NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9816 8.0544 120.3924 62.8684 32.6473 174.1888 2 H 4.6162 8.7888 126.3507 53.8090 31.4119 171.2945 3 L 4.8260 7.8050 127.0897 52.7412 45.0248 176.7803 4 T 4.1049 8.8913 114.3456 60.7313 70.8702 173.8652 5 P 4.2679 0.0000 0.0000 66.2780 31.0443 178.4642 6 E 3.9320 8.0679 117.6115 59.3729 29.3835 179.0330 7 E 3.9199 8.1199 118.5372 59.1298 29.4971 179.2676 8 K 3.7987 8.3787 120.1664 59.4546 32.2134 178.7993 9 S 4.0350 8.1639 113.1299 61.2378 62.4597 175.9621 10 A 3.9540 7.7586 122.9238 55.1261 18.1624 179.5640 11 V 3.4605 7.9204 117.0438 66.6011 31.6249 178.3668 12 T 3.9326 8.0275 115.0147 66.6238 68.0754 176.5018 13 A 4.0272 7.9650 121.5773 55.1625 18.6812 179.1370 14 L 3.8599 7.9622 118.3665 57.7789 42.2599 178.8928 15 W 4.3661 8.5918 128.5426 60.1999 30.3928 178.1088 16 G 3.7285 8.0659 104.6679 46.7612 0.0000 174.3440 17 K 4.3309 7.4803 118.4300 56.4654 32.8479 177.2088 18 V 3.6090 6.9646 119.7383 62.6360 31.7757 175.2297 19 N 4.5130 8.6026 125.8650 52.5465 37.8833 175.3873 20 V 3.5282 8.1383 126.4094 65.4244 31.8558 176.7611 21 D 4.6007 7.8852 118.3476 55.5777 41.5066 177.1301 22 E 4.4592 7.8894 117.0508 57.7935 31.3086 177.8887 23 V 3.5899 7.9737 118.5796 66.2140 31.3957 178.3225 24 G 3.6948 8.0823 104.8721 47.7028 0.0000 175.8162 25 G 3.5832 7.9928 107.6409 47.3436 0.0000 175.3721 26 E 3.8485 8.1780 121.4520 58.9516 29.6926 178.7298 27 A 3.8997 8.1254 121.0496 55.1796 18.5121 179.4096 28 L 3.9832 8.1664 119.0936 58.0523 42.1309 179.3226 29 G 3.5744 8.1866 105.7722 48.0317 0.0000 175.9466 30 R 3.9047 8.0822 120.8546 58.5034 29.9798 179.0073 31 L 4.0218 7.7870 120.3606 58.2503 41.9330 179.0873 32 L 4.0271 7.6358 118.9242 56.8675 41.5023 179.5517 33 V 3.6637 7.3212 117.6031 65.9758 31.7177 178.0980 34 V 3.5580 7.7064 116.8831 64.3327 32.6065 175.4135 35 Y 4.1068 7.3440 116.3777 53.9402 38.2846 173.8287 36 P 4.3826 0.0000 0.0000 64.9259 31.7918 177.5788 37 W 4.4394 8.0494 115.0474 59.1389 27.6327 178.0957 38 T 4.3351 7.3836 110.8826 64.5435 68.1022 176.3975 39 Q 4.2249 8.1312 121.0574 58.7258 28.3953 178.3042 40 R 3.8102 7.6851 119.1962 59.4744 30.0566 178.1824 41 F 4.1125 7.9891 115.8967 58.7438 39.1603 175.7613 42 F 4.5660 8.0184 118.2774 56.6009 39.3258 177.3370 43 E 4.0098 8.3994 122.7546 59.3890 29.4728 179.3684 44 S 4.1726 8.0195 111.3243 59.9246 63.5924 175.1438 45 F 4.5462 8.4109 119.9923 58.8175 39.8025 175.6578 46 G 4.0331 7.3436 104.9653 44.0152 0.0000 175.1529 47 D 4.5306 8.6978 126.8598 54.1850 40.9602 175.5426 48 L 4.9144 8.2981 127.0391 54.3683 43.2507 178.1213 49 S 4.2817 8.5374 116.3496 61.0696 63.0262 174.7180 50 T 4.7340 7.4103 109.5812 57.8765 73.1720 172.4710 51 P 4.1832 0.0000 0.0000 66.0573 31.2172 178.6921 52 D 4.2926 8.0274 116.6882 57.2001 40.6195 178.4195 53 A 3.9523 7.4513 119.6747 55.1215 18.8127 179.5683 54 V 3.6765 8.3655 116.9083 66.6598 31.4763 178.2637 55 M 4.1871 8.4757 117.3514 57.8604 31.8631 178.2546 56 G 3.9012 7.8262 103.6870 44.1481 0.0000 173.5033 57 N 4.3453 7.4565 120.7910 53.2602 39.5851 173.7585 58 P 4.2544 0.0000 0.0000 65.6253 31.3763 178.8790 59 K 3.7337 8.1977 117.4343 58.9793 31.8197 179.6271 60 V 3.7534 7.7952 118.2429 65.9468 31.6541 178.1556 61 K 3.9590 7.8972 117.7125 59.2836 31.6849 179.2016 62 A 3.9719 7.6209 119.8534 55.4883 18.5845 178.9056 63 H 4.3900 8.5932 117.1573 59.3950 30.0455 177.4816 64 G 3.7866 8.6684 107.9410 47.9890 0.0000 175.4599 65 K 4.0739 7.9735 121.2638 59.1480 32.0278 179.2274 66 K 4.0532 8.2047 119.1718 59.2740 32.0287 179.4335 67 V 3.7255 7.7995 118.1017 66.0708 31.5009 177.6650 68 L 4.4680 8.3362 120.2265 58.2322 41.9524 179.0174 69 G 3.8054 8.3111 105.2156 47.8748 0.0000 175.5262 70 A 4.1196 7.9963 122.8722 55.0630 18.4385 179.7672 71 F 3.9733 8.3270 115.9194 60.7781 38.8776 178.0466 72 S 4.0880 8.6988 114.9436 61.6498 62.4523 176.2201 73 D 4.4269 8.1298 119.8231 57.1935 41.1336 178.3215 74 G 3.8251 8.2540 106.2755 47.8936 0.0000 175.2382 75 L 3.7487 8.0344 122.1012 57.6518 41.9944 178.3433 76 A 4.2308 7.3974 118.5577 53.0405 19.3564 176.7518 77 H 4.9727 8.2219 115.6313 54.8731 29.8990 175.7210 78 L 3.9581 8.2032 121.0304 57.8040 41.7548 178.5813 79 D 4.5692 7.9488 115.5166 54.5171 40.5951 175.6147 80 N 5.0336 8.1774 119.3844 51.8857 39.3073 175.4013 81 L 4.1069 7.9663 121.7392 58.0722 42.0673 179.3735 82 K 4.0728 8.0650 117.0122 59.2656 31.8893 179.2235 83 G 3.6763 8.0319 105.6250 47.8876 0.0000 175.7841 84 T 3.6974 7.5342 117.1984 66.0007 68.6493 175.8327 85 F 4.5861 8.1406 117.5799 57.1565 39.0818 177.3658 86 A 4.0185 7.5473 122.7080 55.9296 18.1091 180.5523 87 T 3.8367 7.8541 113.1733 66.9370 68.5132 176.7837 88 L 4.0907 7.9200 120.3098 57.6379 41.4737 179.3546 89 S 4.2005 8.2020 114.2430 60.7901 62.5356 175.4819 90 E 4.3224 8.2310 123.3457 58.5557 29.3962 178.4318 91 L 4.0540 8.0603 120.3131 58.5960 42.1512 178.2858 92 H 4.3071 8.3480 113.1343 57.2475 27.8162 176.6598 *94 D 4.5347 7.9346 122.5198 53.8388 42.8239 177.4389 95 K 4.1576 7.6535 115.2257 57.9732 33.0532 177.7679 96 L 4.2621 7.8198 116.8280 55.1581 42.1662 176.3745 97 H 4.0967 8.0097 113.6669 56.6967 25.7378 175.1075 98 V 3.5979 8.0114 119.3535 62.1823 32.2645 175.0006 99 D 4.3863 8.4907 126.8876 53.3518 42.0212 175.0620 100 P 3.4178 0.0000 0.0000 65.3012 31.9559 178.0954 101 E 3.8984 8.1164 118.2290 59.2992 29.3648 178.6043 102 N 4.3565 7.9915 116.3684 55.9509 38.5918 177.3713 103 F 4.5214 7.5225 119.5203 60.4858 38.9776 177.9220 104 R 4.0158 7.9700 117.3764 59.1261 29.9061 178.8292 105 L 3.8825 7.7049 118.3073 57.7408 41.5248 179.2950 106 L 4.1021 8.1363 120.3236 58.1453 42.0926 179.2094 107 G 3.7325 8.1704 105.3147 48.0317 0.0000 175.4767 108 N 4.4564 8.3779 119.0400 56.0051 38.5907 177.7871 109 V 3.6220 8.1338 119.9126 65.7678 31.6057 177.7470 110 L 3.8269 8.1626 120.4346 58.1396 41.8434 179.1801 111 V 3.4679 7.5617 117.6247 66.1575 31.4809 177.8154 112 C 4.0591 8.0017 116.5131 62.6703 27.9316 176.3091 113 V 3.4068 7.6238 119.8329 65.8068 31.0125 178.1251 114 L 3.8438 7.5550 118.4898 57.5693 41.4295 179.2087 115 A 3.6337 7.1865 120.6133 55.3259 18.0399 179.1453 116 H 3.9708 7.7668 115.3260 59.8146 30.0389 176.8594 117 H 4.0931 7.9573 116.4322 57.2519 28.8463 176.6640 118 F 4.7919 8.0913 117.4426 55.8208 39.8735 180.1348 119 G 3.5086 8.6710 106.3241 45.8090 0.0000 176.8537 120 K 4.0249 9.3546 124.4483 59.8383 33.3783 179.0218 121 E 4.1249 8.6376 118.8970 58.7553 30.0849 177.4629 122 F 4.4306 7.9235 123.1652 57.1725 38.0816 175.1344 123 T 4.2137 7.2373 115.1115 60.3862 71.3826 173.5103 124 P 4.1618 0.0000 0.0000 65.6615 31.4509 177.1764 125 P 4.1931 0.0000 0.0000 65.4929 31.2373 178.9171 126 V 3.5407 7.3595 116.2111 65.7809 31.3480 177.9053 127 Q 3.5770 8.2021 119.4973 58.9222 28.7517 177.9521 128 A 3.9769 8.2614 121.9189 55.1935 18.2838 179.5206 129 A 3.8768 7.8343 118.6584 55.6129 18.4492 179.5768 130 Y 3.8917 8.0546 115.2012 61.0827 37.8600 178.7620 131 Q 4.1260 8.4900 119.4381 58.8025 28.8188 178.7238 132 K 3.9700 7.8835 119.7275 59.3253 32.0829 179.4514 133 V 3.5477 7.5498 118.1535 66.3449 31.5601 178.6742 134 V 3.9273 8.1969 111.7741 64.1729 31.2606 178.5548 135 A 4.1735 8.4012 121.1860 54.8466 18.1964 179.8168 136 G 3.5390 8.2193 104.3784 47.9575 0.0000 176.1301 137 V 3.1389 7.7961 120.5899 65.4360 31.5062 177.9458 138 A 3.8962 7.9198 120.4954 55.2635 17.9905 179.3825 139 N 4.3018 8.2014 113.9943 56.3866 38.7723 177.2500 140 A 4.1208 7.9050 122.2538 55.0828 18.1578 179.7372 141 L 3.6751 7.6932 117.3327 57.3832 41.3458 178.7243 142 A 4.6109 7.7124 117.9381 53.0128 18.7334 178.1114 143 H 4.1777 7.6555 117.2936 59.0041 29.9725 174.7010 144 K 4.1159 8.0635 124.9421 56.5892 32.0422 176.0859 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 3.98 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 0.91 0.00 0.00 0.98 0.00 0.00 2 H 8.79 4.62 0.00 3.18 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.81 4.83 0.00 1.50 1.42 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.89 4.10 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 1.26 0.00 0.00 5 P 0.00 4.27 0.00 2.26 2.34 0.00 3.68 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 2.06 2.06 0.00 6 E 8.07 3.93 0.00 2.05 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 2.39 2.45 0.00 7 E 8.12 3.92 0.00 2.21 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 2.27 2.26 0.00 8 K 8.38 3.80 0.00 1.83 1.75 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.52 7.81 9 S 8.16 4.03 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.76 3.95 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 11 V 7.92 3.46 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 0.61 0.00 0.00 0.44 0.00 0.00 12 T 8.03 3.93 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 1.25 0.00 0.00 13 A 7.97 4.03 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 14 L 7.96 3.86 0.00 1.79 1.86 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.59 4.37 0.00 3.75 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 16 G 8.07 3.73 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 0.00 0.00 0.00 17 K 7.48 4.33 0.00 1.63 2.04 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.33 7.81 18 V 6.96 3.61 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 0.14 0.00 0.00 0.65 0.00 0.00 19 N 8.60 4.51 0.00 2.73 2.67 0.00 0.00 6.85 7.71 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 20 V 8.14 3.53 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 0.86 0.00 0.00 0.84 0.00 0.00 21 D 7.89 4.60 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.89 4.46 0.00 2.01 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 2.38 2.22 0.00 23 V 7.97 3.59 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 0.92 0.00 0.00 0.91 0.00 0.00 24 G 8.08 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.18 3.85 0.00 2.21 1.92 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 2.22 2.27 0.00 27 A 8.13 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 28 L 8.17 3.98 0.00 1.83 1.70 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.19 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 0.00 0.00 0.00 30 R 8.08 3.90 0.00 1.90 1.92 0.00 3.03 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 31 L 7.79 4.02 0.00 1.82 1.85 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.64 4.03 0.00 1.77 1.67 0.68 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.32 3.66 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 0.70 0.00 0.00 0.89 0.00 0.00 34 V 7.71 3.56 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.73 0.00 0.00 35 Y 7.34 4.11 0.00 2.57 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 4.38 0.00 2.24 2.11 0.00 3.57 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 2.18 2.12 0.00 37 W 8.05 4.44 0.00 3.62 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 38 T 7.38 4.34 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 0.92 0.00 0.00 39 Q 8.13 4.22 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 40 R 7.69 3.81 0.00 1.80 1.82 0.00 3.16 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.51 0.00 41 F 7.99 4.11 0.00 2.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.02 4.57 0.00 2.81 2.17 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 43 E 8.40 4.01 0.00 2.02 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 2.40 2.47 0.00 44 S 8.02 4.17 0.00 4.14 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 45 F 8.41 4.55 0.00 3.23 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 46 G 7.34 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.70 4.53 0.00 2.65 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 48 L 8.30 4.91 0.00 1.66 1.62 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.54 4.28 0.00 4.00 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 50 T 7.41 4.73 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.18 0.00 2.14 2.12 0.00 3.58 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 2.09 2.16 0.00 52 D 8.03 4.29 0.00 2.67 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 53 A 7.45 3.95 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 54 V 8.37 3.68 2.24 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 1.03 0.00 0.00 0.94 0.00 0.00 55 M 8.48 4.19 0.00 1.93 2.08 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 2.59 2.93 0.00 56 G 7.83 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.46 4.35 0.00 3.00 2.84 0.00 0.00 7.06 7.30 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 58 P 0.00 4.25 0.00 2.13 2.04 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 59 K 8.20 3.73 0.00 1.39 0.74 0.00 1.38 0.00 0.00 1.30 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.26 7.81 60 V 7.80 3.75 2.25 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 0.86 0.00 0.00 1.12 0.00 0.00 61 K 7.90 3.96 0.00 1.97 1.82 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 62 A 7.62 3.97 1.31 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 0.00 0.00 0.00 63 H 8.59 4.39 0.00 3.63 3.61 0.00 5.81 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 8.67 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 65 K 7.97 4.07 0.00 2.03 1.84 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.50 7.81 66 K 8.20 4.05 0.00 1.91 1.86 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.62 7.81 67 V 7.80 3.73 2.34 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 1.31 0.00 0.00 1.12 0.00 0.00 68 L 8.34 4.47 0.00 2.01 1.77 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.31 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 0.00 0.00 0.00 70 A 8.00 4.12 1.52 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 0.00 0.00 0.00 71 F 8.33 3.97 0.00 3.50 3.05 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 72 S 8.70 4.09 0.00 4.27 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 73 D 8.13 4.43 0.00 2.90 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 74 G 8.25 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 0.00 0.00 0.00 75 L 8.03 3.75 0.00 1.57 1.55 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.40 4.23 1.12 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 0.00 0.00 77 H 8.22 4.97 0.00 3.05 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.20 3.96 0.00 1.59 1.71 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.95 4.57 0.00 2.78 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 80 N 8.18 5.03 0.00 2.73 2.66 0.00 0.00 7.08 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 81 L 7.97 4.11 0.00 1.77 1.82 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.07 4.07 0.00 1.66 1.75 0.00 1.64 0.00 0.00 1.36 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.46 7.81 83 G 8.03 3.68 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 0.00 0.00 0.00 84 T 7.53 3.70 4.19 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 0.51 0.00 0.00 85 F 8.14 4.59 0.00 3.11 2.90 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 0.00 0.00 0.00 86 A 7.55 4.02 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 87 T 7.85 3.84 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 88 L 7.92 4.09 0.00 2.02 1.79 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.20 4.20 0.00 4.02 4.09 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 90 E 8.23 4.32 0.00 2.22 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 0.00 2.32 2.33 0.00 91 L 8.06 4.05 0.00 1.80 1.84 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.35 4.31 0.00 3.29 3.58 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 D 7.93 4.53 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.65 4.16 0.00 1.93 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.54 7.81 96 L 7.82 4.26 0.00 1.83 1.78 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.01 4.10 0.00 3.41 3.49 0.00 5.89 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.01 3.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.43 0.00 0.00 99 D 8.49 4.39 0.00 2.77 2.45 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 0.00 100 P 0.00 3.42 0.00 2.16 2.15 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 2.10 2.10 0.00 101 E 8.12 3.90 0.00 2.03 1.88 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 2.27 2.36 0.00 102 N 7.99 4.36 0.00 2.59 2.77 0.00 0.00 6.95 7.46 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 0.00 103 F 7.52 4.52 0.00 3.05 2.90 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 0.00 0.00 0.00 104 R 7.97 4.02 0.00 2.09 1.98 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 105 L 7.70 3.88 0.00 1.69 1.25 0.42 -0.02 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 0.00 106 L 8.14 4.10 0.00 1.87 1.81 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.17 3.73 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 0.00 0.00 0.00 108 N 8.38 4.46 0.00 2.98 2.95 0.00 0.00 6.68 7.04 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 0.00 109 V 8.13 3.62 2.25 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 1.05 0.00 0.00 1.19 0.00 0.00 110 L 8.16 3.83 0.00 1.58 1.67 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.56 3.47 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 1.24 0.00 0.00 1.09 0.00 0.00 112 C 8.00 4.06 0.00 3.17 2.90 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 0.00 0.00 0.00 113 V 7.62 3.41 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 0.73 0.00 0.00 0.84 0.00 0.00 114 L 7.56 3.84 0.00 0.96 1.26 0.45 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.19 3.63 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 0.00 116 H 7.77 3.97 0.00 3.20 3.44 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.96 4.09 0.00 2.49 2.11 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.09 4.79 0.00 3.23 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 0.00 119 G 8.67 3.51 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 0.00 0.00 0.00 120 K 9.35 4.02 0.00 1.92 2.01 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.46 7.81 121 E 8.64 4.12 0.00 2.20 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 0.00 2.42 2.36 0.00 122 F 7.92 4.43 0.00 3.09 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 0.00 123 T 7.24 4.21 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 1.30 0.00 0.00 124 P 0.00 4.16 0.00 2.16 2.16 0.00 3.58 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 2.21 0.00 125 P 0.00 4.19 0.00 2.11 2.06 0.00 3.48 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 2.08 2.11 0.00 126 V 7.36 3.54 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 127 Q 8.20 3.58 0.00 1.82 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 128 A 8.26 3.98 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 0.00 129 A 7.83 3.88 1.25 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 0.00 130 Y 8.05 3.89 0.00 3.43 3.23 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 0.00 0.00 0.00 0.00 131 Q 8.49 4.13 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 132 K 7.88 3.97 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.65 7.81 133 V 7.55 3.55 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 1.03 0.00 0.00 0.79 0.00 0.00 134 V 8.20 3.93 2.30 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 1.00 0.00 0.00 1.05 0.00 0.00 135 A 8.40 4.17 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 0.00 136 G 8.22 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 0.00 137 V 7.80 3.14 1.88 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 -0.04 0.00 0.00 0.78 0.00 0.00 138 A 7.92 3.90 1.46 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 0.00 0.00 139 N 8.20 4.30 0.00 2.90 2.90 0.00 0.00 7.04 8.10 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 0.00 140 A 7.90 4.12 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 0.00 141 L 7.69 3.68 0.00 1.17 0.36 -0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.71 4.61 1.51 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 0.00 0.00 143 H 7.66 4.18 0.00 3.14 3.43 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.06 4.12 0.00 1.79 1.71 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.85 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.