NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7978 8.0549 120.2706 61.2457 32.6110 174.3857 2 V 4.0118 7.7176 114.3945 58.8240 34.0056 173.8172 3 W 5.0755 8.4001 125.3863 55.7713 31.3230 176.8235 4 T 4.3461 8.9011 114.0438 61.2264 70.4965 175.4890 5 D 4.4178 8.7527 121.8611 57.8146 40.8941 179.0047 6 F 4.1290 8.3414 120.3423 61.2544 39.4875 176.7931 7 E 3.8492 8.5288 118.1136 59.4238 29.2648 179.0071 8 R 3.4802 8.0459 118.4261 59.6335 30.0132 178.3867 9 A 3.9050 7.9987 120.1698 55.1716 18.2524 179.8112 10 T 3.5820 7.4827 114.4750 66.6060 68.5232 177.0687 11 I 3.6522 7.4252 121.3024 64.2898 37.1256 178.3887 12 A 3.9170 7.4743 121.7188 55.1244 17.9704 179.1337 13 D 4.2519 7.9686 115.5547 57.4198 41.5863 178.1936 14 I 3.7643 8.0818 120.6377 64.6570 37.2197 178.5284 15 F 4.0434 8.3070 118.3863 60.3302 38.4954 177.7236 16 S 4.2752 8.2404 112.8912 60.4277 62.7527 175.5976 17 K 4.3399 7.8091 120.1998 55.3716 32.9421 175.9983 18 L 4.3280 7.1286 120.0887 53.3050 42.8054 176.4274 19 D 4.4202 8.5280 122.5866 54.1599 41.7861 176.3934 20 Y 4.4267 8.4765 126.2764 61.0629 37.8655 178.2503 21 E 4.0983 8.6167 120.9114 58.7094 29.9968 178.0876 22 A 3.9792 8.1894 120.7931 55.5096 18.3875 179.7725 23 V 3.6089 8.2589 116.6934 66.0193 31.6416 178.5773 24 G 3.6553 8.4155 105.7013 47.7183 0.0000 175.9773 25 G 3.5932 8.4109 108.5761 47.4110 0.0000 175.5680 26 A 4.0061 8.0037 123.4184 55.1187 18.3521 179.9457 27 T 3.7693 8.0719 114.2540 66.7216 68.5997 176.8369 28 L 3.8605 7.9437 122.0247 57.9177 42.0926 178.6361 29 A 3.8903 7.9254 120.7945 55.0771 18.2969 179.4770 30 R 3.6890 8.1075 117.2511 59.6629 30.1139 177.9755 31 C 4.0248 7.9361 118.3211 62.8588 31.6802 175.6781 32 L 3.9185 7.8810 120.0960 57.5056 40.8453 179.7204 33 I 3.6815 7.3473 119.0024 64.1301 37.4221 178.1996 34 V 3.4859 7.7803 117.9631 64.4960 32.8536 175.7624 35 Y 3.6653 7.4289 116.4493 54.4677 37.8605 174.2933 36 P 4.7318 0.0000 0.0000 64.2070 31.7479 177.8959 37 W 4.3505 7.7938 115.4476 59.3263 28.0431 178.0924 38 T 4.2858 7.5945 110.6523 64.4587 68.0495 176.2711 39 Q 4.2928 8.0516 121.3755 58.9472 28.4260 178.7822 40 R 3.9589 7.6720 116.2443 59.4759 29.4215 178.3345 41 Y 4.1271 7.2211 114.9515 59.5480 38.2563 176.5842 42 F 4.9847 8.2009 119.6298 57.1114 39.5742 177.2497 43 G 3.9365 8.4291 106.0589 46.7936 0.0000 174.1645 44 N 5.1373 8.5573 116.1052 52.9354 39.3791 174.6812 45 F 4.7303 8.3652 115.7115 57.1412 40.4780 177.1753 46 G 3.8447 8.2748 109.9536 45.5672 0.0000 173.0579 47 N 4.6537 8.6647 119.5286 53.7391 39.6478 175.9642 48 L 4.7990 8.4771 121.9240 55.3130 44.4877 176.3077 49 Y 4.4619 8.0460 116.7872 56.5461 37.7693 175.8123 50 N 4.2864 7.4976 116.2536 51.9392 42.3180 174.5394 51 A 3.9371 8.2893 127.4936 55.3323 18.5150 179.5852 52 A 3.9554 8.1349 118.5713 55.1803 18.3051 179.5971 53 A 4.0092 7.8614 118.1200 55.1002 18.9567 179.6229 54 I 3.8027 8.0188 118.5675 64.8886 37.0467 178.2720 55 M 4.1588 8.1737 118.6490 57.9850 31.8154 178.2729 56 G 4.2136 7.6795 102.5854 43.5210 0.0000 173.2580 57 N 4.6449 7.7454 120.5436 51.8875 39.6501 173.9260 58 P 4.3365 0.0000 0.0000 66.2485 31.3847 178.3384 59 M 4.2046 8.2056 118.1128 58.0590 31.7347 178.8284 60 I 3.6555 8.0013 119.5620 64.1333 37.5113 177.9110 61 A 3.9866 7.9045 121.5083 55.2062 18.2447 179.7286 62 K 3.9268 8.2334 116.9195 60.1371 32.2046 179.1646 63 H 4.4524 8.8965 118.8156 58.9753 29.8714 177.4778 64 G 3.6095 8.4460 108.1967 47.9985 0.0000 175.8798 65 T 4.0019 7.9313 117.8280 66.6440 68.3920 176.7027 66 T 3.9397 7.8717 117.6937 66.8813 68.4849 176.4265 67 I 3.6785 7.5887 121.2659 64.5293 37.0877 178.4911 68 L 3.9246 7.7720 119.2181 58.1868 41.3948 179.4154 69 H 4.2975 8.5074 116.2619 58.5915 28.6507 178.1056 70 G 3.6454 8.4205 108.1563 47.7028 0.0000 175.8674 71 L 4.4355 8.1856 122.7952 57.1353 41.7199 178.7356 72 D 4.0467 8.2861 118.3808 57.3675 40.7905 178.2162 73 R 3.9198 7.9124 117.8870 59.7405 30.4079 177.9556 74 A 4.0216 7.7490 119.4779 55.0786 18.1107 179.5999 75 V 3.2716 7.4785 115.8317 65.9986 31.5826 177.8380 76 K 4.2293 7.9415 115.4158 57.1970 33.0813 176.4920 77 N 5.1430 7.8979 116.8396 52.4675 39.3372 176.0261 78 M 4.0657 8.1572 118.5555 58.2810 32.5684 177.7177 79 D 5.0031 8.0779 115.6916 54.1498 41.4683 176.1355 80 N 5.0596 8.3016 119.3626 51.8722 39.5444 176.9245 81 I 3.5129 8.0866 119.8984 63.8284 37.1504 177.1768 82 K 3.7616 7.9710 118.6497 59.7943 32.2805 178.0990 83 A 4.1436 7.9212 120.1856 55.4084 18.1363 179.4001 84 T 3.9385 7.6961 113.4502 66.7035 68.6458 175.3642 85 Y 4.7059 8.1968 116.8245 57.8812 37.9752 177.3405 86 A 4.0086 7.9129 125.0057 55.5109 18.4421 180.5350 87 E 3.9180 8.0861 116.5023 59.5135 29.6480 179.2132 88 L 3.9274 7.9004 118.5599 57.8585 41.5493 179.5085 89 S 4.5656 8.1262 114.3199 60.7870 62.3874 176.1628 90 V 3.5128 7.4904 120.6897 65.9472 31.2560 177.4576 91 L 3.8525 7.9720 119.9062 58.8322 41.8846 178.7226 92 H 4.3273 8.5352 115.2406 57.5987 28.3297 176.9599 93 S 4.3450 8.1239 114.6666 60.3160 62.7831 175.8969 94 E 3.8902 8.3627 120.3075 58.6362 29.6987 178.2067 95 K 4.1552 7.9645 118.2676 58.0551 32.7680 177.0999 96 L 4.3889 7.8158 116.4072 54.3226 42.7658 175.9745 97 H 4.0640 7.4710 114.2787 56.5946 26.5607 175.8233 98 V 3.1950 7.8598 119.2279 61.8594 31.5574 174.9594 99 D 4.3635 8.2902 127.7317 54.0145 41.7270 175.7527 100 P 4.3558 0.0000 0.0000 65.7910 31.9123 177.9893 101 D 4.3975 8.2380 118.9318 57.5845 40.6034 178.4353 102 N 4.2500 7.9785 116.7297 56.3188 38.4114 177.3928 103 F 4.3724 7.4387 119.0132 60.4236 38.8782 177.8693 104 K 4.0791 7.9477 117.8044 59.2504 32.0005 179.0741 105 L 3.7104 7.6944 119.0932 57.7349 41.3910 179.4838 106 L 4.0061 7.9160 120.0485 58.2094 41.9893 178.9522 107 S 4.1838 8.1663 115.1587 61.9522 62.8367 176.5592 108 D 4.4633 8.4260 121.4975 57.6087 40.5739 178.6780 109 C 4.2211 8.1689 117.3080 62.5165 28.0975 175.8123 110 L 3.9617 8.2986 122.2135 58.5382 41.7502 178.8545 111 T 4.0761 8.3272 115.9610 67.2392 68.5992 176.5742 112 I 3.8377 7.7832 121.1865 64.0694 37.0432 178.7729 113 V 3.4798 7.8441 119.2961 65.8101 31.3389 178.1754 114 V 3.1837 7.9508 118.1210 65.7982 31.2980 177.5455 115 A 3.3302 7.5917 120.4786 55.1751 17.9196 179.5462 116 A 3.9014 7.4593 117.4880 55.0681 18.4617 179.4715 117 Q 3.9511 7.6342 117.2549 59.4706 29.3290 178.1942 118 L 4.1042 8.0473 118.7410 56.1033 42.4165 179.4765 119 G 3.7864 8.6320 107.8497 46.2804 0.0000 176.4576 120 K 4.1022 8.7559 121.2304 58.4655 32.3024 178.0323 121 A 4.1191 7.9415 121.2184 54.7430 18.7941 178.0573 122 F 4.4256 8.0272 119.8624 57.3707 37.6037 175.0237 123 S 4.6354 7.5844 121.2868 56.7968 66.2774 175.1656 124 G 3.5356 8.4259 107.5154 47.8804 0.0000 175.3957 125 E 4.0097 8.0291 121.1065 58.9716 29.7523 178.8747 126 V 3.5910 7.5576 118.5483 66.0998 31.5504 177.8605 127 Q 3.5763 7.8443 119.1887 58.7355 28.7246 178.0582 128 A 4.0421 8.0731 121.8247 55.1447 18.4523 179.5139 129 A 4.1616 8.0032 119.3322 55.2254 18.4791 179.6215 130 F 4.3657 8.5718 119.3424 61.6846 39.5024 177.2091 131 Q 4.0265 8.7896 119.6733 58.8727 28.8524 177.9447 132 K 3.9681 8.2925 120.8661 59.4625 32.2542 178.4021 133 F 4.4644 8.4812 120.8641 61.6579 39.3560 177.1794 134 L 3.7260 8.0190 118.3645 57.6788 41.3126 179.7509 135 S 4.1483 8.2290 115.4343 61.2718 62.7079 176.8545 136 V 3.4225 7.7232 120.9786 65.8893 31.3151 177.9080 137 V 3.1548 7.3238 117.9487 66.1657 31.2470 178.0164 138 V 3.2707 8.0041 117.9798 65.9783 31.0848 177.8842 139 S 3.9998 7.8581 111.5864 61.3856 62.3159 175.7628 140 A 4.1133 7.7025 122.1673 54.6570 18.5764 179.1937 141 L 4.0812 8.0426 117.8686 56.3307 41.5601 177.7055 142 G 4.1580 7.0814 107.1636 44.3385 0.0000 172.9536 143 K 3.7497 8.4103 120.5915 56.4711 32.4496 175.9342 144 Q 4.2953 8.2878 125.1804 55.2253 29.0175 175.1588 145 Y 4.3755 8.3873 120.3123 58.3284 38.9783 175.6137 146 H 4.5952 7.9148 121.6320 55.8615 29.4993 173.3541 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 V 8.05 3.80 1.63 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 0.42 0.00 0.00 -0.26 0.00 0.00 2 V 7.72 4.01 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 0.68 0.00 0.00 0.86 0.00 0.00 3 W 8.40 5.08 0.00 3.27 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 4 T 8.90 4.35 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 1.32 0.00 0.00 5 D 8.75 4.42 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.13 0.00 3.11 3.14 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 7 E 8.53 3.85 0.00 2.50 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 2.61 2.63 0.00 8 R 8.05 3.48 0.00 2.07 1.85 0.00 3.09 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 9 A 8.00 3.90 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 10 T 7.48 3.58 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 1.05 0.00 0.00 11 I 7.43 3.65 1.44 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 1.42 0.89 0.08 0.00 0.00 12 A 7.47 3.92 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 13 D 7.97 4.25 0.00 2.68 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 14 I 8.08 3.76 1.85 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 1.43 0.71 0.42 0.00 0.00 15 F 8.31 4.04 0.00 3.07 3.27 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 16 S 8.24 4.28 0.00 4.03 4.17 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 17 K 7.81 4.34 0.00 1.87 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 18 L 7.13 4.33 0.00 1.86 1.66 0.38 0.84 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 19 D 8.53 4.42 0.00 2.69 2.57 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 20 Y 8.48 4.43 0.00 2.97 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 21 E 8.62 4.10 0.00 2.10 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 0.00 2.41 2.28 0.00 22 A 8.19 3.98 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 23 V 8.26 3.61 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 1.01 0.00 0.00 0.91 0.00 0.00 24 G 8.42 3.66 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 0.00 0.00 0.00 25 G 8.41 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.01 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 27 T 8.07 3.77 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 1.26 0.00 0.00 28 L 7.94 3.86 0.00 1.67 1.53 0.55 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.93 3.89 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 30 R 8.11 3.69 0.00 2.06 2.06 0.00 3.10 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 31 C 7.94 4.02 0.00 3.08 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 32 L 7.88 3.92 0.00 1.62 1.61 0.63 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.35 3.68 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.46 0.81 0.00 0.00 34 V 7.78 3.49 1.49 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 -0.05 0.00 0.00 0.72 0.00 0.00 35 Y 7.43 3.67 0.00 2.53 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 36 P 0.00 4.73 0.00 2.15 1.97 0.00 3.58 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 37 W 7.79 4.35 0.00 3.56 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 38 T 7.59 4.29 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 1.17 0.00 0.00 39 Q 8.05 4.29 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 40 R 7.67 3.96 0.00 1.83 2.02 0.00 2.65 0.00 0.00 2.67 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 0.00 41 Y 7.22 4.13 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 42 F 8.20 4.98 0.00 3.15 2.74 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 43 G 8.43 3.94 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 0.00 0.00 0.00 44 N 8.56 5.14 0.00 2.77 2.67 0.00 0.00 6.69 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 45 F 8.37 4.73 0.00 3.11 3.08 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 46 G 8.27 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.66 4.65 0.00 2.71 2.77 0.00 0.00 6.58 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 48 L 8.48 4.80 0.00 1.74 1.62 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.05 4.46 0.00 2.92 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 50 N 7.50 4.29 0.00 2.76 2.67 0.00 0.00 6.93 7.84 0.00 0.00 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 A 8.29 3.94 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 52 A 8.13 3.96 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 53 A 7.86 4.01 1.36 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 0.00 0.00 0.00 54 I 8.02 3.80 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.84 0.00 0.00 55 M 8.17 4.16 0.00 1.93 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 56 G 7.68 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 0.00 0.00 0.00 0.00 57 N 7.75 4.64 0.00 3.10 2.83 0.00 0.00 6.97 7.01 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 58 P 0.00 4.34 0.00 2.32 2.31 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 59 M 8.21 4.20 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 60 I 8.00 3.66 2.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.91 0.78 0.00 0.00 61 A 7.90 3.99 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 62 K 8.23 3.93 0.00 2.07 1.97 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.63 7.81 63 H 8.90 4.45 0.00 3.66 3.26 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.45 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 0.00 0.00 0.00 0.00 65 T 7.93 4.00 4.47 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 1.36 0.00 0.00 66 T 7.87 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 1.25 0.00 0.00 67 I 7.59 3.68 2.01 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 1.54 0.58 0.94 0.00 0.00 68 L 7.77 3.92 0.00 1.73 1.16 0.74 0.93 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 69 H 8.51 4.30 0.00 3.44 3.43 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.42 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 71 L 8.19 4.44 0.00 2.06 2.03 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.29 4.05 0.00 2.75 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 73 R 7.91 3.92 0.00 1.96 2.32 0.00 3.47 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 74 A 7.75 4.02 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 75 V 7.48 3.27 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.37 0.00 0.00 76 K 7.94 4.23 0.00 1.77 1.83 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.63 7.81 77 N 7.90 5.14 0.00 2.80 2.72 0.00 0.00 6.88 7.32 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 78 M 8.16 4.07 0.00 1.69 2.05 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.55 0.00 79 D 8.08 5.00 0.00 2.73 2.74 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 80 N 8.30 5.06 0.00 2.74 2.68 0.00 0.00 7.22 8.69 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 81 I 8.09 3.51 1.75 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.34 0.00 0.00 82 K 7.97 3.76 0.00 1.69 1.82 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.51 7.81 83 A 7.92 4.14 1.40 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 0.00 0.00 0.00 84 T 7.70 3.94 4.37 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 1.34 0.00 0.00 85 Y 8.20 4.71 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.01 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 87 E 8.09 3.92 0.00 1.98 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 2.40 2.34 0.00 88 L 7.90 3.93 0.00 1.54 1.53 0.33 0.76 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 89 S 8.13 4.57 0.00 4.09 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 90 V 7.49 3.51 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 0.76 0.00 0.00 0.94 0.00 0.00 91 L 7.97 3.85 0.00 1.75 1.82 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.54 4.33 0.00 3.37 3.56 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.12 4.34 0.00 3.89 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 94 E 8.36 3.89 0.00 2.05 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 2.30 2.26 0.00 95 K 7.96 4.16 0.00 1.68 1.97 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.44 7.81 96 L 7.82 4.39 0.00 1.77 1.66 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.47 4.06 0.00 3.37 3.42 0.00 5.65 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.86 3.20 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 -0.26 0.00 0.00 0.55 0.00 0.00 99 D 8.29 4.36 0.00 2.76 2.57 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 0.00 100 P 0.00 4.36 0.00 2.39 2.51 0.00 3.78 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 2.12 2.08 0.00 101 D 8.24 4.40 0.00 2.87 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 0.00 102 N 7.98 4.25 0.00 2.38 2.59 0.00 0.00 7.00 8.18 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 0.00 103 F 7.44 4.37 0.00 3.21 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 0.00 104 K 7.95 4.08 0.00 1.92 1.87 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.51 7.81 105 L 7.69 3.71 0.00 1.50 1.01 0.74 -0.26 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 0.00 106 L 7.92 4.01 0.00 1.82 1.73 0.95 1.10 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 0.00 107 S 8.17 4.18 0.00 4.19 3.94 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 0.00 108 D 8.43 4.46 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.17 4.22 0.00 3.21 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 0.00 110 L 8.30 3.96 0.00 1.82 1.98 0.95 1.31 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 0.00 111 T 8.33 4.08 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 1.54 0.00 0.00 112 I 7.78 3.84 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 0.90 0.00 0.00 113 V 7.84 3.48 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 0.92 0.00 0.00 0.97 0.00 0.00 114 V 7.95 3.18 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.67 0.00 0.00 115 A 7.59 3.33 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 0.00 116 A 7.46 3.90 1.30 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 0.00 0.00 117 Q 7.63 3.95 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 118 L 8.05 4.10 0.00 1.56 1.72 0.86 0.74 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 0.00 119 G 8.63 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 0.00 120 K 8.76 4.10 0.00 1.78 1.90 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 121 A 7.94 4.12 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 0.00 122 F 8.03 4.43 0.00 2.88 3.08 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 0.00 123 S 7.58 4.64 0.00 4.07 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 0.00 124 G 8.43 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.01 0.00 2.03 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 2.26 2.29 0.00 126 V 7.56 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 0.83 0.00 0.00 1.01 0.00 0.00 127 Q 7.84 3.58 0.00 1.24 1.99 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 2.45 2.60 0.00 128 A 8.07 4.04 1.49 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 0.00 0.00 129 A 8.00 4.16 1.40 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 0.00 0.00 0.00 130 F 8.57 4.37 0.00 3.29 3.43 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 0.00 131 Q 8.79 4.03 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 132 K 8.29 3.97 0.00 2.01 2.22 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.57 1.41 7.81 133 F 8.48 4.46 0.00 3.23 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 0.00 134 L 8.02 3.73 0.00 1.65 1.61 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.23 4.15 0.00 3.95 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 0.00 136 V 7.72 3.42 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 0.91 0.00 0.00 0.86 0.00 0.00 137 V 7.32 3.15 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 0.96 0.00 0.00 0.02 0.00 0.00 138 V 8.00 3.27 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 0.95 0.00 0.00 0.93 0.00 0.00 139 S 7.86 4.00 0.00 3.92 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 0.00 140 A 7.70 4.11 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 0.00 141 L 8.04 4.08 0.00 1.22 0.73 0.72 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.08 4.16 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 0.00 0.00 0.00 143 K 8.41 3.75 0.00 1.62 1.46 0.00 1.56 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.87 1.23 7.81 144 Q 8.29 4.30 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 145 Y 8.39 4.38 0.00 2.68 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 0.00 146 H 7.91 4.60 0.00 3.13 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00