NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4011 8.3344 115.4098 58.1911 64.5877 172.7919 3 H 4.3087 8.2793 120.8740 52.9598 30.2601 173.8602 4 P 4.3159 0.0000 0.0000 66.0766 31.8646 177.3037 5 D 4.6449 8.3200 116.3994 55.2646 40.8414 177.6390 6 L 4.0149 7.9757 122.3955 58.1183 42.1418 178.5418 7 N 4.3969 7.9127 115.6440 56.0379 38.5240 177.5110 8 K 4.0283 7.9070 119.6256 59.2014 32.2277 178.8480 9 L 4.0622 7.8195 120.1886 58.3681 41.8132 179.1167 10 L 4.0985 7.8753 117.5642 57.7597 41.5513 178.8542 11 E 4.1352 7.9055 118.3327 58.9686 29.9885 178.3029 12 L 4.2451 8.0718 118.4528 56.3350 41.8486 178.6999 13 W 4.0802 8.3741 129.0121 60.2676 30.5800 175.8821 14 P 4.7825 0.0000 0.0000 65.5349 30.7554 178.2660 15 H 4.2184 8.2330 114.2814 58.6563 28.6394 177.7698 16 I 3.5619 7.4447 121.5550 64.1732 36.6733 178.2828 17 Q 3.7845 8.0477 119.1782 59.1521 28.5841 178.7845 18 E 3.9184 8.0721 119.3172 59.7076 29.4080 178.9704 19 Y 3.9462 8.0850 119.3877 60.7417 38.7918 177.8947 20 Q 3.7499 8.1741 120.6026 59.1239 29.0928 177.9722 21 D 4.2591 8.1641 120.3456 57.0546 40.3267 178.4499 22 L 3.8720 7.9187 120.8408 57.8345 42.0197 178.8258 23 A 3.7711 7.8148 120.9670 55.0093 18.2450 179.3229 24 L 3.9969 7.9153 120.3237 57.6197 41.9433 179.0516 25 K 3.8887 7.9435 118.2954 58.6675 31.9764 176.7807 26 H 4.6448 7.4505 114.4963 55.4636 29.0187 175.3262 27 G 3.8042 8.2983 107.0460 45.4851 0.0000 174.1244 28 I 4.2140 7.7590 121.8862 59.6452 37.5103 175.7200 29 N 4.6106 8.5681 122.4198 52.8908 37.5584 175.2213 30 D 4.4888 7.4033 119.8934 53.3536 42.1446 175.1651 31 I 3.7097 8.6994 121.6024 62.8949 37.8783 177.8068 32 F 4.9342 7.6638 117.9148 57.7305 39.1997 175.1520 33 Q 4.6349 7.2982 119.2657 54.8080 32.4996 174.1092 34 D 4.4844 9.5592 116.1721 55.5435 38.7426 174.0444 35 N 4.1949 8.3469 111.7656 54.3895 36.4973 176.4258 36 G 4.0003 7.8900 109.5082 47.4636 0.0000 176.5580 37 G 3.8108 7.8864 106.4892 46.7438 0.0000 175.5158 38 K 4.4351 7.6658 121.7676 58.2313 32.2385 178.5175 39 L 3.9609 8.2841 121.1159 58.3285 41.9491 178.6520 40 L 3.8211 7.7173 119.5177 58.3662 41.3190 179.1003 41 Q 3.9563 8.0170 117.6842 58.9155 28.6532 178.8035 42 V 3.4997 7.8016 118.6415 65.9751 31.5238 177.7371 43 L 3.8995 8.0261 118.7308 58.0186 41.2962 179.7028 44 L 3.9183 7.6633 117.1994 57.3306 41.5261 179.4848 45 I 3.8265 7.4339 119.6158 64.5212 37.2566 178.1490 46 T 4.0845 7.9747 109.4542 62.6353 68.9523 175.7880 47 G 3.9090 8.1670 108.9878 44.6449 0.0000 173.3981 48 L 4.4355 7.2995 119.1387 54.9336 42.6200 176.5374 49 T 4.7430 8.6343 116.4093 61.9647 73.0002 173.3326 50 V 4.5703 8.2769 117.2830 59.6872 33.3823 175.9554 51 L 4.3923 8.4414 125.5520 52.8812 42.8270 174.4847 52 P 4.2597 0.0000 0.0000 64.1515 31.7657 176.7412 53 G 3.8899 8.9026 109.1218 45.6699 0.0000 173.7161 54 R 4.1171 7.5046 118.2083 56.2067 30.0121 177.4817 55 E 4.2627 8.8439 115.4119 59.1205 31.0839 178.2364 56 G 4.0130 7.2412 109.6444 46.0706 0.0000 176.3407 57 N 4.8572 8.4856 121.1626 51.7239 36.2766 172.1677 58 D 5.4166 7.7875 118.0183 51.4467 42.9451 176.5898 59 A 5.0827 8.9217 121.6357 50.5381 23.3865 174.8734 60 V 5.8363 8.9490 110.4706 59.3257 36.6394 175.9382 61 D 5.0545 8.7561 123.1197 52.0085 42.0694 176.3941 62 N 4.4955 8.9581 114.3046 54.5674 37.3185 175.1485 63 A 4.4549 8.3269 120.9149 51.9150 19.4946 177.7367 64 G 3.9729 8.1830 105.5515 45.0915 0.0000 174.0193 65 Q 4.0658 8.4236 122.7407 56.0634 29.9101 174.9692 66 E 4.9424 8.6296 127.2794 56.1417 31.1134 174.9026 67 Y 4.9953 9.1044 121.7372 56.3696 43.0079 173.6127 68 E 4.2272 8.6594 124.1047 54.8401 31.2076 174.5462 69 L 4.9877 8.0603 126.8771 52.8774 43.7564 176.0565 70 K 4.7744 9.0145 122.9375 54.6805 35.7530 175.4019 71 S 5.7586 8.8775 117.8872 57.2002 66.8286 173.2255 72 I 4.5170 8.8835 121.3028 59.6074 42.0439 173.5785 73 N 5.3631 8.6562 127.3565 51.9768 39.0339 174.8975 74 I 4.6798 8.7209 120.0280 62.2733 37.6049 177.1848 75 D 4.5431 8.5330 122.1105 56.1483 41.1430 176.7139 76 L 4.5655 7.7964 117.8213 55.6627 44.0161 176.1972 77 T 4.6837 7.4057 110.3187 60.7745 70.7247 173.1235 78 K 4.4805 8.6569 121.1239 55.6962 34.2602 175.4755 79 G 4.5091 7.6915 106.3137 44.1375 0.0000 173.2975 80 F 4.4810 9.4961 125.2347 57.5273 39.9875 175.6880 81 S 4.4555 8.9665 119.7504 59.1439 63.2948 172.1813 82 T 4.6422 9.7742 108.4860 62.0935 71.4225 173.1696 83 H 4.7835 7.5333 118.2231 53.7316 33.6807 174.3412 84 H 4.2824 8.7445 125.3477 58.9899 30.5403 174.1532 85 H 5.2545 8.0990 114.5342 54.3583 28.2219 173.1766 86 M 4.2142 8.5574 120.7363 55.7518 33.7550 175.5769 87 N 4.8570 8.4934 121.5007 50.1395 40.6321 173.3015 88 P 3.9331 0.0000 0.0000 65.8033 30.8160 179.0947 89 V 3.4639 7.3988 115.7173 65.8739 31.8120 177.7266 90 I 3.7579 7.7782 119.4785 64.3934 36.8040 178.3517 91 I 3.7664 7.9127 120.5648 64.4789 36.6943 178.2853 92 A 3.8957 7.7942 120.4486 54.9346 18.1571 179.3290 93 K 3.7389 7.5195 116.4655 58.9500 32.0613 177.5216 94 Y 4.9445 7.3073 113.6200 57.5488 39.4861 177.1773 95 R 3.7009 7.8832 123.3025 59.3981 30.0806 177.6053 96 Q 4.3669 8.0534 113.7134 56.4541 29.3198 175.7425 97 V 4.5067 7.3675 111.4199 58.6587 34.4559 173.8001 98 P 4.9171 0.0000 0.0000 62.5276 32.9186 175.1393 99 W 5.2702 9.7711 121.0350 55.1276 32.9310 175.0136 100 I 4.9069 9.0068 123.9822 59.8749 39.1889 174.5332 101 F 5.1849 9.6023 127.1928 55.7289 41.1318 174.7622 102 A 5.2789 9.5224 126.3780 50.2194 21.7105 174.9363 103 I 4.8561 8.9204 123.5181 59.8437 39.6005 174.5545 104 Y 5.2123 9.1472 124.0075 56.3793 41.7948 175.2360 105 R 4.4601 9.0448 122.3320 56.1611 31.0907 178.9422 106 G 3.8971 9.7789 119.4390 46.3794 0.0000 173.5117 107 I 4.1434 8.9617 124.3977 60.7067 39.6753 175.0593 108 A 4.5272 7.6741 124.3016 50.4758 19.4353 176.6353 109 I 3.8370 8.5793 123.9465 61.2272 38.7354 174.5900 110 E 4.7418 8.8648 127.5813 57.5486 31.9634 175.4897 111 A 4.8472 7.5888 117.7765 51.1854 22.9468 175.2273 112 I 5.2611 8.2531 119.0125 59.9331 41.6151 174.1830 113 Y 5.1879 9.5614 123.3716 56.1902 42.3229 174.2317 114 R 5.3294 9.2375 122.7510 54.7161 32.9988 174.5991 115 L 5.2312 9.1926 125.4837 53.1227 45.3586 176.3737 116 E 4.7463 9.7637 123.1379 54.6549 31.1931 175.5696 117 P 4.3959 0.0000 0.0000 66.8399 31.0254 179.7567 118 K 4.0766 8.0462 120.7112 59.7810 31.6863 180.4230 119 D 4.6988 8.1844 117.7529 56.4304 41.0393 177.7323 120 L 4.1577 7.5531 118.2727 54.8988 42.1484 177.8211 121 E 3.7406 7.9911 119.6320 59.4247 29.4473 178.2064 122 F 3.8178 8.0401 119.8526 61.4828 39.2295 176.5575 123 Y 2.7667 7.3664 116.1574 60.2791 37.5906 177.3834 124 Y 4.2722 6.8472 117.0968 61.3243 37.9938 178.4635 125 D 4.2668 8.1839 120.0624 56.9430 40.8925 178.5526 126 K 3.5688 7.1266 119.6826 59.4548 32.1285 178.9179 127 W 4.5653 7.8802 119.1005 59.7863 28.8653 178.5352 128 E 4.2307 8.6046 118.8369 59.4076 28.4835 179.1494 129 R 3.9423 8.5006 119.2406 59.3707 30.1144 178.5041 130 K 4.0503 8.3186 119.2893 59.3182 32.2862 178.4374 131 W 4.3204 8.4998 128.6995 61.0321 30.4048 177.5556 132 Y 3.9191 8.8037 117.7571 61.1159 37.3359 178.4167 133 S 4.5888 7.7255 118.4286 61.6491 62.8294 179.3100 134 D 5.0881 7.9027 120.2848 53.0638 40.1852 176.6226 135 G 3.4905 7.9161 105.8370 47.5833 0.0000 173.6075 136 H 2.5800 7.3956 114.4611 56.2444 26.6430 176.1556 137 K 4.4737 7.6909 118.8407 53.3754 33.0882 178.6390 138 D 4.9738 8.6513 122.4165 54.2430 41.9163 175.6883 139 I 4.2843 8.5528 123.2958 59.9695 39.1925 174.7764 140 N 5.0665 8.8424 126.1105 51.9282 38.2952 174.0147 141 N 4.1438 8.2716 127.5296 53.7117 37.7200 172.2614 142 P 4.5008 0.0000 0.0000 62.9740 32.7166 177.5651 143 K 4.9981 8.6653 120.3456 55.0385 34.8593 175.7203 144 I 3.7887 8.2759 124.2762 58.6632 39.1659 173.5604 145 P 4.6864 0.0000 0.0000 62.9659 31.8714 177.9963 146 V 3.9040 8.9738 125.8889 66.6005 31.4064 179.2766 147 K 3.9111 8.0493 123.1073 59.8984 31.5299 180.7793 148 Y 4.1335 7.9105 120.5633 60.5218 38.7690 178.2305 149 V 3.2560 7.7759 119.0747 66.2173 31.3033 177.9583 150 M 2.8612 7.8099 119.9851 58.2033 31.7596 178.9641 151 E 4.0235 7.8449 117.9471 61.0341 30.1343 181.2645 152 H 4.6348 7.9956 116.0324 56.3396 29.3678 175.8983 153 G 4.1027 7.6536 107.6402 45.9521 0.0000 173.0291 154 T 4.7765 8.9336 116.7167 61.1757 70.6734 174.5292 155 K 3.7100 8.7196 128.9671 56.2589 32.5212 176.2463 156 I 4.4944 8.3938 119.4605 60.5327 38.9420 175.0064 157 Y 4.1679 7.4739 128.8994 58.3907 38.4639 173.6579 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 S 8.33 4.40 0.00 3.98 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 3 H 8.28 4.31 0.00 3.26 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.32 0.00 2.28 2.26 0.00 2.98 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 5 D 8.32 4.64 0.00 2.74 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 6 L 7.98 4.01 0.00 1.83 1.71 0.84 0.63 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 7 N 7.91 4.40 0.00 2.82 2.86 0.00 0.00 6.91 6.78 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 8 K 7.91 4.03 0.00 1.96 1.88 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 9 L 7.82 4.06 0.00 1.81 1.92 1.37 0.82 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 10 L 7.88 4.10 0.00 1.85 1.74 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.91 4.14 0.00 2.03 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 0.00 2.34 2.50 0.00 12 L 8.07 4.25 0.00 2.03 1.74 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.37 4.08 0.00 3.65 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 14 P 0.00 4.78 0.00 2.30 2.19 0.00 4.14 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 15 H 8.23 4.22 0.00 3.37 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.44 3.56 1.17 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.36 0.00 0.00 17 Q 8.05 3.78 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 18 E 8.07 3.92 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 19 Y 8.09 3.95 0.00 3.06 2.99 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 20 Q 8.17 3.75 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 21 D 8.16 4.26 0.00 2.85 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 22 L 7.92 3.87 0.00 1.72 1.53 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.81 3.77 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 24 L 7.92 4.00 0.00 1.86 1.75 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.94 3.89 0.00 1.84 1.98 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.38 7.81 26 H 7.45 4.64 0.00 3.20 3.20 0.00 5.75 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 27 G 8.30 3.80 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 28 I 7.76 4.21 1.88 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 1.30 1.03 0.85 0.00 0.00 29 N 8.57 4.61 0.00 2.78 2.89 0.00 0.00 6.00 8.06 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 30 D 7.40 4.49 0.00 2.65 2.54 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 31 I 8.70 3.71 1.68 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.77 0.00 0.00 32 F 7.66 4.93 0.00 3.13 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 33 Q 7.30 4.63 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.31 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 34 D 9.56 4.48 0.00 2.77 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 35 N 8.35 4.19 0.00 2.87 2.78 0.00 0.00 6.85 7.60 0.00 0.00 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 G 7.89 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 37 G 7.89 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 38 K 7.67 4.44 0.00 1.60 0.96 0.00 1.38 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.08 1.06 7.81 39 L 8.28 3.96 0.00 1.82 1.86 0.90 0.49 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 40 L 7.72 3.82 0.00 1.63 1.57 0.72 0.39 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 41 Q 8.02 3.96 0.00 2.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 42 V 7.80 3.50 2.26 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 1.09 0.00 0.00 1.00 0.00 0.00 43 L 8.03 3.90 0.00 1.77 1.76 0.88 0.87 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 44 L 7.66 3.92 0.00 1.53 1.63 0.79 0.30 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 45 I 7.43 3.83 1.66 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.33 0.69 0.00 0.00 46 T 7.97 4.08 4.13 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 1.16 0.00 0.00 47 G 8.17 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.30 4.44 0.00 1.45 1.50 0.56 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.63 4.74 4.24 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 1.21 0.00 0.00 50 V 8.28 4.57 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 0.68 0.00 0.00 0.93 0.00 0.00 51 L 8.44 4.39 0.00 1.71 1.57 0.93 1.01 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 52 P 0.00 4.26 0.00 2.16 2.04 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 53 G 8.90 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 54 R 7.50 4.12 0.00 2.16 2.05 0.00 3.40 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 55 E 8.84 4.26 0.00 2.01 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 2.23 1.88 0.00 56 G 7.24 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 0.00 0.00 0.00 57 N 8.49 4.86 0.00 2.61 2.68 0.00 0.00 6.37 8.08 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 58 D 7.79 5.42 0.00 2.74 2.59 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 59 A 8.92 5.08 1.23 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 0.00 0.00 60 V 8.95 5.84 2.16 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 0.84 0.00 0.00 0.97 0.00 0.00 61 D 8.76 5.05 0.00 2.86 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.96 4.50 0.00 2.85 2.99 0.00 0.00 5.79 7.26 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 63 A 8.33 4.45 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 64 G 8.18 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 65 Q 8.42 4.07 0.00 2.19 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.08 1.63 0.00 66 E 8.63 4.94 0.00 2.03 1.80 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 2.32 2.39 0.00 67 Y 9.10 5.00 0.00 2.86 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 68 E 8.66 4.23 0.00 1.16 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 1.47 1.47 0.00 69 L 8.06 4.99 0.00 1.61 1.48 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.01 4.77 0.00 1.15 1.93 0.00 1.68 0.00 0.00 1.46 0.00 0.00 2.43 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.83 1.58 7.81 71 S 8.88 5.76 0.00 3.79 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 72 I 8.88 4.52 0.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.39 0.50 0.00 0.00 73 N 8.66 5.36 0.00 2.80 2.69 0.00 0.00 6.87 7.98 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 74 I 8.72 4.68 1.88 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 1.48 1.59 0.88 0.00 0.00 75 D 8.53 4.54 0.00 2.90 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 76 L 7.80 4.57 0.00 1.72 1.67 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.41 4.68 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 1.21 0.00 0.00 78 K 8.66 4.48 0.00 1.67 1.73 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.34 7.81 79 G 7.69 4.51 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 80 F 9.50 4.48 0.00 3.38 3.32 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 81 S 8.97 4.46 0.00 3.84 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 82 T 9.77 4.64 4.36 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 1.51 0.00 0.00 83 H 7.53 4.78 0.00 3.18 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.74 4.28 0.00 3.19 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.10 5.25 0.00 3.12 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.56 4.21 0.00 2.02 1.67 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 2.45 1.76 0.00 87 N 8.49 4.86 0.00 2.47 3.02 0.00 0.00 6.24 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 88 P 0.00 3.93 0.00 1.58 1.98 0.00 2.20 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.32 0.00 89 V 7.40 3.46 2.12 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 0.78 0.00 0.00 0.84 0.00 0.00 90 I 7.78 3.76 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.45 0.93 0.00 0.00 91 I 7.91 3.77 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.50 0.00 0.00 92 A 7.79 3.90 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 93 K 7.52 3.74 0.00 1.40 0.74 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.16 1.25 7.81 94 Y 7.31 4.94 0.00 3.40 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 95 R 7.88 3.70 0.00 1.67 1.88 0.00 3.18 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 96 Q 8.05 4.37 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 97 V 7.37 4.51 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 0.74 0.00 0.00 1.22 0.00 0.00 98 P 0.00 4.92 0.00 2.31 2.24 0.00 3.37 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.18 0.00 99 W 9.77 5.27 0.00 3.21 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.01 4.91 1.82 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 1.31 0.68 0.90 0.00 0.00 101 F 9.60 5.18 0.00 2.91 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 0.00 102 A 9.52 5.28 1.13 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 0.00 0.00 103 I 8.92 4.86 2.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.14 0.98 0.00 0.00 104 Y 9.15 5.21 0.00 2.98 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 0.00 105 R 9.04 4.46 0.00 1.83 2.03 0.00 3.21 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 106 G 9.78 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 0.00 107 I 8.96 4.14 1.85 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 1.31 0.48 0.86 0.00 0.00 108 A 7.67 4.53 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 0.00 109 I 8.58 3.84 1.86 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.64 0.83 0.00 0.00 110 E 8.86 4.74 0.00 1.98 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 0.00 2.25 2.31 0.00 111 A 7.59 4.85 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 0.00 112 I 8.25 5.26 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 1.02 0.00 0.00 113 Y 9.56 5.19 0.00 2.98 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 0.00 114 R 9.24 5.33 0.00 1.95 1.88 0.00 3.32 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 115 L 9.19 5.23 0.00 1.97 1.61 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.76 4.75 0.00 2.09 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 2.37 2.47 0.00 117 P 0.00 4.40 0.00 2.24 2.50 0.00 3.67 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 2.20 2.32 0.00 118 K 8.05 4.08 0.00 1.85 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.10 7.81 119 D 8.18 4.70 0.00 2.80 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 0.00 120 L 7.55 4.16 0.00 1.13 0.48 0.23 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.99 3.74 0.00 2.06 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 2.40 2.64 0.00 122 F 8.04 3.82 0.00 3.01 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 0.00 123 Y 7.37 2.77 0.00 2.28 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 0.00 124 Y 6.85 4.27 0.00 2.99 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 0.00 125 D 8.18 4.27 0.00 2.41 2.55 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 0.00 0.00 0.00 0.00 126 K 7.13 3.57 0.00 1.06 1.25 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.27 7.81 127 W 7.88 4.57 0.00 3.67 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 0.00 128 E 8.60 4.23 0.00 2.24 2.12 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 2.46 2.58 0.00 129 R 8.50 3.94 0.00 2.02 2.09 0.00 3.04 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 130 K 8.32 4.05 0.00 2.07 2.13 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.78 7.81 131 W 8.50 4.32 0.00 3.66 3.55 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 0.00 0.00 0.00 0.00 132 Y 8.80 3.92 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 0.00 133 S 7.73 4.59 0.00 3.73 3.76 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 0.00 134 D 7.90 5.09 0.00 2.81 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 0.00 135 G 7.92 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 0.00 0.00 0.00 136 H 7.40 2.58 0.00 2.77 2.48 0.00 5.84 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.69 4.47 0.00 1.81 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.27 7.81 138 D 8.65 4.97 0.00 2.67 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 0.00 139 I 8.55 4.28 1.75 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 1.21 1.04 0.88 0.00 0.00 140 N 8.84 5.07 0.00 2.71 2.74 0.00 0.00 7.42 7.79 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 0.00 141 N 8.27 4.14 0.00 2.74 2.70 0.00 0.00 7.19 7.69 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 0.00 142 P 0.00 4.50 0.00 2.03 1.88 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.05 0.00 143 K 8.67 5.00 0.00 1.71 1.82 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.42 7.81 144 I 8.28 3.79 1.91 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 0.75 0.84 0.36 0.00 0.00 145 P 0.00 4.69 0.00 2.19 2.06 0.00 3.39 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 146 V 8.97 3.90 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 1.11 0.00 0.00 0.85 0.00 0.00 147 K 8.05 3.91 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.07 7.81 148 Y 7.91 4.13 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 0.00 149 V 7.78 3.26 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 0.46 0.00 0.00 -0.24 0.00 0.00 150 M 7.81 2.86 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.06 0.00 151 E 7.84 4.02 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 152 H 8.00 4.63 0.00 2.60 3.09 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.65 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 0.00 0.00 0.00 154 T 8.93 4.78 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 1.22 0.00 0.00 155 K 8.72 3.71 0.00 1.26 1.48 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.09 0.71 7.81 156 I 8.39 4.49 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.97 0.00 0.00 157 Y 7.47 4.17 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00