NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4790 8.3049 120.3304 55.4785 33.1893 174.4257 2 M 4.4176 8.5797 123.7314 53.1404 34.1607 170.2766 3 V 4.3616 8.3167 122.2845 60.7900 34.2533 174.1117 4 W 4.6393 8.9514 135.0000 57.4729 31.1489 175.3339 5 T 4.1664 8.1187 124.0235 61.4796 66.9795 172.6379 6 P 4.5601 0.0000 0.0000 63.3933 32.2630 175.8275 7 V 4.3099 7.2332 118.0126 60.9713 33.9871 174.9468 8 N 4.6844 8.5447 122.5745 52.5419 37.7791 174.6550 9 N 5.0655 8.2079 125.0458 52.6584 39.8126 174.7141 10 K 4.0334 8.3440 116.1168 56.6033 32.7055 176.6391 11 M 4.9931 8.2871 121.4329 54.1118 35.0946 175.6311 12 F 4.5790 8.5600 116.8571 57.0476 41.1834 176.2766 13 E 3.4807 8.4385 122.1226 57.1931 27.8674 175.5432 14 T 3.8896 8.3499 122.3691 66.4829 68.8353 174.2601 15 F 4.5468 9.0837 124.5243 57.5713 36.6607 176.2165 16 S 4.5277 8.2265 114.4806 60.0241 63.0767 174.4250 17 Y 4.3498 8.2383 117.6035 58.3318 38.2414 175.2377 18 L 4.6435 7.5583 120.2979 52.3725 43.3456 174.6397 19 P 4.4628 0.0000 0.0000 61.8199 31.8076 174.9703 20 P 4.2730 0.0000 0.0000 62.9470 31.7423 176.4391 21 L 4.0119 8.3318 122.8542 54.6564 42.2046 177.8998 22 T 4.2105 8.1982 113.8956 61.2392 71.0301 175.3279 23 D 4.3301 8.5136 120.9524 57.5438 40.8247 178.6720 24 E 3.9627 8.1235 119.2964 59.3936 29.7929 178.7980 25 Q 3.9299 7.9974 118.1679 58.7234 28.6996 178.6654 26 I 3.7174 8.0479 120.8996 64.4504 37.1637 178.1040 27 A 4.0266 8.4257 121.7540 55.4322 18.1983 179.5573 28 A 3.9613 8.1542 119.0007 55.4019 18.4740 179.9469 29 Q 4.1198 7.9972 116.2848 59.0474 28.7774 179.0168 30 V 3.7612 8.2369 119.5164 66.0798 31.5956 177.6999 31 D 4.4168 8.4842 118.9394 57.6091 40.5970 178.2117 32 Y 4.2067 8.1424 119.7417 60.7106 38.8071 178.0975 33 I 3.8597 7.9151 120.5641 64.6340 37.3030 178.6460 34 V 3.5279 7.8228 118.6665 65.8986 31.1518 177.7631 35 A 3.9172 8.1744 119.8795 54.8057 18.2606 178.4163 36 N 4.0910 7.1403 111.6453 52.1443 38.7020 175.6799 37 G 3.7558 7.2919 108.3192 46.1718 0.0000 174.1174 38 W 4.9624 7.5226 118.8984 55.9548 30.7793 176.2613 39 I 4.3830 8.9172 123.1109 59.5843 37.8833 174.0792 40 P 4.9086 0.0000 0.0000 62.8936 32.7481 175.1602 41 C 4.9940 8.9027 121.5841 58.3649 35.5741 172.4646 42 L 5.3309 8.7562 123.8089 53.2358 44.4710 175.1885 43 E 5.6450 9.1924 120.7776 55.0500 34.2444 174.5065 44 F 5.5721 9.1245 115.6595 56.1217 41.9854 172.9337 45 A 4.4796 8.2242 120.2081 50.2477 22.6240 176.2812 46 E 4.2667 8.6137 118.8806 55.7244 30.7109 177.6907 47 A 4.2757 8.8271 122.8845 55.8225 18.4401 179.9252 48 D 4.4958 8.1883 113.5765 56.5648 41.0260 177.2976 49 K 4.6167 7.9212 117.0451 56.0646 32.4884 176.9050 50 A 3.9289 7.6835 124.6069 53.8478 18.9408 178.3490 51 Y 4.7338 7.4596 111.7023 55.4307 40.2479 175.9113 52 V 3.8032 8.4142 122.2929 62.6892 31.6206 175.4541 53 S 4.7495 9.0448 116.7111 57.4090 66.3333 173.7130 54 N 5.2498 8.5613 114.2966 52.5469 39.4840 176.2698 55 E 3.9810 8.3024 119.0430 59.7676 29.3055 179.1635 56 S 4.0030 8.8582 115.6218 60.6796 62.8604 176.0736 57 A 2.5800 7.6485 123.3704 53.7580 17.7319 179.0539 58 I 3.5677 6.9135 116.3010 63.7422 37.9986 177.1011 59 R 4.2684 7.4931 116.5775 55.6527 30.5605 176.1264 60 F 5.1334 7.1785 118.0789 55.7309 41.5155 177.6960 61 G 4.0476 8.2696 116.9759 46.2503 0.0000 175.4564 62 S 4.6322 8.4433 114.0190 58.7726 62.3660 174.4713 63 V 4.4447 7.3015 107.2891 61.1877 33.1302 177.5700 64 S 4.5116 8.2147 114.7601 59.3751 63.5929 173.4037 65 C 3.9774 8.0879 119.0322 61.6255 27.9539 173.2029 66 L 3.6040 8.4478 123.1054 55.6128 38.9584 173.1732 67 Y 4.3543 7.7446 119.7534 55.9270 39.9217 174.6096 68 Y 4.8829 7.2146 123.4018 56.2301 42.2759 174.8107 69 D 4.4856 8.8298 123.4009 55.4674 41.6510 176.9200 70 N 4.7514 8.9105 116.7996 54.1920 35.9786 176.0768 71 R 3.9325 7.9848 118.5069 59.3741 30.3629 177.1400 72 Y 4.3572 7.6805 114.4475 57.9663 38.3459 175.2426 73 W 5.0919 8.6506 123.9678 55.3275 32.7307 174.5115 74 T 4.2735 8.1533 117.2140 62.7257 69.3712 174.6528 75 M 4.4986 8.5328 126.6304 55.3249 33.1691 175.1343 76 W 4.8578 9.5066 135.0000 56.3501 31.4472 176.8509 77 K 3.4086 8.5487 128.2912 57.5088 30.9549 177.8983 78 L 4.9227 8.2584 124.2968 52.6584 45.1873 173.9973 79 P 4.3143 0.0000 0.0000 63.4917 32.2339 177.6087 80 M 4.3027 8.7470 123.5899 53.6513 30.4738 175.9363 81 F 4.5087 7.2553 118.0379 59.0563 39.9894 176.6933 82 G 4.0044 9.1424 112.8344 45.4707 0.0000 173.1321 83 C 4.2331 7.9537 120.8772 59.8679 31.7320 173.1873 84 R 4.5620 8.6371 124.0129 55.5021 31.2346 174.4008 85 D 4.8081 7.7990 118.1859 51.4217 42.8250 174.4353 86 P 4.3204 0.0000 0.0000 65.9977 31.2374 178.5225 87 M 4.1105 8.2588 117.4092 58.2331 31.7792 178.5179 88 Q 3.9595 7.9192 119.8786 59.1396 29.2311 178.5427 89 V 3.6006 7.7653 118.6695 66.1326 31.7787 177.7984 90 L 4.0175 8.0573 118.6546 57.9252 41.3700 179.7905 91 R 3.9815 8.3477 118.2687 59.2629 29.9444 178.9914 92 E 4.1033 8.3280 118.5464 59.2615 29.4641 179.2753 93 I 3.5229 7.8782 120.0460 64.2761 37.1686 178.5606 94 V 3.4608 7.6355 118.3954 65.9434 31.3863 177.9090 95 A 3.9410 8.0521 120.5692 55.1507 18.2360 179.1471 96 C 2.0000 7.6787 117.6419 62.0911 31.2813 175.9812 97 T 3.6981 7.4583 111.2348 64.4486 67.9258 176.2903 98 K 3.8095 7.7221 121.6306 59.3170 32.3202 178.4522 99 A 3.9825 7.5706 119.9114 53.4824 19.9526 177.6337 100 F 4.7035 7.7515 115.5847 55.0668 39.0986 173.9964 101 P 4.4465 0.0000 0.0000 64.2292 31.8761 177.8714 102 D 4.6409 8.0475 116.6159 53.9081 41.2818 175.5930 103 A 4.6314 7.3974 120.9490 50.6182 20.9982 177.1419 104 Y 4.2016 8.5527 117.7797 57.8899 39.4228 175.3064 105 V 5.2526 8.9246 123.0018 61.1493 35.2813 174.2338 106 R 4.9976 9.4590 123.9911 54.2391 32.8645 173.9771 107 L 4.7763 8.0106 123.9403 54.1894 43.6954 175.7524 108 V 4.8651 8.6712 118.2970 59.5120 36.4926 174.1247 109 A 4.8976 8.0981 121.4546 50.4724 22.8247 175.1759 110 F 5.2033 9.0036 119.6413 55.7607 42.4153 174.1614 111 D 5.3922 8.8350 122.6685 52.7552 42.3973 176.6712 112 N 4.7309 9.1612 122.8739 54.2821 38.4244 176.4104 113 Q 4.1793 8.4172 118.0319 58.9806 29.1008 177.4356 114 K 4.0357 8.6021 115.1573 56.9921 32.8265 176.7970 115 Q 3.4209 8.0316 118.2258 55.7659 26.9793 172.6887 116 V 4.4756 7.8707 117.1651 60.0494 34.9866 173.9722 117 Q 4.2844 8.8145 123.4972 56.6616 29.2873 175.6140 118 I 4.2500 8.0819 124.4278 61.0729 40.0301 174.3136 119 M 4.5552 6.6320 117.3819 54.3668 34.3733 173.6829 120 G 4.9587 8.2434 108.5740 47.3100 0.0000 172.1409 121 F 5.0062 7.0789 115.7667 55.3053 41.0809 172.7923 122 L 4.5002 8.8362 122.8473 55.5788 41.9498 176.7850 123 V 4.4753 8.8588 118.4937 61.5304 34.1069 175.7827 124 Q 4.5653 7.8025 121.3196 54.3051 32.4357 173.3949 125 R 4.3296 8.1096 121.8511 52.8785 32.6550 173.5789 126 P 4.1425 0.0000 0.0000 62.7778 31.5853 177.4652 127 K 4.1634 8.4605 120.1419 59.1107 32.7707 177.9012 128 S 4.3051 7.9439 112.7765 59.2772 63.5891 174.2653 129 A 4.3293 7.8371 125.9839 52.6863 18.4079 177.3681 130 R 4.7228 8.7177 118.4380 56.0111 30.5193 175.0357 131 D 4.9544 8.6628 116.1535 53.2642 39.7199 175.3231 132 W 5.5926 7.7541 114.8784 55.4053 31.3646 173.9010 133 Q 4.3078 8.4190 117.5100 52.8632 31.2265 174.1985 134 P 4.4808 0.0000 0.0000 62.3917 31.9120 176.9506 135 A 3.9705 8.8998 123.0044 55.6045 18.1816 179.0808 136 N 4.7292 8.0504 109.1962 53.5152 37.7759 175.4337 137 K 4.4259 7.7233 117.2497 56.3336 33.1005 177.3734 138 R 3.5619 7.5558 119.3514 57.8731 30.1101 176.6703 139 S 5.0294 7.4253 110.2586 56.3389 66.1017 174.2345 140 V 3.9868 8.5226 114.7483 61.7551 32.2078 175.5925 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 M 8.30 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.42 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 3 V 8.32 4.36 2.11 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.95 4.64 0.00 3.48 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 5 T 8.12 4.17 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 1.01 0.00 0.00 6 P 0.00 4.56 0.00 2.23 2.19 0.00 3.74 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 1.96 1.96 0.00 7 V 7.23 4.31 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 0.80 0.00 0.00 0.91 0.00 0.00 8 N 8.54 4.68 0.00 2.71 2.81 0.00 0.00 6.65 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.21 5.07 0.00 2.68 2.69 0.00 0.00 7.26 6.68 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 10 K 8.34 4.03 0.00 1.98 1.50 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.48 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.33 1.47 7.81 11 M 8.29 4.99 0.00 2.10 2.12 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 2.47 2.66 0.00 12 F 8.56 4.58 0.00 3.13 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 13 E 8.44 3.48 0.00 2.14 1.73 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 2.21 2.14 0.00 14 T 8.35 3.89 4.20 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 0.23 0.00 0.00 15 F 9.08 4.55 0.00 3.27 3.15 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 16 S 8.23 4.53 0.00 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.24 4.35 0.00 3.06 3.21 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 18 L 7.56 4.64 0.00 1.81 1.61 0.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.04 2.01 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 2.04 2.15 0.00 20 P 0.00 4.27 0.00 2.07 2.03 0.00 3.74 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 2.15 2.25 0.00 21 L 8.33 4.01 0.00 1.59 1.49 0.34 0.57 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 22 T 8.20 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 1.19 0.00 0.00 23 D 8.51 4.33 0.00 2.70 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 24 E 8.12 3.96 0.00 2.02 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 2.35 2.39 0.00 25 Q 8.00 3.93 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.05 3.72 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.74 1.09 0.00 0.00 27 A 8.43 4.03 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 28 A 8.15 3.96 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 29 Q 8.00 4.12 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.35 1.92 0.00 30 V 8.24 3.76 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 1.10 0.00 0.00 1.11 0.00 0.00 31 D 8.48 4.42 0.00 2.98 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 32 Y 8.14 4.21 0.00 3.21 3.37 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 33 I 7.92 3.86 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 1.06 0.00 0.00 34 V 7.82 3.53 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.17 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.14 4.09 0.00 1.44 1.42 0.00 0.00 7.04 8.91 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 37 G 7.29 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 0.00 0.00 0.00 38 W 7.52 4.96 0.00 3.36 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 39 I 8.92 4.38 2.13 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.70 0.00 0.00 40 P 0.00 4.91 0.00 2.09 1.98 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.90 4.99 0.00 3.10 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 42 L 8.76 5.33 0.00 1.85 1.62 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.19 5.64 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 44 F 9.12 5.57 0.00 3.06 3.02 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 0.00 0.00 0.00 45 A 8.22 4.48 -0.22 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 0.00 0.00 0.00 46 E 8.61 4.27 0.00 2.17 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 2.29 2.28 0.00 47 A 8.83 4.28 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 48 D 8.19 4.50 0.00 2.70 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 49 K 7.92 4.62 0.00 1.52 1.70 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.68 3.93 0.55 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 0.00 0.00 51 Y 7.46 4.73 0.00 2.93 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 52 V 8.41 3.80 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 0.57 0.00 0.00 0.77 0.00 0.00 53 S 9.04 4.75 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.56 5.25 0.00 2.77 2.85 0.00 0.00 6.58 7.66 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 55 E 8.30 3.98 0.00 2.15 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 0.00 2.39 2.37 0.00 56 S 8.86 4.00 0.00 3.99 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 57 A 7.65 2.58 1.17 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 0.00 0.00 58 I 6.91 3.57 1.78 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 1.47 0.81 0.86 0.00 0.00 59 R 7.49 4.27 0.00 1.83 1.99 0.00 3.18 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 60 F 7.18 5.13 0.00 3.02 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 61 G 8.27 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.44 4.63 0.00 3.86 3.86 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 63 V 7.30 4.44 1.83 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 0.66 0.00 0.00 0.49 0.00 0.00 64 S 8.21 4.51 0.00 4.15 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 0.00 65 C 8.09 3.98 0.00 2.96 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 66 L 8.45 3.60 0.00 1.78 1.77 0.94 0.99 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 67 Y 7.74 4.35 0.00 2.93 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 68 Y 7.21 4.88 0.00 2.80 2.82 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 0.00 0.00 0.00 69 D 8.83 4.49 0.00 2.79 2.66 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 70 N 8.91 4.75 0.00 3.07 3.26 0.00 0.00 6.99 7.66 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 71 R 7.98 3.93 0.00 1.53 1.69 0.00 3.09 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 72 Y 7.68 4.36 0.00 3.04 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 73 W 8.65 5.09 0.00 3.08 3.15 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 74 T 8.15 4.27 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 0.91 0.00 0.00 75 M 8.53 4.50 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 76 W 9.51 4.86 0.00 3.66 3.29 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 77 K 8.55 3.41 0.00 1.64 0.74 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.86 0.21 7.81 78 L 8.26 4.92 0.00 1.59 1.57 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.31 0.00 0.58 1.82 0.00 3.63 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 1.95 2.13 0.00 80 M 8.75 4.30 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 81 F 7.26 4.51 0.00 3.10 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 82 G 9.14 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 83 C 7.95 4.23 0.00 3.06 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 84 R 8.64 4.56 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 85 D 7.80 4.81 0.00 2.64 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 86 P 0.00 4.32 0.00 2.22 2.12 0.00 3.67 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 2.13 2.20 0.00 87 M 8.26 4.11 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 7.92 3.96 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.77 3.60 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 1.04 0.00 0.00 1.02 0.00 0.00 90 L 8.06 4.02 0.00 1.91 1.71 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.35 3.98 0.00 2.03 2.01 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.33 4.10 0.00 2.24 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 2.59 2.67 0.00 93 I 7.88 3.52 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 0.84 0.00 0.00 94 V 7.64 3.46 2.20 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 0.97 0.00 0.00 0.90 0.00 0.00 95 A 8.05 3.94 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 96 C 7.68 2.00 0.00 1.23 2.38 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 97 T 7.46 3.70 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 1.13 0.00 0.00 98 K 7.72 3.81 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.57 3.98 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 0.00 100 F 7.75 4.70 0.00 2.90 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 0.00 101 P 0.00 4.45 0.00 2.12 2.10 0.00 3.24 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.05 4.64 0.00 2.68 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 0.00 103 A 7.40 4.63 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 0.00 104 Y 8.55 4.20 0.00 2.51 2.67 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 0.00 105 V 8.92 5.25 2.04 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 1.01 0.00 0.00 0.86 0.00 0.00 106 R 9.46 5.00 0.00 1.83 1.93 0.00 2.36 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 107 L 8.01 4.78 0.00 1.52 0.80 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.67 4.87 1.65 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 0.47 0.00 0.00 0.45 0.00 0.00 109 A 8.10 4.90 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 0.00 110 F 9.00 5.20 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.83 5.39 0.00 2.38 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 0.00 112 N 9.16 4.73 0.00 2.93 3.05 0.00 0.00 6.31 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 0.00 113 Q 8.42 4.18 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.14 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 114 K 8.60 4.04 0.00 1.74 1.87 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.41 7.81 115 Q 8.03 3.42 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.87 4.48 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 0.47 0.00 0.00 0.91 0.00 0.00 117 Q 8.81 4.28 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 118 I 8.08 4.25 1.24 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.40 -0.62 0.00 0.00 119 M 6.63 4.56 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 120 G 8.24 4.96 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 0.00 0.00 0.00 121 F 7.08 5.01 0.00 3.22 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 0.00 122 L 8.84 4.50 0.00 1.56 1.59 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.86 4.48 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 0.64 0.00 0.00 0.89 0.00 0.00 124 Q 7.80 4.57 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 125 R 8.11 4.33 0.00 1.15 1.47 0.00 2.21 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.22 0.00 126 P 0.00 4.14 0.00 2.10 2.16 0.00 2.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 127 K 8.46 4.16 0.00 1.90 1.99 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 S 7.94 4.31 0.00 4.03 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 0.00 129 A 7.84 4.33 1.53 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 0.00 0.00 130 R 8.72 4.72 0.00 1.85 1.96 0.00 3.24 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 131 D 8.66 4.95 0.00 2.97 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 0.00 132 W 7.75 5.59 0.00 3.64 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 0.00 133 Q 8.42 4.31 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 134 P 0.00 4.48 0.00 2.30 2.08 0.00 3.38 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.90 3.97 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 0.00 136 N 8.05 4.73 0.00 2.83 2.93 0.00 0.00 5.83 7.13 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 0.00 137 K 7.72 4.43 0.00 1.68 1.68 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.56 3.56 0.00 1.55 0.66 0.00 3.09 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 139 S 7.43 5.03 0.00 4.01 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 0.00 140 V 8.52 3.99 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 0.60 0.00 0.00 0.96 0.00 0.00