NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5802 8.2516 119.7472 55.3913 33.4220 173.7682 2 V 4.2330 8.1177 121.2231 61.2994 32.5936 173.7067 3 K 4.3557 9.4055 129.2517 55.3609 33.6041 175.6318 4 Q 4.5220 8.7298 127.8223 56.0958 29.6057 175.1033 5 I 4.2856 8.5012 128.7723 59.8096 38.1875 175.8383 6 E 4.6696 8.3535 126.6466 55.3247 30.4987 176.0311 7 S 4.5707 7.4835 112.0064 56.3879 66.4373 175.7917 8 K 3.9708 8.3357 123.3236 59.9694 31.9884 178.9860 9 T 3.8686 7.9526 115.3118 66.7682 68.4806 176.3382 10 A 4.0484 8.4024 122.8459 54.7421 18.3028 179.5766 11 F 4.0929 8.2715 119.4666 61.6091 39.5300 177.3248 12 Q 3.8477 8.2802 117.6635 59.0804 28.4582 178.8032 13 E 3.9146 8.2942 119.2340 59.3981 29.2070 179.3630 14 A 3.9002 7.9637 120.7629 55.0802 18.1886 179.6872 15 L 3.7429 7.3773 116.5938 57.2667 41.7232 179.0318 16 D 4.3509 7.9904 118.1604 57.3072 41.1216 178.0133 17 A 4.1105 7.9649 118.8004 54.0583 18.6219 178.9037 18 A 4.0328 7.8183 119.4791 51.1032 18.4488 180.0069 19 G 3.7871 8.1352 105.8897 47.0893 0.0000 175.7031 20 D 4.6147 9.0416 124.5690 53.3521 40.2286 176.7653 21 K 4.2739 7.6092 119.8573 55.4995 33.1147 176.3694 22 L 4.3249 8.2769 123.5891 55.3076 43.5107 175.5827 23 V 4.6395 8.7806 125.4436 61.0387 34.3992 174.0575 24 V 4.3584 8.3436 128.0399 61.0566 33.7255 174.1672 25 V 4.7155 8.7619 128.5481 61.1622 34.0696 173.5874 26 D 4.5041 8.7685 128.3708 52.7145 42.5995 175.0800 27 F 4.9191 8.6068 126.8148 56.5690 40.2888 175.3420 28 S 4.9783 8.8699 117.7316 56.4085 67.1588 172.5087 29 A 4.8011 7.7312 119.7852 50.1168 21.6404 177.6385 30 T 3.7759 7.9678 112.0237 64.1279 69.0379 175.9142 31 W 4.3287 7.6928 117.4214 57.7299 28.8678 175.3454 32 C 4.3211 7.1314 121.5427 57.9097 31.5898 173.7234 33 G 3.7044 8.9711 114.8437 47.6588 0.0000 172.8785 34 P 4.2874 0.0000 0.0000 65.9576 30.5749 178.0010 35 C 4.0906 7.5581 115.2477 62.5817 27.7736 175.8788 36 K 4.1335 7.9036 119.6812 59.3748 31.5029 178.8990 37 M 4.0539 7.7884 117.6484 58.4697 32.5391 177.4394 38 I 4.2517 7.6793 116.1343 61.4097 38.3841 177.1275 39 K 4.0325 7.8110 119.9735 59.9382 32.0371 176.5614 40 P 4.3257 0.0000 0.0000 65.7202 31.3354 178.3536 41 F 4.1326 8.3482 118.9201 61.1721 39.2340 176.7492 42 F 4.1337 8.7056 120.5266 61.6042 39.3209 176.6546 43 H 4.0862 8.5922 118.1847 58.9097 29.6391 177.3851 44 S 3.9870 8.2122 116.7871 61.2399 62.6816 176.5432 45 L 3.7750 7.3406 122.7600 57.3043 41.2914 179.5617 46 S 3.2540 6.6670 114.1861 60.7578 62.5687 176.1966 47 E 3.9913 7.1827 120.0161 58.3461 29.3894 178.5021 48 K 4.0983 7.6097 119.2345 57.9378 32.7869 176.3138 49 Y 4.5147 7.6950 118.8772 56.2909 37.2946 175.6075 50 S 4.3974 8.4830 119.2367 59.6156 63.8363 174.9688 51 N 4.8503 8.1854 117.8286 52.5677 37.3757 174.4676 52 V 4.5380 7.5249 117.1771 61.5934 34.9396 174.3971 53 I 4.4886 8.3287 127.3856 59.8045 39.5518 174.5676 54 F 5.1038 8.7927 124.3775 55.7160 41.8340 174.0258 55 L 5.3503 9.1683 123.8603 52.8352 45.0295 175.0969 56 E 4.9090 9.0636 123.0067 54.3143 32.9286 174.6266 57 V 4.4156 8.2569 126.1936 60.9471 34.5826 173.6746 58 D 4.9658 8.5659 128.5547 53.7399 41.6384 177.3595 59 V 3.7300 8.8463 120.6486 64.3799 31.5838 177.7978 60 D 4.5379 8.2102 119.9085 57.3321 40.9603 177.5916 61 D 4.4678 8.2963 117.6352 56.6859 41.7837 176.8521 62 C 4.7927 7.9113 116.7178 58.2563 27.7840 174.5535 63 Q 4.0879 7.9765 122.2131 59.1618 28.8440 178.6898 64 D 4.3055 8.0051 119.6289 56.4347 39.4137 178.7563 65 V 3.4481 7.6671 118.9775 65.3759 31.7472 177.5030 66 A 3.7316 8.1155 120.7214 55.3611 18.2272 179.7771 67 S 4.0083 8.1869 113.5837 61.9566 62.7371 177.0034 68 E 4.0611 7.9626 119.7191 59.1086 29.2414 178.2196 69 C 4.4079 7.9910 114.3356 58.6549 28.8403 173.1125 70 E 3.6859 7.7899 119.2941 57.1383 27.2623 175.2818 71 V 3.6758 7.1933 116.9720 62.4399 32.3085 175.5081 72 K 4.5651 8.3747 122.6310 56.0781 34.1692 175.6331 73 C 4.9957 7.8779 115.2912 57.9512 31.6309 172.8039 74 M 4.6344 8.1333 120.2333 52.6263 34.9110 174.0871 75 P 4.4547 0.0000 0.0000 62.9851 33.2128 175.0064 76 T 4.7072 7.9308 117.1573 61.7148 72.1157 172.9498 77 F 5.5542 8.4541 123.9706 55.0354 41.5565 174.5180 78 Q 5.1323 8.7136 122.0744 54.0862 32.2050 174.3514 79 F 5.3055 8.8420 120.7961 55.7837 42.1710 174.5052 80 F 5.3859 9.4639 121.3591 55.6631 43.4972 173.9502 81 K 4.6795 8.9194 122.5751 55.1585 35.4980 176.4502 82 K 3.9814 9.7377 127.7075 57.6285 29.5286 176.3080 83 G 3.9303 8.2205 104.0122 45.7450 0.0000 173.1938 84 Q 4.5902 7.9689 121.6099 53.9177 30.5265 174.3641 85 K 3.9439 8.6526 126.3038 56.4594 32.3794 176.5477 86 V 4.3294 8.1738 119.1709 60.7746 32.9000 175.5402 87 G 4.0666 7.4967 106.2791 46.0411 0.0000 172.2041 88 E 5.9800 9.1239 117.5764 56.2561 32.4554 174.6010 89 F 5.1693 8.4184 120.0083 56.2127 41.6706 172.9921 90 S 5.0481 9.0262 114.8133 57.2262 65.8192 174.5396 91 G 4.1409 8.6281 109.6825 45.5204 0.0000 174.8012 92 A 4.4783 8.3343 125.4576 50.7083 17.2977 177.0279 93 N 4.8292 8.0437 119.2024 50.9797 41.0440 174.2592 94 K 3.6981 8.3304 128.6646 59.3176 32.0892 178.9534 95 E 3.8972 7.9883 119.0554 59.2550 29.7583 178.6493 96 K 3.7952 8.4244 119.6812 58.8957 32.0957 178.4538 97 L 4.3209 8.0395 120.9992 58.4081 42.1279 178.6153 98 E 4.0321 8.4614 118.8039 59.3170 29.4974 178.6682 99 A 4.0349 8.3490 121.0401 55.4160 18.4020 179.8171 100 T 3.7057 7.9885 114.3758 66.5039 68.4778 177.1332 101 I 3.6544 7.7209 121.7880 64.5875 36.9835 178.2830 102 N 4.4240 7.9234 115.2591 55.6075 38.3483 176.6858 103 E 4.0753 7.6132 120.5593 58.3837 29.8846 177.6639 104 L 4.3810 7.5490 117.1534 55.2003 42.3586 176.9540 105 V 3.7754 7.5107 123.0615 61.8298 31.3069 175.8452 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 8.25 4.58 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 2 V 8.12 4.23 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 1.07 0.00 0.00 0.91 0.00 0.00 3 K 9.41 4.36 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.43 7.81 4 Q 8.73 4.52 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 5 I 8.50 4.29 1.99 0.00 0.00 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 1.42 1.13 1.02 0.00 0.00 6 E 8.35 4.67 0.00 1.91 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 2.19 2.19 0.00 7 S 7.48 4.57 0.00 3.99 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 8 K 8.34 3.97 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.58 7.81 9 T 7.95 3.87 4.26 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 1.22 0.00 0.00 10 A 8.40 4.05 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 11 F 8.27 4.09 0.00 3.15 3.19 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 12 Q 8.28 3.85 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.77 0.00 13 E 8.29 3.91 0.00 2.12 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 2.48 2.48 0.00 14 A 7.96 3.90 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 15 L 7.38 3.74 0.00 1.46 1.45 -0.04 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.99 4.35 0.00 2.67 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 17 A 7.96 4.11 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 18 A 7.82 4.03 1.29 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 0.00 0.00 19 G 8.14 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.04 4.61 0.00 2.79 2.79 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 0.00 0.00 0.00 21 K 7.61 4.27 0.00 1.84 1.75 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.36 7.81 22 L 8.28 4.32 0.00 1.77 1.48 1.09 0.77 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 23 V 8.78 4.64 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 0.87 0.00 0.00 0.91 0.00 0.00 24 V 8.34 4.36 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 0.92 0.00 0.00 0.62 0.00 0.00 25 V 8.76 4.72 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 0.28 0.00 0.00 1.14 0.00 0.00 26 D 8.77 4.50 0.00 1.80 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 0.00 0.00 0.00 27 F 8.61 4.92 0.00 2.89 2.78 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 28 S 8.87 4.98 0.00 3.64 3.86 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 29 A 7.73 4.80 0.25 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 30 T 7.97 3.78 4.27 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 1.22 0.00 0.00 31 W 7.69 4.33 0.00 3.52 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 32 C 7.13 4.32 0.00 1.45 2.39 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 33 G 8.97 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.29 0.00 2.27 2.37 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 35 C 7.56 4.09 0.00 2.96 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 7.90 4.13 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.45 7.81 37 M 7.79 4.05 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 38 I 7.68 4.25 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.39 1.14 0.00 0.00 39 K 7.81 4.03 0.00 2.05 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.51 7.81 40 P 0.00 4.33 0.00 2.29 2.15 0.00 3.76 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 2.18 2.21 0.00 41 F 8.35 4.13 0.00 3.20 3.30 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 42 F 8.71 4.13 0.00 3.39 3.30 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 43 H 8.59 4.09 0.00 3.24 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.21 3.99 0.00 3.87 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 45 L 7.34 3.78 0.00 1.42 1.00 0.63 0.53 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 46 S 6.67 3.25 0.00 3.65 2.96 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 47 E 7.18 3.99 0.00 1.94 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 2.19 2.07 0.00 48 K 7.61 4.10 0.00 1.52 1.69 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.55 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.33 1.03 7.81 49 Y 7.70 4.51 0.00 3.34 3.02 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 0.00 0.00 0.00 50 S 8.48 4.40 0.00 4.00 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 51 N 8.19 4.85 0.00 2.89 2.99 0.00 0.00 5.75 7.68 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 52 V 7.52 4.54 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 0.26 0.00 0.00 0.87 0.00 0.00 53 I 8.33 4.49 1.78 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 1.18 0.72 0.88 0.00 0.00 54 F 8.79 5.10 0.00 2.86 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 55 L 9.17 5.35 0.00 1.82 1.56 0.90 0.35 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 56 E 9.06 4.91 0.00 2.10 1.74 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 2.13 2.05 0.00 57 V 8.26 4.42 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 0.84 0.00 0.00 0.56 0.00 0.00 58 D 8.57 4.97 0.00 2.73 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 59 V 8.85 3.73 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 0.79 0.00 0.00 0.96 0.00 0.00 60 D 8.21 4.54 0.00 2.83 2.78 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 61 D 8.30 4.47 0.00 2.66 2.78 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 62 C 7.91 4.79 0.00 2.93 2.79 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 0.00 0.00 0.00 63 Q 7.98 4.09 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 64 D 8.01 4.31 0.00 2.85 2.91 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 65 V 7.67 3.45 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 0.44 0.00 0.00 0.79 0.00 0.00 66 A 8.12 3.73 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 67 S 8.19 4.01 0.00 3.83 3.89 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 68 E 7.96 4.06 0.00 2.03 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 2.34 2.44 0.00 69 C 7.99 4.41 0.00 2.62 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 70 E 7.79 3.69 0.00 2.04 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 2.22 2.20 0.00 71 V 7.19 3.68 1.71 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 0.57 0.00 0.00 -0.29 0.00 0.00 72 K 8.37 4.57 0.00 1.82 1.80 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.41 7.81 73 C 7.88 5.00 0.00 2.90 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 74 M 8.13 4.63 0.00 1.60 1.58 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.19 0.00 75 P 0.00 4.45 0.00 1.26 1.86 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 76 T 7.93 4.71 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 1.17 0.00 0.00 77 F 8.45 5.55 0.00 2.36 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 5.13 0.00 2.39 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 79 F 8.84 5.31 0.00 3.04 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 80 F 9.46 5.39 0.00 2.90 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 81 K 8.92 4.68 0.00 1.82 1.62 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 82 K 9.74 3.98 0.00 1.93 1.85 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.43 7.81 83 G 8.22 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 84 Q 7.97 4.59 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 85 K 8.65 3.94 0.00 1.46 1.62 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.12 7.81 86 V 8.17 4.33 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 0.73 0.00 0.00 1.00 0.00 0.00 87 G 7.50 4.07 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 0.00 0.00 0.00 88 E 9.12 5.98 0.00 2.00 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 2.18 2.25 0.00 89 F 8.42 5.17 0.00 3.23 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 90 S 9.03 5.05 0.00 3.91 3.86 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 91 G 8.63 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 92 A 8.33 4.48 1.38 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 93 N 8.04 4.83 0.00 2.83 2.80 0.00 0.00 7.06 6.17 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 94 K 8.33 3.70 0.00 1.43 0.74 0.00 1.39 0.00 0.00 0.93 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.66 1.19 7.81 95 E 7.99 3.90 0.00 2.01 2.01 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 2.34 2.41 0.00 96 K 8.42 3.80 0.00 1.69 1.42 0.00 0.66 0.00 0.00 0.81 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.47 1.04 7.81 97 L 8.04 4.32 0.00 2.15 2.00 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.46 4.03 0.00 2.45 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 0.00 2.47 2.52 0.00 99 A 8.35 4.03 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 0.00 100 T 7.99 3.71 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 0.37 0.00 0.00 101 I 7.72 3.65 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.19 0.38 0.00 0.00 102 N 7.92 4.42 0.00 2.70 2.89 0.00 0.00 7.07 6.94 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 0.00 103 E 7.61 4.08 0.00 1.99 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 2.26 2.41 0.00 104 L 7.55 4.38 0.00 1.64 1.66 0.56 0.88 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 0.00 105 V 7.51 3.78 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 0.70 0.00 0.00 0.96 0.00 0.00