NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2752 8.4449 120.2269 55.7631 31.0100 175.2012 3 S 3.9226 8.6042 120.3160 58.4834 62.9231 173.5706 4 K 4.1769 8.5897 123.5749 57.4219 32.5463 177.3920 5 R 4.2965 7.7445 115.5082 56.3129 30.2049 177.2111 6 N 4.7368 8.0394 115.4793 53.9318 39.3594 175.3641 7 K 4.4454 7.8000 117.5748 54.4865 33.3386 174.6712 8 P 4.6118 0.0000 0.0000 63.8715 32.4703 175.4631 9 G 3.7491 8.2670 107.7531 45.2101 0.0000 171.0630 10 K 4.9509 8.2184 119.9771 54.0417 34.8436 175.7441 11 A 4.3752 8.9593 129.8913 53.1016 19.3262 176.0420 12 T 4.7685 9.1472 117.1201 60.9830 71.0660 173.5284 13 G 4.8030 8.9007 111.8488 44.7311 0.0000 174.4050 14 K 3.9607 9.1238 120.4892 57.0337 32.5965 179.0385 15 G 3.9719 8.6617 107.5504 44.8226 0.0000 172.4598 16 K 4.6558 8.5853 116.1661 53.9898 36.2740 174.4692 17 P 4.8197 0.0000 0.0000 62.2986 31.8766 176.0596 18 V 4.5686 7.8647 113.2681 60.1745 36.0783 174.2275 19 G 4.4821 8.1738 109.7694 44.1715 0.0000 172.5026 20 D 4.5353 8.7176 117.3462 56.3983 39.8502 177.5654 21 K 4.4944 8.1356 118.7558 56.1824 31.8676 177.8580 22 W 4.3700 8.4197 117.7870 60.0208 27.8196 178.2131 23 L 3.3334 7.0320 118.7685 56.2936 40.9565 178.7182 24 D 4.4040 7.9474 119.6307 57.7027 40.8751 178.3263 25 D 4.6271 7.8469 116.3293 55.8790 40.8723 178.3599 26 A 4.4187 7.4148 122.9993 54.4357 18.5378 178.9936 27 G 4.0029 7.7178 101.2154 45.3483 0.0000 173.3630 28 K 4.3982 7.6805 119.4643 55.0046 34.5042 180.2326 29 D 3.8511 7.8379 116.0929 55.2223 42.5111 174.9481 30 S 4.5498 7.9005 118.4454 58.3231 65.6210 175.3309 31 G 4.1058 8.4202 104.8670 45.1898 0.0000 173.9264 32 A 4.3751 8.2840 121.3594 51.6398 19.8056 175.6069 33 P 4.9130 0.0000 0.0000 61.4251 34.1576 175.1400 34 I 3.9382 8.1402 120.3346 60.3545 38.0499 174.8602 35 P 5.1578 0.0000 0.0000 62.0058 32.0146 177.1251 36 D 4.3414 8.4323 120.8330 56.6739 39.1625 179.0852 37 R 4.2443 7.6517 120.2943 58.2889 29.9104 178.9466 38 I 3.6511 7.4809 119.1502 64.1656 37.1810 177.8979 39 A 3.9864 7.8772 121.5971 55.3136 18.2125 179.0721 40 D 4.3350 8.1639 117.3593 57.7859 40.7253 179.6465 41 K 4.0946 7.2604 117.3692 59.4082 32.5084 179.1800 42 L 4.3165 7.7033 119.1593 56.2920 41.8190 177.4851 43 R 4.3486 7.7383 118.2420 58.2024 30.3016 176.1315 44 D 4.5326 9.0374 122.3083 54.6803 39.9193 173.9404 45 K 4.3668 7.8546 119.6370 55.1525 33.9029 175.5834 46 E 4.5776 8.3151 124.8947 55.7886 30.8792 175.5506 47 F 4.8246 8.4980 124.1398 55.6967 42.1625 176.2206 48 K 4.1907 9.2041 123.0314 58.2525 32.1891 176.9373 49 S 4.7633 7.5308 112.6193 56.6739 66.4019 175.8226 50 F 4.3563 8.7105 123.7267 61.1903 38.8604 176.6779 51 D 4.5051 8.5148 118.4334 57.7230 40.6151 178.5747 52 D 4.4109 8.0554 119.1695 57.3124 40.7797 178.4383 53 F 3.4341 7.7925 120.6228 60.9850 39.3587 176.6818 54 R 3.4735 7.7615 118.6222 59.3919 29.7718 177.8997 55 K 4.4948 7.9464 119.8645 59.1269 32.1600 178.5237 56 A 3.9936 7.9634 120.5386 54.8670 18.1521 179.8734 57 V 3.0725 7.3742 117.3166 65.8164 31.5343 178.3000 58 W 4.5008 7.9417 118.3746 59.3675 28.8188 178.5509 59 E 4.2656 8.2970 119.0045 59.2724 28.6134 179.1013 60 E 3.9548 7.9250 118.1709 59.0767 29.8229 178.9084 61 V 3.7633 7.9724 118.7770 66.2019 31.3259 178.2497 62 S 4.2382 8.2542 113.8154 61.5322 62.5970 176.5309 63 K 4.2543 7.8327 120.4767 57.0982 32.0260 176.9073 64 D 4.6385 7.5564 118.9154 52.4114 41.6714 174.9363 65 P 4.3093 0.0000 0.0000 65.3921 31.2370 178.5192 66 E 3.9863 8.1945 116.5084 59.3914 29.5001 178.9143 67 L 4.2465 7.7412 117.7113 57.4667 41.9226 178.7737 68 S 4.6380 8.2294 111.9791 58.8363 63.0920 175.8319 69 K 3.9903 7.8608 124.1294 59.1453 32.0143 176.5158 70 N 4.7111 8.0670 114.7220 53.3841 39.4386 174.2807 71 L 4.5666 7.3392 117.3156 54.2287 43.1813 176.7540 72 N 4.7124 8.3648 119.4627 51.8330 39.6155 174.4085 73 P 4.2193 0.0000 0.0000 65.7547 31.3326 178.5025 74 S 4.1139 8.2242 111.3462 61.9740 62.1018 176.1139 75 N 4.4501 9.4044 119.0656 56.1387 38.3321 177.6916 76 K 4.0781 8.3832 120.4782 59.2782 31.8694 179.2705 77 S 4.1486 8.2805 114.9917 62.4233 63.1174 176.5778 78 S 4.1576 8.1271 116.6169 62.4628 62.5181 177.5271 79 V 3.8487 7.9248 114.5464 64.6856 31.3345 178.8000 80 S 4.3082 7.7902 114.0822 59.7998 62.7557 175.6384 81 K 4.5323 8.1330 119.3035 55.6593 33.4667 176.9440 82 G 3.8926 8.3325 108.4333 45.3365 0.0000 172.8081 83 Y 4.6804 7.2010 116.0478 56.3409 39.2765 175.1361 84 S 2.8256 8.2981 117.5928 56.7344 63.3228 172.3083 85 P 4.3313 0.0000 0.0000 62.4373 32.5061 175.6432 86 F 4.5680 8.7071 121.0594 57.8715 39.5152 175.6504 87 T 4.0729 8.0125 113.7354 59.9478 70.3898 172.4964 88 P 4.4127 0.0000 0.0000 62.1220 32.1804 177.7371 89 K 3.8566 8.7146 121.6755 59.7118 32.0929 178.4714 90 N 4.4714 8.1089 113.0705 54.5721 37.4630 175.0611 91 Q 4.4329 7.9552 117.5294 55.8602 29.3471 175.0280 92 Q 4.6128 7.9246 117.8776 54.3527 30.4600 175.6342 93 V 4.2356 8.0858 120.0039 61.5223 33.8012 177.4230 94 G 3.8507 8.5383 119.0865 46.6440 0.0000 174.7082 95 G 3.6727 8.9931 113.6290 46.4181 0.0000 172.9696 96 R 4.5030 8.2246 120.9475 54.7560 30.9474 176.7989 97 K 4.6238 8.4762 120.1101 55.4045 34.5020 175.9850 98 V 4.5173 7.2518 110.7324 58.9242 34.6845 175.0225 99 Y 4.4798 7.8954 119.1292 58.4715 38.6213 175.8642 100 E 4.8417 9.7210 121.2854 54.8230 33.7027 175.4939 101 L 5.0207 8.7628 123.9107 53.7620 41.3849 175.9250 102 H 4.4264 9.3778 124.3534 55.8691 31.6559 173.8923 103 A 4.6319 7.7773 124.2561 50.0046 19.3446 175.3467 104 D 4.5291 8.8654 122.2530 57.6815 41.9253 176.9804 105 K 4.4833 8.1515 119.5684 53.4487 33.8113 173.5601 106 P 4.4173 0.0000 0.0000 62.8947 32.2134 177.2873 107 I 4.3671 8.6981 123.1175 63.9861 37.3050 178.5080 108 S 4.1247 8.1052 113.4283 60.8675 62.7050 174.8778 109 Q 4.4650 7.9893 117.5395 55.6294 28.6965 175.6585 110 G 3.9760 8.1783 105.2377 45.6582 0.0000 174.2159 111 G 4.2605 8.0766 107.4874 42.6435 0.0000 173.2021 112 E 4.6005 8.2304 122.3186 54.0923 31.1461 176.9249 113 V 3.1501 8.4141 125.9115 65.8918 31.5689 176.4707 114 Y 4.1168 7.5742 115.0794 57.6498 37.9744 174.9749 115 D 4.9030 7.5084 122.8315 52.9130 39.6207 176.5717 116 M 4.1744 8.9066 125.5648 57.5307 32.6530 177.7913 117 D 4.5279 8.2511 117.8825 55.8889 41.6521 177.3490 118 N 4.5646 9.9108 117.0606 54.6538 39.8994 174.8028 119 I 4.5686 7.5531 118.2002 61.2146 38.1326 175.9219 120 R 4.8600 8.9304 124.2200 54.3296 34.5040 174.6367 121 V 4.4832 9.1088 124.4141 62.9007 32.5391 174.9578 122 T 5.7907 9.7268 118.3354 59.1409 72.2667 173.3216 123 T 4.4964 8.3743 112.5072 60.4920 70.8405 173.6110 124 P 4.2741 0.0000 0.0000 65.9811 30.9435 178.4705 125 K 3.7983 8.0833 118.0523 59.9073 32.0318 178.6328 126 R 3.9920 7.9165 118.1009 59.5521 30.2971 177.6594 127 H 4.2842 8.7055 118.4889 59.2528 29.5617 177.3494 128 I 3.8827 7.7931 121.2010 64.0685 37.0295 177.8577 129 D 4.4803 7.7155 118.7673 57.4576 40.5019 178.7147 130 I 3.6672 7.5184 118.9915 64.7885 37.1513 177.8953 131 H 4.4202 7.6405 114.3964 58.0708 28.6234 177.8494 132 R 4.2150 7.5859 119.9097 58.6922 30.0210 178.7585 133 G 4.0832 7.7463 104.5796 45.1176 0.0000 173.2250 134 K 4.1053 8.0280 126.4589 56.1432 32.2383 176.1652 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 E 8.44 4.28 0.00 1.98 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 2.35 0.00 3 S 8.60 3.92 0.00 3.96 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 4 K 8.59 4.18 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 5 R 7.74 4.30 0.00 1.70 1.94 0.00 2.89 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 6 N 8.04 4.74 0.00 2.89 2.95 0.00 0.00 6.94 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 7 K 7.80 4.45 0.00 1.83 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 8 P 0.00 4.61 0.00 1.93 2.00 0.00 3.72 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 2.05 2.15 0.00 9 G 8.27 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 10 K 8.22 4.95 0.00 1.69 1.67 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 11 A 8.96 4.38 1.70 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 12 T 9.15 4.77 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 1.29 0.00 0.00 13 G 8.90 4.80 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 0.00 0.00 0.00 14 K 9.12 3.96 0.00 1.87 1.87 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 15 G 8.66 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 16 K 8.59 4.66 0.00 1.71 1.64 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 17 P 0.00 4.82 0.00 2.02 1.94 0.00 3.67 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 18 V 7.86 4.57 2.19 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 0.75 0.00 0.00 0.48 0.00 0.00 19 G 8.17 4.48 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 20 D 8.72 4.54 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.49 0.00 1.87 1.86 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.52 7.81 22 W 8.42 4.37 0.00 3.65 3.49 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 23 L 7.03 3.33 0.00 1.19 1.23 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.95 4.40 0.00 2.96 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 25 D 7.85 4.63 0.00 2.94 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 26 A 7.41 4.42 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 27 G 7.72 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 0.00 0.00 0.00 28 K 7.68 4.40 0.00 2.04 1.71 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.38 7.81 29 D 7.84 3.85 0.00 2.76 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 30 S 7.90 4.55 0.00 3.81 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 31 G 8.42 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 32 A 8.28 4.38 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 33 P 0.00 4.91 0.00 2.12 2.14 0.00 3.98 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 34 I 8.14 3.94 1.86 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 1.47 0.91 0.80 0.00 0.00 35 P 0.00 5.16 0.00 1.77 1.50 0.00 3.49 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 1.01 0.85 0.00 36 D 8.43 4.34 0.00 2.82 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 37 R 7.65 4.24 0.00 1.74 1.92 0.00 3.34 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 38 I 7.48 3.65 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.66 0.00 0.00 39 A 7.88 3.99 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 40 D 8.16 4.33 0.00 2.89 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 41 K 7.26 4.09 0.00 1.80 1.84 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.56 7.81 42 L 7.70 4.32 0.00 1.73 1.93 0.42 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.74 4.35 0.00 1.92 1.89 0.00 3.40 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 44 D 9.04 4.53 0.00 2.83 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 45 K 7.85 4.37 0.00 1.70 1.33 0.00 1.56 0.00 0.00 1.47 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.67 7.81 46 E 8.32 4.58 0.00 1.86 1.67 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 2.16 2.39 0.00 47 F 8.50 4.82 0.00 2.80 3.06 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 48 K 9.20 4.19 0.00 1.97 1.90 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 49 S 7.53 4.76 0.00 4.14 4.04 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 50 F 8.71 4.36 0.00 3.06 3.10 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 51 D 8.51 4.51 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.06 4.41 0.00 3.17 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 53 F 7.79 3.43 0.00 2.71 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 54 R 7.76 3.47 0.00 1.58 1.86 0.00 3.42 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 55 K 7.95 4.49 0.00 1.87 1.99 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.50 1.20 7.81 56 A 7.96 3.99 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 57 V 7.37 3.07 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 0.20 0.00 0.00 -0.13 0.00 0.00 58 W 7.94 4.50 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 59 E 8.30 4.27 0.00 2.12 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 2.33 2.41 0.00 60 E 7.93 3.95 0.00 2.03 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 2.49 2.35 0.00 61 V 7.97 3.76 2.61 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 1.46 0.00 0.00 1.01 0.00 0.00 62 S 8.25 4.24 0.00 4.16 4.15 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 63 K 7.83 4.25 0.00 1.84 1.91 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 64 D 7.56 4.64 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.20 2.09 0.00 3.64 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 2.11 2.17 0.00 66 E 8.19 3.99 0.00 2.10 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 2.31 2.33 0.00 67 L 7.74 4.25 0.00 1.58 1.74 0.62 0.29 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 68 S 8.23 4.64 0.00 4.14 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 0.00 69 K 7.86 3.99 0.00 2.11 1.94 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.48 7.81 70 N 8.07 4.71 0.00 2.89 2.87 0.00 0.00 6.95 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 71 L 7.34 4.57 0.00 1.72 1.62 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.36 4.71 0.00 3.01 2.97 0.00 0.00 6.09 7.76 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 73 P 0.00 4.22 0.00 2.19 2.17 0.00 3.63 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 2.12 2.16 0.00 74 S 8.22 4.11 0.00 3.89 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 75 N 9.40 4.45 0.00 3.03 2.89 0.00 0.00 7.15 7.70 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 76 K 8.38 4.08 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.64 7.81 77 S 8.28 4.15 0.00 4.13 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 78 S 8.13 4.16 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.92 3.85 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 0.92 0.00 0.00 1.14 0.00 0.00 80 S 7.79 4.31 0.00 4.16 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 81 K 8.13 4.53 0.00 2.11 1.97 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.77 7.81 82 G 8.33 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 0.00 0.00 0.00 83 Y 7.20 4.68 0.00 3.11 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 84 S 8.30 2.83 0.00 3.79 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 85 P 0.00 4.33 0.00 2.12 1.99 0.00 2.20 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.46 0.00 86 F 8.71 4.57 0.00 2.90 2.89 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 87 T 8.01 4.07 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 -0.04 0.00 0.00 88 P 0.00 4.41 0.00 2.18 2.00 0.00 3.56 0.00 0.00 3.70 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 89 K 8.71 3.86 0.00 1.74 1.77 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.38 7.81 90 N 8.11 4.47 0.00 2.86 2.91 0.00 0.00 5.93 7.39 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 91 Q 7.96 4.43 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 92 Q 7.92 4.61 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 93 V 8.09 4.24 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 1.05 0.00 0.00 0.95 0.00 0.00 94 G 8.54 3.85 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 0.00 0.00 0.00 95 G 8.99 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 0.00 0.00 0.00 96 R 8.22 4.50 0.00 2.02 1.87 0.00 3.08 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 97 K 8.48 4.62 0.00 1.93 2.09 0.00 1.76 0.00 0.00 2.00 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.71 1.55 7.81 98 V 7.25 4.52 1.93 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 -0.03 0.00 0.00 0.79 0.00 0.00 99 Y 7.90 4.48 0.00 3.02 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 0.00 100 E 9.72 4.84 0.00 1.85 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 2.29 2.46 0.00 101 L 8.76 5.02 0.00 1.91 1.92 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.38 4.43 0.00 3.15 3.33 0.00 5.73 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 0.00 103 A 7.78 4.63 1.05 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 0.00 104 D 8.87 4.53 0.00 2.81 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 0.00 105 K 8.15 4.48 0.00 1.82 1.61 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.36 7.81 106 P 0.00 4.42 0.00 2.19 1.96 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 107 I 8.70 4.37 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.21 0.81 0.00 0.00 108 S 8.11 4.12 0.00 3.95 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 0.00 109 Q 7.99 4.47 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 110 G 8.18 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 0.00 111 G 8.08 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 0.00 0.00 0.00 112 E 8.23 4.60 0.00 2.04 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 2.35 2.44 0.00 113 V 8.41 3.15 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 0.12 0.00 0.00 0.83 0.00 0.00 114 Y 7.57 4.12 0.00 3.07 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 0.00 115 D 7.51 4.90 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.91 4.17 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.81 0.00 117 D 8.25 4.53 0.00 3.10 2.72 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 0.00 0.00 0.00 0.00 118 N 9.91 4.56 0.00 3.00 2.81 0.00 0.00 7.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.55 4.57 1.97 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 1.38 0.63 1.12 0.00 0.00 120 R 8.93 4.86 0.00 1.77 1.93 0.00 3.34 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 121 V 9.11 4.48 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 1.04 0.00 0.00 1.11 0.00 0.00 122 T 9.73 5.79 4.31 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 1.25 0.00 0.00 123 T 8.37 4.50 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 1.23 0.00 0.00 124 P 0.00 4.27 0.00 2.26 2.16 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 125 K 8.08 3.80 0.00 1.83 1.97 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 126 R 7.92 3.99 0.00 1.98 1.93 0.00 3.29 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 127 H 8.71 4.28 0.00 3.34 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.79 3.88 1.87 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 1.80 0.87 0.90 0.00 0.00 129 D 7.72 4.48 0.00 2.95 2.70 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 0.00 130 I 7.52 3.67 1.75 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 1.47 0.43 0.75 0.00 0.00 131 H 7.64 4.42 0.00 3.14 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.59 4.22 0.00 1.93 1.99 0.00 3.13 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 133 G 7.75 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 0.00 0.00 0.00 134 K 8.03 4.11 0.00 1.96 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.34 7.81