 Q 5.2447 8.5726 120.3066 54.8738 31.0671 175.4584 106 V 4.6638 8.9378 114.4129 59.6597 36.0299 174.7329 107 V 4.8740 8.5075 122.8880 61.3014 34.2167 174.8714 108 R 4.9525 8.8608 125.1220 54.6580 34.4803 173.8225 109 D 5.2134 8.5235 120.6027 52.1206 43.0242 174.2172 110 K 4.6120 8.8640 119.5002 55.3375 36.2400 174.3228 111 I 4.9204 8.3722 126.7768 59.9683 39.0824 174.7610 112 T 4.6260 9.1810 122.1205 60.3468 70.5679 172.9435 113 E 4.6528 8.4779 129.2154 54.4698 30.6523 174.3743 114 L 4.7018 8.9122 130.8237 54.9789 43.3514 175.8227 115 R 4.7695 9.2609 125.4253 54.3643 33.6089 175.1789 116 V 4.8171 8.2688 121.1223 61.4060 33.9089 174.5459 117 Q 4.4723 9.1248 128.3655 54.2612 30.4599 176.3271 118 K 4.2611 8.5589 123.9641 56.7407 32.3031 176.2997 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 G 8.35 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 0.00 0.00 0.00 1 R 7.88 4.29 0.00 1.67 1.46 0.00 3.30 0.00 0.00 3.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 2 P 0.00 4.08 0.00 0.49 1.07 0.00 2.43 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.65 0.00 3 I 7.63 4.55 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 0.91 0.00 0.00 4 L 8.49 4.66 0.00 1.55 1.62 0.87 0.95 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 5 E 9.27 4.66 0.00 2.04 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 2.24 2.26 0.00 6 V 8.24 4.95 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 0.97 0.00 0.00 1.00 0.00 0.00 7 P 0.00 4.42 0.00 2.21 2.01 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 8 E 8.85 4.19 0.00 2.08 1.97 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 2.41 2.35 0.00 9 S 7.80 4.94 0.00 3.88 3.67 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 10 V 8.57 4.63 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 0.91 0.00 0.00 0.95 0.00 0.00 11 T 8.60 5.16 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 1.27 0.00 0.00 12 G 9.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.96 0.00 2.15 2.24 0.00 3.85 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 2.16 1.97 0.00 14 W 8.98 4.63 0.00 3.25 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 15 K 8.69 3.65 0.00 1.63 1.58 0.00 1.21 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.55 0.21 7.81 16 G 7.72 4.58 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 0.00 0.00 0.00 17 D 8.56 5.63 0.00 2.53 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 18 V 8.20 4.52 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 0.55 0.00 0.00 0.92 0.00 0.00 19 N 8.55 5.02 0.00 2.62 2.64 0.00 0.00 6.93 7.78 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 20 L 8.89 4.56 0.00 1.28 1.61 0.29 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.75 0.00 2.00 2.02 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 22 C 10.04 5.12 0.00 3.21 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 23 T 9.00 5.70 4.29 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 1.31 0.00 0.00 24 Y 9.05 5.22 0.00 3.20 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 25 D 8.77 4.62 0.00 2.70 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 26 P 0.00 4.60 0.00 2.04 2.04 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 27 L 8.07 4.88 0.00 1.82 1.68 0.78 0.92 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 28 Q 8.56 4.10 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.35 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 29 G 8.89 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 0.00 0.00 0.00 30 Y 7.22 5.18 0.00 3.13 2.47 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 0.00 0.00 0.00 0.00 31 T 8.68 4.44 4.36 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 1.30 0.00 0.00 32 Q 9.05 4.32 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.07 0.00 33 V 8.39 4.47 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 0.75 0.00 0.00 0.97 0.00 0.00 34 L 7.37 4.62 0.00 1.64 1.31 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.76 4.71 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 1.12 0.00 0.00 0.97 0.00 0.00 36 K 8.73 5.05 0.00 1.74 1.46 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.38 7.81 37 W 9.09 5.26 0.00 3.41 3.13 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 0.00 38 L 9.13 5.33 0.00 1.63 1.53 0.88 0.48 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 39 V 8.74 4.37 1.68 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 0.77 0.00 0.00 0.25 0.00 0.00 40 Q 9.09 3.98 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 R 8.32 4.07 0.00 1.82 1.85 0.00 3.47 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 42 G 7.67 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 43 S 7.55 3.96 0.00 3.83 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 44 D 6.94 5.62 0.00 2.73 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 45 P 0.00 4.90 0.00 1.93 1.99 0.00 3.70 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 1.93 2.04 0.00 46 V 8.17 4.40 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 0.72 0.00 0.00 0.94 0.00 0.00 47 T 8.64 4.87 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 1.25 0.00 0.00 48 I 9.57 4.26 1.55 0.00 0.00 0.57 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 1.25 0.89 0.00 0.00 49 F 7.92 5.53 0.00 3.13 3.13 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 0.00 50 L 5.90 4.28 0.00 1.66 1.21 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.82 4.88 0.00 1.99 1.85 0.00 3.29 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 52 D 8.82 5.15 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 53 S 8.86 4.09 0.00 4.01 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 54 S 8.32 4.27 0.00 4.05 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 55 G 7.15 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 56 D 8.02 5.09 0.00 2.60 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 57 H 7.99 4.64 0.00 2.91 3.05 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.51 4.71 1.95 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 1.53 0.68 1.10 0.00 0.00 59 Q 9.11 4.58 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 60 Q 7.90 4.42 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 61 A 8.95 4.09 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 62 K 8.02 4.16 0.00 1.64 1.80 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.46 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.02 0.27 7.81 63 Y 7.80 4.55 0.00 3.23 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 64 Q 7.69 4.11 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 65 G 9.18 4.14 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 0.00 66 R 7.89 4.62 0.00 1.97 2.13 0.00 3.28 0.00 0.00 3.16 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 67 L 7.53 5.14 0.00 1.77 1.51 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.74 4.77 0.00 3.01 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.87 4.43 1.41 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 0.88 0.00 0.00 -0.26 0.00 0.00 70 S 8.17 4.24 0.00 4.07 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 71 H 8.48 4.81 0.00 3.30 3.35 0.00 5.76 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 72 K 7.36 4.04 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.64 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.29 7.81 73 V 7.41 3.61 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 0.96 0.00 0.00 0.91 0.00 0.00 74 P 0.00 4.47 0.00 2.05 2.02 0.00 3.69 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 2.03 2.11 0.00 75 G 8.57 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 0.00 0.00 0.00 76 D 8.07 5.21 0.00 2.62 2.69 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 77 V 8.40 4.73 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 0.93 0.00 0.00 1.10 0.00 0.00 78 S 8.45 4.72 0.00 3.80 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 79 L 8.69 4.65 0.00 0.27 0.13 0.33 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 9.02 4.90 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 81 L 8.29 5.16 0.00 1.50 1.53 0.54 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.79 4.92 0.00 3.93 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 83 T 7.70 3.82 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 L 8.26 4.24 0.00 1.96 1.72 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.91 5.19 0.00 2.10 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 2.30 2.42 0.00 86 M 8.84 4.00 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 87 D 8.06 4.49 0.00 2.63 2.71 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 88 D 8.24 4.62 0.00 2.94 2.88 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 89 R 7.51 4.15 0.00 1.76 1.97 0.00 3.20 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 90 S 8.26 4.69 0.00 3.89 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 5.26 0.00 3.16 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 9.53 5.20 0.00 3.02 3.25 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 93 T 9.34 4.98 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 1.11 0.00 0.00 94 C 8.50 3.39 0.00 1.43 2.41 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 95 E 8.55 4.76 0.00 1.83 1.64 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 2.00 2.10 0.00 96 V 8.28 4.42 0.91 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 -0.38 0.00 0.00 0.60 0.00 0.00 97 T 7.55 4.76 4.03 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 1.15 0.00 0.00 98 W 9.19 5.35 0.00 3.43 3.22 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 99 Q 9.55 5.18 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 100 T 8.78 5.30 4.14 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 1.21 0.00 0.00 101 P 0.00 4.20 0.00 2.16 2.24 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 102 D 8.04 4.44 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 0.00 103 G 7.62 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 0.00 0.00 0.00 104 N 7.82 4.67 0.00 2.68 2.77 0.00 0.00 6.81 7.47 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 0.00 105 Q 8.57 5.24 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 106 V 8.94 4.66 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 0.81 0.00 0.00 1.15 0.00 0.00 107 V 8.51 4.87 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 0.75 0.00 0.00 0.91 0.00 0.00 108 R 8.86 4.95 0.00 1.99 1.80 0.00 3.29 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 109 D 8.52 5.21 0.00 2.58 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 0.00 110 K 8.86 4.61 0.00 1.77 1.61 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.42 7.81 111 I 8.37 4.92 1.93 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 1.24 0.76 1.09 0.00 0.00 112 T 9.18 4.63 4.44 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 1.51 0.00 0.00 113 E 8.48 4.65 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 1.74 2.22 0.00 114 L 8.91 4.70 0.00 1.79 1.93 0.84 0.67 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 0.00 115 R 9.26 4.77 0.00 1.87 1.79 0.00 3.12 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 116 V 8.27 4.82 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 0.98 0.00 0.00 1.00 0.00 0.00 117 Q 9.12 4.47 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 118 K 8.56 4.26 0.00 1.53 1.64 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.47 7.81