NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.7410 8.4093 118.1265 52.9610 40.0629 172.9704 10 V 3.7291 8.2387 118.5855 60.0081 32.2164 173.7932 11 K 4.3268 8.2697 122.8598 55.4167 36.0573 176.7248 12 Y 4.9541 7.0844 121.4666 55.9104 39.3712 173.8883 13 N 5.9294 9.2665 122.9468 49.9699 40.2097 174.2018 14 F 4.4013 8.8985 124.0887 59.4892 39.6425 173.7306 15 M 4.3664 7.9806 127.0514 56.4678 32.2757 175.7184 16 R 4.6885 6.4095 113.0978 54.7715 32.9841 173.1910 17 I 4.4515 8.5077 115.6563 60.0539 38.0924 174.9180 18 I 4.6270 8.0854 134.7861 61.3971 38.2033 177.4599 19 K 4.9248 8.5712 130.2824 56.2081 34.4280 174.0596 20 Y 4.8431 8.0102 117.4791 56.7250 40.6110 173.7295 21 E 3.6088 8.7964 118.9688 57.4872 28.9523 174.1658 22 F 4.7765 7.1434 110.8556 55.6650 42.4712 175.1399 23 I 4.7198 8.8438 121.8734 60.1184 38.8893 174.5956 24 L 5.0650 8.6241 129.3967 53.7999 43.7394 174.7440 25 N 5.7008 9.1854 122.6422 50.5159 43.3149 174.2146 26 D 5.2851 8.5653 121.1195 51.3389 42.0468 176.7430 27 A 4.0056 8.4279 120.2095 54.9936 18.4407 178.9089 28 L 4.0212 7.9297 114.4702 55.6500 42.2807 176.3123 29 N 4.1843 8.3222 116.8399 53.7447 35.3145 171.4337 30 Q 4.7749 9.9078 117.8922 53.4246 32.8264 175.2677 31 S 4.9616 9.1335 120.9438 57.7640 64.4572 173.7298 32 I 4.2977 9.0439 120.0155 60.8985 38.1828 174.9544 33 I 4.7895 8.4474 129.0871 59.4359 39.6992 175.6749 34 R 4.3913 8.5444 121.9074 55.7764 30.0103 176.1700 35 A 4.3393 8.7240 126.1804 53.6534 19.8826 176.0183 36 N 5.0963 8.4157 112.6344 52.0754 42.3500 174.4391 37 D 4.6015 8.6562 119.4512 55.4531 41.0463 176.9081 38 Q 4.2918 8.1171 119.0551 55.7123 31.2790 174.8921 39 Y 4.9173 7.4901 113.7209 55.7647 41.5138 173.8414 40 L 5.2577 8.6222 124.0630 53.4726 45.8853 174.9013 41 T 5.1190 8.7632 115.3401 59.8693 71.6292 172.7754 42 A 5.0283 8.0934 123.6026 51.2337 20.3746 176.6072 43 A 4.9513 9.2116 122.3578 49.8097 23.1821 175.5775 44 A 4.6620 9.2151 124.4847 51.4138 18.7665 177.6674 45 L 4.3891 7.9088 120.3217 56.1497 41.3028 176.5525 46 H 4.7759 10.0055 117.5183 55.8846 31.8598 173.5283 47 N 4.4986 8.6715 115.9531 53.0636 38.9044 174.5078 48 L 3.9120 7.7061 119.4527 56.5901 40.1285 175.4147 49 D 4.7305 7.6227 124.7665 52.6799 38.1595 175.0950 50 E 4.5392 8.2285 123.0835 57.0946 33.7037 176.1454 51 A 4.4022 7.8381 120.1470 51.1619 19.5359 176.9675 52 V 3.8895 7.6939 112.4178 61.4578 32.3035 176.3191 53 K 5.1959 8.9648 124.5957 54.6167 33.5900 176.2275 54 F 5.6520 9.0487 119.4564 55.2341 40.7395 174.1827 55 D 4.5620 8.1097 117.6631 52.6801 45.0773 174.1004 56 M 5.6301 8.3579 123.7529 53.1459 34.9300 174.7858 57 G 4.4992 8.6806 111.5451 44.6623 0.0000 171.3018 58 A 5.0371 8.3809 127.2418 51.4431 20.2370 175.7893 59 Y 5.1986 8.4366 118.4541 55.0313 41.6783 174.9032 60 K 4.7830 9.3617 121.9144 54.8618 35.3143 175.3999 61 S 5.0517 8.7102 120.3954 57.0109 66.3457 173.2339 62 S 4.7083 8.4619 115.4864 59.2948 62.8830 174.3980 63 K 4.7519 7.7227 116.7041 56.3504 33.8991 176.3080 64 D 5.0394 7.7886 128.8664 53.4885 38.9330 176.2765 65 D 4.6029 8.0774 123.5514 54.1096 41.4435 175.0487 66 A 4.7084 7.8171 120.4022 50.1666 20.6208 175.8236 67 K 4.4332 7.3581 118.1779 56.2075 35.7057 175.4915 68 I 4.5733 8.4686 114.0383 59.4715 41.0176 173.7378 69 T 5.0694 8.1261 117.7342 60.5576 69.6921 173.3846 70 V 5.0637 8.7700 120.4778 59.7288 36.2938 174.2004 71 I 4.9903 8.7749 122.8988 59.8764 39.3133 174.6070 72 L 4.8494 8.9635 129.2490 53.2491 43.8186 175.0747 73 R 4.4795 8.1611 121.9487 54.0388 33.3443 174.0738 74 I 4.6752 7.6567 114.7284 59.9399 38.5297 176.9430 75 S 4.6799 9.2501 121.9970 60.4250 62.8978 176.2981 76 K 4.0286 7.7204 120.0178 58.8317 32.0399 176.7918 77 T 4.5935 7.5519 109.8637 60.5177 70.6777 174.3336 78 Q 4.7088 8.2350 123.4055 54.4554 27.1589 174.3005 79 L 4.8168 7.7382 119.9114 53.6168 43.8679 176.1896 80 Y 4.9991 9.4070 122.4686 56.0705 41.2950 175.2641 81 V 4.5206 8.2979 122.3390 62.8759 32.4372 175.0816 82 T 4.7339 9.0566 118.6793 60.5401 71.1435 173.4510 83 A 4.9720 7.9849 125.1950 49.9324 20.2904 175.5075 84 Q 4.5451 8.9003 126.7751 55.5944 27.3939 178.5475 85 D 4.5019 8.7936 120.1890 53.1764 43.3507 174.4836 86 E 4.0640 8.6899 130.6716 56.3827 29.5126 177.7155 87 D 5.5378 8.4778 107.7429 52.8710 38.3396 174.0000 88 Q 4.8512 7.8473 117.8321 53.4635 33.2056 172.8274 89 P 4.7207 0.0000 0.0000 62.8058 32.2752 176.5828 90 V 3.8928 8.2748 115.4329 62.0127 32.0353 175.7300 91 L 4.5177 8.4409 124.5562 53.4414 44.0863 176.0870 92 L 4.9089 8.3087 122.9686 53.3777 42.1785 175.6297 93 K 4.3992 9.0727 125.4583 55.5774 34.3660 175.9814 94 E 5.2249 8.7728 124.2225 54.6339 29.5979 174.4543 95 M 4.5807 8.1321 125.6151 52.7384 34.2010 173.9325 96 P 4.1832 0.0000 0.0000 63.0830 32.2210 173.4127 97 E 3.8819 8.6383 128.8401 54.8112 31.0281 173.7414 98 I 3.9175 8.1313 117.9333 60.1092 37.9984 174.2462 99 P 4.2857 0.0000 0.0000 62.3376 31.9484 175.9399 100 K 4.5404 8.4570 121.3682 57.0588 34.5496 175.3618 101 T 4.6759 7.7523 114.6774 61.9597 71.6788 173.3586 102 I 4.1387 7.9525 128.2630 59.6261 39.3232 175.0048 103 T 3.8719 8.0807 121.4923 62.2752 70.4502 177.9129 104 G 3.4838 9.0555 113.8824 47.3114 0.0000 175.9593 105 S 4.1949 7.7972 122.1321 60.1257 64.0066 175.4131 106 E 4.2571 7.7859 118.9198 57.0179 29.1525 177.8728 107 T 4.2495 7.6834 113.5948 63.7874 67.9667 175.1268 108 N 4.4715 8.1604 118.5053 56.3571 38.7912 175.0485 109 L 4.8029 8.0191 118.9019 54.3889 42.5714 175.5809 110 L 5.1797 7.2320 116.3795 53.1422 42.7445 175.7689 111 F 4.9369 8.3450 119.5108 56.0597 43.5805 173.4864 112 F 5.7899 10.1305 128.4260 56.8292 39.9825 174.4715 113 W 4.6054 8.8496 135.0000 56.1932 31.1444 175.1324 114 E 3.9274 8.1609 130.3075 54.7428 30.5102 174.5323 115 T 4.1873 7.5547 124.5811 61.9545 69.9078 174.6283 116 H 4.5536 8.2062 122.4718 53.9486 30.9883 175.5110 117 G 3.7496 9.0800 120.4311 46.9568 0.0000 172.3494 118 T 4.3507 8.9168 112.2366 63.1390 71.5983 176.5203 119 K 4.8221 7.7760 120.8884 56.2202 33.8789 175.6524 120 N 4.5167 8.7958 118.0150 52.4309 40.9590 173.0000 121 Y 5.8112 8.3196 117.5837 55.9536 41.7990 175.2632 122 F 5.8738 9.1246 118.3354 55.2573 42.1431 173.7959 123 T 3.5441 8.1595 120.6910 61.8579 70.6147 174.3228 124 S 4.5292 8.5449 121.3156 58.3060 62.7715 175.3535 125 V 3.6188 8.5487 126.9078 65.2686 31.9219 177.0770 126 A 3.9687 7.9515 122.0171 54.9068 18.5658 177.4680 127 H 4.7876 7.9250 114.5895 54.0842 31.6963 172.4106 128 P 4.1631 0.0000 0.0000 65.8320 31.4934 177.6857 129 N 4.6079 8.2741 115.0840 55.2473 40.0314 174.1794 130 L 5.0756 8.2065 119.7121 53.9816 43.9279 175.4228 131 F 5.1790 8.6663 124.3563 57.0531 43.3878 173.2473 132 I 4.8212 9.6623 127.1412 60.7760 37.3031 174.8391 133 A 4.7666 8.7943 129.1572 51.0040 20.5020 176.3241 134 T 4.6286 8.9270 116.0545 61.6705 72.0116 173.6498 135 K 4.5392 8.6349 124.9137 54.5782 34.6370 176.2928 136 Q 4.0894 8.4463 122.7213 57.9420 29.4371 176.1906 137 D 4.4338 7.5761 113.9636 54.3200 43.0687 174.4628 138 Y 4.7414 6.9836 116.1944 55.7726 40.7102 175.0581 139 W 4.7445 8.0319 116.9976 56.5400 29.5574 176.6561 140 V 3.8157 9.4240 122.0057 63.9509 31.6244 173.9052 141 C 5.4807 8.5553 132.8404 58.2085 34.9638 171.6069 142 L 5.9811 8.7002 116.6326 53.3705 45.9250 175.9429 143 A 4.7239 8.5456 122.5528 50.9111 22.8778 176.1249 144 G 4.0543 8.5134 105.9477 45.3310 0.0000 174.3149 145 G 3.9802 7.0439 108.6251 44.6859 0.0000 170.9792 146 P 4.6867 0.0000 0.0000 60.2599 32.9816 172.8239 147 P 4.7069 0.0000 0.0000 62.4794 32.7178 175.2601 148 S 4.3618 7.6776 115.2524 57.9722 63.8256 174.5896 149 I 4.0486 7.8256 124.9583 61.3124 35.7542 175.9687 150 T 4.8836 7.9489 119.7824 61.4790 69.8695 174.0802 151 D 5.2146 7.9459 121.0310 54.5659 43.4043 175.8513 152 F 5.6872 9.1634 119.3600 55.6170 44.4562 173.4173 153 Q 5.6423 8.8360 116.6732 55.2204 33.3146 174.0863 154 I 4.5048 8.4679 117.2225 59.9673 38.7625 174.7975 155 L 4.7827 9.0814 128.6153 52.8301 43.6140 176.1466 156 E 4.8411 8.9809 125.3197 55.3311 31.0341 175.4870 157 N 4.7479 8.4641 121.3546 51.8337 38.9903 175.4491 158 Q 3.9868 8.3119 119.4224 58.2456 29.3194 175.7314 159 A 4.1243 7.6301 123.3050 52.7953 18.9603 175.7416 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 9 N 8.41 4.74 0.00 2.75 2.92 0.00 0.00 7.02 6.82 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 10 V 8.24 3.73 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 0.72 0.00 0.00 0.99 0.00 0.00 11 K 8.27 4.33 0.00 1.64 1.63 0.00 1.42 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.43 7.81 12 Y 7.08 4.95 0.00 3.64 3.39 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 13 N 9.27 5.93 0.00 3.10 2.93 0.00 0.00 6.85 8.05 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 14 F 8.90 4.40 0.00 3.30 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 15 M 7.98 4.37 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 16 R 6.41 4.69 0.00 1.91 1.92 0.00 3.03 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 17 I 8.51 4.45 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 1.16 0.00 0.00 18 I 8.09 4.63 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.76 0.00 0.00 19 K 8.57 4.92 0.00 1.50 1.63 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.35 7.81 20 Y 8.01 4.84 0.00 3.27 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 21 E 8.80 3.61 0.00 2.12 1.69 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 2.09 2.16 0.00 22 F 7.14 4.78 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 23 I 8.84 4.72 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 1.10 0.00 0.00 24 L 8.62 5.06 0.00 1.66 1.51 -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.19 5.70 0.00 2.68 2.65 0.00 0.00 6.83 8.86 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 26 D 8.57 5.29 0.00 2.46 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 27 A 8.43 4.01 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 28 L 7.93 4.02 0.00 2.02 1.69 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.32 4.18 0.00 2.86 2.82 0.00 0.00 6.56 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 30 Q 9.91 4.77 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 31 S 9.13 4.96 0.00 3.96 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 0.00 32 I 9.04 4.30 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 1.21 0.00 0.00 33 I 8.45 4.79 1.92 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 1.43 1.37 0.95 0.00 0.00 34 R 8.54 4.39 0.00 1.93 1.98 0.00 3.11 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 35 A 8.72 4.34 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 36 N 8.42 5.10 0.00 2.76 2.75 0.00 0.00 7.22 9.28 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 37 D 8.66 4.60 0.00 2.68 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 38 Q 8.12 4.29 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.50 0.00 0.00 0.00 0.00 0.00 1.75 1.19 0.00 39 Y 7.49 4.92 0.00 3.16 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 40 L 8.62 5.26 0.00 1.76 1.59 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.76 5.12 4.33 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 1.41 0.00 0.00 42 A 8.09 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.21 4.95 1.21 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 0.00 0.00 0.00 44 A 9.22 4.66 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 45 L 7.91 4.39 0.00 1.93 1.72 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 H 10.01 4.78 0.00 2.97 3.29 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.67 4.50 0.00 2.86 2.83 0.00 0.00 7.41 6.67 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 48 L 7.71 3.91 0.00 1.93 1.90 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.62 4.73 0.00 2.78 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 50 E 8.23 4.54 0.00 1.94 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 2.31 0.00 51 A 7.84 4.40 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 52 V 7.69 3.89 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 0.80 0.00 0.00 1.04 0.00 0.00 53 K 8.96 5.20 0.00 1.81 1.79 0.00 2.06 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.43 7.81 54 F 9.05 5.65 0.00 2.99 2.95 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 0.00 0.00 0.00 55 D 8.11 4.56 0.00 2.44 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.36 5.63 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.15 0.00 57 G 8.68 4.50 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 0.00 0.00 0.00 58 A 8.38 5.04 1.20 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 0.00 0.00 59 Y 8.44 5.20 0.00 3.06 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 60 K 9.36 4.78 0.00 1.84 1.83 0.00 1.46 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 61 S 8.71 5.05 0.00 4.13 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 0.00 62 S 8.46 4.71 0.00 3.90 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 63 K 7.72 4.75 0.00 1.69 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.47 7.81 64 D 7.79 5.04 0.00 2.58 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 0.00 0.00 0.00 0.00 65 D 8.08 4.60 0.00 2.64 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 66 A 7.82 4.71 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 67 K 7.36 4.43 0.00 0.79 0.74 0.00 1.06 0.00 0.00 1.12 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.07 7.81 68 I 8.47 4.57 1.91 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 1.44 0.95 0.93 0.00 0.00 69 T 8.13 5.07 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 0.41 0.00 0.00 70 V 8.77 5.06 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 0.90 0.00 0.00 1.31 0.00 0.00 71 I 8.77 4.99 2.34 0.00 0.00 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 1.52 1.45 1.17 0.00 0.00 72 L 8.96 4.85 0.00 0.48 0.96 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.16 4.48 0.00 0.67 1.00 0.00 2.70 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.29 0.00 74 I 7.66 4.68 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 0.89 0.00 0.00 75 S 9.25 4.68 0.00 3.94 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 76 K 7.72 4.03 0.00 1.72 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.41 7.81 77 T 7.55 4.59 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 1.23 0.00 0.00 78 Q 8.24 4.71 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 79 L 7.74 4.82 0.00 1.66 1.63 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 9.41 5.00 0.00 3.00 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 81 V 8.30 4.52 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 1.13 0.00 0.00 0.87 0.00 0.00 82 T 9.06 4.73 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 1.25 0.00 0.00 83 A 7.98 4.97 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 84 Q 8.90 4.55 0.00 2.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 85 D 8.79 4.50 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 4.06 0.00 2.51 1.57 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 2.26 2.42 0.00 87 D 8.48 5.54 0.00 2.76 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 88 Q 7.85 4.85 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 89 P 0.00 4.72 0.00 2.26 2.38 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.66 0.00 90 V 8.27 3.89 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 0.92 0.00 0.00 1.16 0.00 0.00 91 L 8.44 4.52 0.00 1.63 1.52 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.31 4.91 0.00 1.58 1.64 0.94 0.90 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 93 K 9.07 4.40 0.00 1.87 1.97 0.00 1.21 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.75 7.81 94 E 8.77 5.22 0.00 2.12 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 0.00 2.22 2.15 0.00 95 M 8.13 4.58 0.00 1.58 1.79 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 96 P 0.00 4.18 0.00 2.08 1.99 0.00 3.71 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 97 E 8.64 3.88 0.00 2.07 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 2.08 2.15 0.00 98 I 8.13 3.92 1.79 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.19 1.09 0.00 0.00 99 P 0.00 4.29 0.00 1.86 1.87 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 100 K 8.46 4.54 0.00 1.78 1.75 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 101 T 7.75 4.68 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 1.12 0.00 0.00 102 I 7.95 4.14 1.68 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 0.83 0.64 0.82 0.00 0.00 103 T 8.08 3.87 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 1.12 0.00 0.00 104 G 9.06 3.48 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 0.00 0.00 0.00 105 S 7.80 4.19 0.00 3.97 4.01 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 0.00 106 E 7.79 4.26 0.00 2.08 1.91 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 2.40 2.25 0.00 107 T 7.68 4.25 4.52 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 1.26 0.00 0.00 108 N 8.16 4.47 0.00 2.82 2.85 0.00 0.00 6.74 6.75 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 0.00 109 L 8.02 4.80 0.00 1.76 1.92 1.43 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.23 5.18 0.00 1.51 1.63 0.83 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.34 4.94 0.00 3.26 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 0.00 112 F 10.13 5.79 0.00 2.96 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 0.00 113 W 8.85 4.61 0.00 3.33 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 0.00 114 E 8.16 3.93 0.00 1.34 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 2.08 2.43 0.00 115 T 7.55 4.19 3.61 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 0.89 0.00 0.00 116 H 8.21 4.55 0.00 3.08 3.16 0.00 5.64 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 0.00 117 G 9.08 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 0.00 118 T 8.92 4.35 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 1.19 0.00 0.00 119 K 7.78 4.82 0.00 1.55 1.80 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.41 7.81 120 N 8.80 4.52 0.00 2.38 2.52 0.00 0.00 7.33 7.31 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 0.00 121 Y 8.32 5.81 0.00 2.96 3.28 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 0.00 122 F 9.12 5.87 0.00 3.19 3.17 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 0.00 123 T 8.16 3.54 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 1.07 0.00 0.00 124 S 8.54 4.53 0.00 3.99 4.10 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 0.00 0.00 0.00 0.00 125 V 8.55 3.62 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 0.63 0.00 0.00 0.99 0.00 0.00 126 A 7.95 3.97 1.18 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 0.00 127 H 7.92 4.79 0.00 3.30 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.16 0.00 2.21 2.19 0.00 3.63 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 2.12 2.09 0.00 129 N 8.27 4.61 0.00 2.79 2.82 0.00 0.00 7.18 7.03 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 0.00 130 L 8.21 5.08 0.00 1.96 1.67 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.67 5.18 0.00 3.40 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 0.00 132 I 9.66 4.82 2.50 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.28 1.16 0.00 0.00 133 A 8.79 4.77 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 0.00 134 T 8.93 4.63 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 1.11 0.00 0.00 135 K 8.63 4.54 0.00 1.86 1.68 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.60 7.81 136 Q 8.45 4.09 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 137 D 7.58 4.43 0.00 2.21 1.61 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 0.00 138 Y 6.98 4.74 0.00 2.58 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 0.00 0.00 0.00 139 W 8.03 4.74 0.00 3.46 3.33 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 0.00 140 V 9.42 3.82 2.29 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 1.34 0.00 0.00 1.09 0.00 0.00 141 C 8.56 5.48 0.00 3.24 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 0.00 142 L 8.70 5.98 0.00 1.98 1.98 1.20 1.37 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 0.00 143 A 8.55 4.72 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 0.00 144 G 8.51 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 0.00 0.00 0.00 145 G 7.04 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 0.00 146 P 0.00 4.69 0.00 1.98 1.48 0.00 3.49 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 147 P 0.00 4.71 0.00 2.13 2.13 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 148 S 7.68 4.36 0.00 3.87 3.83 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 0.00 149 I 7.83 4.05 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.90 0.00 0.00 150 T 7.95 4.88 4.67 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 1.15 0.00 0.00 151 D 7.95 5.21 0.00 2.56 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 0.00 152 F 9.16 5.69 0.00 3.28 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 0.00 153 Q 8.84 5.64 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.21 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 154 I 8.47 4.50 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 1.10 0.00 0.00 155 L 9.08 4.78 0.00 1.83 1.69 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.98 4.84 0.00 2.24 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 2.29 2.31 0.00 157 N 8.46 4.75 0.00 3.15 2.79 0.00 0.00 6.34 7.65 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 0.00 158 Q 8.31 3.99 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 159 A 7.63 4.12 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