NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1348 8.1633 120.2812 54.5949 32.6199 173.9574 2 K 3.8725 8.5410 126.7225 56.7020 32.5462 175.6874 3 G 3.9210 8.6684 114.2069 44.7778 0.0000 171.3298 4 D 4.5499 8.4314 119.4382 53.8306 42.0514 176.9971 5 K 3.9211 8.9521 126.6202 59.9296 32.2737 179.0994 6 I 3.8501 7.8782 119.4431 63.9061 36.9621 178.4378 7 V 3.7059 8.2848 119.4279 66.0836 31.3223 178.0464 8 I 3.7068 7.8302 119.4871 64.5361 36.9462 178.3497 9 Q 3.9425 7.9316 118.5515 59.2922 28.5560 178.6734 10 H 4.0777 8.2599 117.1409 58.9424 28.7087 177.8573 11 L 4.0468 8.3254 121.0729 57.9842 41.4226 179.4289 12 N 4.3435 8.5822 116.7368 55.8025 38.3789 177.5376 13 K 3.9134 7.9723 121.3674 59.5984 32.3248 178.9971 14 I 3.7202 7.8369 120.1239 64.2196 37.0090 178.1222 15 L 4.0394 8.2510 121.5296 58.0405 41.7561 179.2039 16 G 3.6503 8.1528 105.6751 47.9980 0.0000 175.3672 17 N 4.3508 8.1158 119.0689 56.0123 38.4905 177.3296 18 E 3.9519 8.3547 120.0143 59.4756 29.5381 179.4499 19 L 3.9721 8.0178 118.9221 57.6298 41.5244 179.6800 20 I 3.5809 7.5061 119.6565 64.3520 37.0520 178.2177 21 A 3.2418 7.7182 121.4857 54.8722 18.0866 179.4795 22 I 3.5544 7.8462 118.5503 64.8258 37.2667 178.4263 23 N 4.3622 7.8430 116.5183 56.2373 38.3970 177.3408 24 Q 3.8905 8.1938 121.2485 59.5879 29.1599 178.0786 25 Y 4.7930 8.1232 119.4743 60.4389 37.8678 178.1730 26 F 3.9033 8.5075 121.8697 61.0439 39.5649 177.0078 27 L 3.9935 8.1911 120.0149 58.5329 41.8494 178.6150 28 H 3.9679 8.3005 115.9058 58.6345 28.5975 177.5401 29 A 4.1150 8.3438 122.9157 55.5148 18.2376 180.0542 30 R 3.7943 7.7869 116.1756 59.2144 29.9885 179.3294 31 M 3.4809 7.6671 118.8970 58.1246 31.7265 178.2207 32 Y 4.4697 7.6278 116.9626 61.3018 38.0297 178.6089 33 E 3.9858 8.1942 119.4353 59.5296 29.3491 178.9064 34 D 4.2981 7.9023 116.9335 56.8517 41.3092 177.5097 35 W 4.8964 7.8823 116.8274 56.4595 29.0465 176.8119 36 G 3.9228 8.4156 108.0507 46.3994 0.0000 174.4574 37 L 4.9211 8.1092 120.1790 52.6155 40.8419 176.8581 38 E 3.9401 8.2160 122.8787 59.5912 29.9708 179.1859 39 K 3.9235 7.9813 119.1957 59.4728 32.1859 178.6174 40 L 4.0488 7.8362 120.2847 57.9193 41.9733 178.8981 41 G 3.7328 8.3449 106.0113 47.7671 0.0000 175.5955 42 K 3.9740 8.4911 122.7150 59.4150 32.2957 178.4647 43 H 3.9402 8.2085 118.5659 59.1410 29.5573 176.8857 44 E 3.8810 8.5335 121.5084 59.1964 29.4766 178.1142 45 Y 4.0155 8.1740 119.6860 61.2060 38.9508 178.0070 46 H 3.9582 8.1576 116.8479 58.4900 28.6898 177.4754 47 E 3.8171 7.9322 121.3560 58.9067 29.3905 178.6705 48 S 4.2537 7.9667 113.4187 61.5838 62.4904 176.3159 49 I 3.6613 7.5599 122.4203 64.3313 36.7303 178.2096 50 D 4.2981 7.9931 119.8988 57.2353 40.5941 178.6083 51 E 3.9744 8.2441 119.2004 59.3437 29.4349 179.2162 52 M 4.0553 7.8560 119.0243 58.3006 31.9822 178.9233 53 K 4.0527 7.9901 118.6854 59.4790 32.1752 179.2840 54 H 4.2639 8.1269 116.5508 58.7697 28.5787 177.5094 55 A 4.0035 8.1137 122.6144 55.1701 18.1478 179.0348 56 D 4.2553 8.1283 116.3359 57.6545 41.3546 178.7009 57 K 3.9702 8.0501 118.8204 59.4111 31.9301 179.4141 58 L 4.0099 8.0504 119.1777 57.8234 41.5888 179.4413 59 I 3.7082 7.9698 119.9304 64.5003 37.0529 178.6531 60 K 4.0186 8.2344 119.2234 59.4343 31.8698 179.4739 61 R 4.0308 8.1546 119.0137 59.4593 29.9492 178.5957 62 I 3.7448 8.1724 120.0402 64.3376 37.0488 178.4225 63 L 3.9786 8.1044 119.7751 57.7927 41.2737 179.1625 64 F 4.3403 8.1713 119.2957 61.4166 39.5082 176.4597 65 L 4.5904 7.9193 117.0095 53.7112 41.2541 176.7999 66 E 3.8607 8.3219 117.9575 57.6894 27.1488 174.2257 67 G 4.0105 8.1864 106.6876 43.7736 0.0000 173.4918 68 L 4.5286 8.0123 118.8983 51.9448 42.2327 175.2428 69 P 4.3338 0.0000 0.0000 62.5642 31.7352 176.0409 70 N 4.6771 9.1593 122.4994 52.4461 38.4092 173.9076 71 L 4.5978 8.2486 123.8690 54.4753 42.4079 177.5406 72 Q 4.0567 8.3554 121.9827 58.0051 29.2959 175.8215 73 E 4.2789 8.1986 117.6807 55.0130 29.8897 175.0383 74 L 4.4800 8.3246 126.4931 52.8844 43.4004 176.4418 75 G 3.8466 8.3662 115.3076 44.2873 0.0000 172.3385 76 K 4.0287 8.3229 120.7327 56.1579 32.4365 176.1797 77 L 4.3118 8.3685 126.4975 54.2310 42.5071 177.1306 78 L 4.4847 9.0314 124.1336 53.2748 40.7590 174.5828 79 I 4.2225 7.9679 122.9602 59.7918 38.0587 176.6813 80 G 4.0362 8.8133 114.8179 44.9138 0.0000 172.5159 81 E 4.8520 9.1194 116.9226 56.0382 31.6071 176.6632 82 H 4.9054 7.8628 113.5867 53.2686 32.6340 173.8817 83 T 4.2755 8.6685 118.8600 67.2415 68.3875 175.9849 84 K 3.8146 8.2751 120.4831 59.8928 32.1599 178.2974 85 E 4.2204 7.8988 120.0658 58.9546 29.5316 178.5120 86 M 4.0472 8.2893 119.1145 58.2278 31.9564 178.6894 87 L 4.1264 8.3096 119.3890 57.8837 41.2533 179.4596 88 E 3.9950 8.2966 118.5926 59.5362 29.3636 179.1885 89 C 4.2542 8.5515 117.2293 62.9826 28.1480 175.9190 90 D 4.6423 8.4623 120.5919 57.2746 40.3168 178.6253 91 L 3.9504 8.2039 120.9878 58.0206 42.1092 178.8875 92 K 4.0919 8.5246 120.0836 59.3237 32.2251 178.4987 93 L 3.9720 8.2106 120.5831 58.3157 41.9030 178.6354 94 E 4.0912 8.2493 117.1664 59.8334 29.5457 179.2645 95 Q 4.1558 8.5929 118.0558 58.8805 28.5453 178.6362 96 A 4.1404 8.2044 121.1462 54.6160 18.8346 179.2426 97 G 3.7901 8.0706 102.9773 46.3028 0.0000 176.1144 98 L 4.0241 7.6058 121.7651 57.5588 41.7304 177.4226 99 P 4.2908 0.0000 0.0000 65.6965 31.2041 178.3695 100 D 4.3755 8.0401 117.0379 57.3872 40.8012 178.5650 101 L 4.0073 7.7740 118.9850 57.9576 41.6497 179.9087 102 K 3.9940 8.2734 118.0943 59.2988 31.9212 179.3809 103 A 4.0254 8.2706 121.0488 54.9119 18.1835 179.6117 104 A 3.6693 8.1902 119.4690 55.2526 18.4993 179.9232 105 I 3.6404 8.0425 118.3146 64.4406 37.1962 178.4839 106 A 4.0163 8.1680 121.6505 55.3662 18.3376 179.1292 107 Y 3.7686 8.1816 118.0317 60.9273 38.8242 177.7431 108 C 4.0957 8.4003 117.9617 62.8313 28.0859 175.7519 109 E 3.9626 8.2907 121.1136 59.2564 29.0020 179.0548 110 S 4.0684 7.6731 113.4162 60.5234 63.0616 175.8881 111 V 4.1013 6.9845 112.8586 60.1849 31.6442 176.3150 112 G 2.9109 7.0369 106.3450 46.4480 0.0000 175.5979 113 D 4.4534 7.4819 121.3584 52.8121 38.1858 176.2047 114 Y 4.3403 7.2490 121.0777 60.5236 38.4060 177.7723 115 A 4.0601 8.0349 121.5240 55.3125 18.6682 179.6476 116 S 4.1333 8.4598 113.7592 61.6414 62.7944 176.8832 117 R 3.9362 7.9701 121.0605 59.5066 29.8529 178.4145 118 E 4.1393 8.2008 118.2530 59.2853 29.5259 179.0025 119 L 3.9605 7.9044 120.2923 58.3532 42.1116 179.1371 120 L 4.0329 8.0499 118.7697 57.7871 41.4971 179.3537 121 E 4.0046 8.5656 119.0667 59.4016 29.2299 179.1131 122 D 4.5167 8.2273 118.9241 57.5491 40.9300 178.9505 123 I 3.5416 7.6607 120.1462 64.1147 37.0590 178.1921 124 L 3.9825 8.3044 121.6466 58.2324 41.7537 178.8823 125 E 4.0133 8.2344 118.5032 59.6738 29.5176 179.6151 126 S 4.2247 7.9208 115.2495 61.4683 62.8713 176.6553 127 E 4.1212 8.3458 121.5155 59.5222 29.2947 179.2134 128 E 4.1056 8.4322 118.5196 59.3018 29.4302 179.2107 129 D 4.4497 7.9230 119.4374 57.5408 40.8238 178.1828 130 H 4.4082 8.2840 118.3956 59.3824 29.8057 177.4102 131 I 3.7612 8.0430 121.7440 64.2219 36.9122 177.8484 132 D 4.3349 8.2264 118.9273 57.1049 41.1138 178.0970 133 W 4.0920 8.4278 128.7427 60.4373 30.7849 177.7479 134 L 3.8150 8.5401 119.2070 58.0404 41.1704 179.4012 135 E 3.9167 8.4514 118.6519 59.7390 29.2900 179.7097 136 T 3.7813 7.8345 115.7109 66.5819 68.4647 176.7829 137 Q 3.6195 7.5473 119.9172 58.7911 28.4715 178.9280 138 L 3.7447 7.4975 119.8208 57.7573 41.7049 179.3394 139 D 4.2822 8.0313 118.8853 57.1680 40.7048 178.7855 140 L 3.9591 8.1097 120.0119 57.7523 41.6156 179.4984 141 I 3.5470 7.4267 119.7174 64.5779 36.7933 178.2738 142 D 4.3808 7.6032 118.2813 56.7213 40.6608 178.2974 143 K 4.2689 7.6518 117.8607 57.4156 32.5170 177.9292 144 I 4.3927 7.9381 110.1865 59.1586 39.0485 175.9706 145 G 4.0755 7.8866 108.8989 46.1590 0.0000 174.4086 146 L 3.9680 8.5109 123.0990 58.0761 42.0708 179.3198 147 E 3.9733 8.1605 117.9115 59.5654 29.4611 179.0430 148 N 4.3119 8.0780 115.8834 56.3409 38.5150 176.5041 149 Y 3.9913 7.9482 119.8113 60.9495 39.1846 178.1270 150 L 4.0235 8.4735 120.1123 57.5514 41.6578 179.2027 151 Q 3.9281 8.0410 119.6458 59.4023 28.8530 178.5697 152 S 4.2312 7.9111 113.8023 60.3859 63.0850 175.4257 153 Q 4.3173 7.5578 119.9926 55.8572 28.7027 177.2445 154 M 4.2243 7.9610 120.4625 57.6356 32.3300 176.1245 155 D 4.2187 7.7125 121.3267 53.7626 39.1430 174.8167 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 8.16 4.13 0.00 1.29 1.84 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 2 K 8.54 3.87 0.00 1.70 1.74 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.44 7.81 3 G 8.67 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 0.00 0.00 0.00 4 D 8.43 4.55 0.00 2.84 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 0.00 0.00 0.00 0.00 5 K 8.95 3.92 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 I 7.88 3.85 1.96 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 1.43 0.11 -0.08 0.00 0.00 7 V 8.28 3.71 2.32 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 1.22 0.00 0.00 1.15 0.00 0.00 8 I 7.83 3.71 2.01 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 1.82 0.80 0.90 0.00 0.00 9 Q 7.93 3.94 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 10 H 8.26 4.08 0.00 3.35 3.33 0.00 5.62 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 11 L 8.33 4.05 0.00 1.83 1.74 0.96 0.59 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 12 N 8.58 4.34 0.00 2.92 2.84 0.00 0.00 6.66 7.55 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 13 K 7.97 3.91 0.00 1.93 2.00 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 7.84 3.72 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.71 0.92 0.00 0.00 15 L 8.25 4.04 0.00 1.83 1.86 0.96 1.00 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 16 G 8.15 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.12 4.35 0.00 2.93 2.88 0.00 0.00 7.07 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 18 E 8.35 3.95 0.00 2.14 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 2.58 2.53 0.00 19 L 8.02 3.97 0.00 1.80 1.67 0.90 0.43 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 20 I 7.51 3.58 1.97 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 1.42 0.89 0.89 0.00 0.00 21 A 7.72 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.85 3.55 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.86 0.00 0.00 23 N 7.84 4.36 0.00 2.75 2.84 0.00 0.00 6.76 8.66 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 24 Q 8.19 3.89 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 25 Y 8.12 4.79 0.00 3.03 2.97 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 26 F 8.51 3.90 0.00 3.39 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 27 L 8.19 3.99 0.00 1.85 1.70 0.89 0.87 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 28 H 8.30 3.97 0.00 3.56 3.14 0.00 5.70 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 29 A 8.34 4.11 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 30 R 7.79 3.79 0.00 1.71 1.87 0.00 3.13 0.00 0.00 2.98 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.79 0.00 31 M 7.67 3.48 0.00 0.82 1.58 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.18 0.00 32 Y 7.63 4.47 0.00 3.22 3.17 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 33 E 8.19 3.99 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 34 D 7.90 4.30 0.00 2.59 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 35 W 7.88 4.90 0.00 3.72 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 36 G 8.42 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 0.00 0.00 0.00 37 L 8.11 4.92 0.00 2.03 1.65 1.26 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.22 3.94 0.00 1.97 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 2.69 2.29 0.00 39 K 7.98 3.92 0.00 2.02 1.96 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.47 7.81 40 L 7.84 4.05 0.00 1.55 1.24 1.05 0.71 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 41 G 8.34 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 42 K 8.49 3.97 0.00 1.88 1.99 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.53 7.81 43 H 8.21 3.94 0.00 3.15 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.53 3.88 0.00 2.47 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 0.00 2.49 2.60 0.00 45 Y 8.17 4.02 0.00 3.03 3.07 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 0.00 0.00 0.00 0.00 46 H 8.16 3.96 0.00 3.07 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.93 3.82 0.00 1.92 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 0.00 1.47 2.12 0.00 48 S 7.97 4.25 0.00 4.18 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 49 I 7.56 3.66 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.14 0.82 0.00 0.00 50 D 7.99 4.30 0.00 2.75 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 51 E 8.24 3.97 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 52 M 7.86 4.06 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 53 K 7.99 4.05 0.00 1.93 1.84 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.65 7.81 54 H 8.13 4.26 0.00 3.46 3.33 0.00 5.65 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 55 A 8.11 4.00 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 56 D 8.13 4.26 0.00 2.92 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 57 K 8.05 3.97 0.00 2.02 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.77 7.81 58 L 8.05 4.01 0.00 1.88 1.73 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.97 3.71 2.05 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 1.52 0.89 0.92 0.00 0.00 60 K 8.23 4.02 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.60 7.81 61 R 8.15 4.03 0.00 2.07 2.12 0.00 3.36 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.17 3.74 2.03 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 1.54 0.72 0.97 0.00 0.00 63 L 8.10 3.98 0.00 1.90 1.76 0.94 0.85 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 64 F 8.17 4.34 0.00 2.96 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 65 L 7.92 4.59 0.00 2.01 1.59 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.32 3.86 0.00 1.99 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 0.00 2.17 2.26 0.00 67 G 8.19 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 68 L 8.01 4.53 0.00 1.61 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.33 0.00 2.03 1.99 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.16 4.68 0.00 2.63 2.73 0.00 0.00 7.10 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 71 L 8.25 4.60 0.00 1.61 1.62 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.36 4.06 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 E 8.20 4.28 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 74 L 8.32 4.48 0.00 1.56 1.53 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.37 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 76 K 8.32 4.03 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 77 L 8.37 4.31 0.00 1.64 1.56 0.92 0.98 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 78 L 9.03 4.48 0.00 1.75 1.68 1.01 0.83 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 79 I 7.97 4.22 1.90 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 1.35 0.78 0.95 0.00 0.00 80 G 8.81 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 0.00 0.00 0.00 81 E 9.12 4.85 0.00 2.11 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 2.31 2.26 0.00 82 H 7.86 4.91 0.00 3.25 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.67 4.28 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 84 K 8.28 3.81 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 85 E 7.90 4.22 0.00 1.77 1.81 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 2.36 2.24 0.00 86 M 8.29 4.05 0.00 1.81 2.31 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.24 0.00 87 L 8.31 4.13 0.00 1.84 1.69 0.79 1.03 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 88 E 8.30 4.00 0.00 2.21 2.01 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 2.32 2.42 0.00 89 C 8.55 4.25 0.00 3.23 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 90 D 8.46 4.64 0.00 3.00 2.68 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 91 L 8.20 3.95 0.00 1.85 1.85 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.52 4.09 0.00 1.93 2.00 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 93 L 8.21 3.97 0.00 2.09 1.93 0.85 0.85 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 94 E 8.25 4.09 0.00 2.25 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 0.00 2.71 2.49 0.00 95 Q 8.59 4.16 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 96 A 8.20 4.14 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 97 G 8.07 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 98 L 7.61 4.02 0.00 1.86 1.75 0.95 0.97 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 99 P 0.00 4.29 0.00 2.17 2.13 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 100 D 8.04 4.38 0.00 2.88 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 0.00 101 L 7.77 4.01 0.00 1.88 1.74 0.93 0.86 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 0.00 102 K 8.27 3.99 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 103 A 8.27 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.67 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 0.00 105 I 8.04 3.64 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.09 0.94 0.00 0.00 106 A 8.17 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.18 3.77 0.00 3.14 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 0.00 108 C 8.40 4.10 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.29 3.96 0.00 2.21 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 2.35 2.42 0.00 110 S 7.67 4.07 0.00 3.92 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 0.00 111 V 6.98 4.10 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 0.35 0.00 0.00 0.84 0.00 0.00 112 G 7.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.48 4.45 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.25 4.34 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.03 4.06 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 0.00 116 S 8.46 4.13 0.00 4.17 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 0.00 117 R 7.97 3.94 0.00 1.97 2.22 0.00 3.18 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 118 E 8.20 4.14 0.00 2.26 2.01 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 2.61 2.50 0.00 119 L 7.90 3.96 0.00 1.75 1.90 0.95 0.71 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 0.00 120 L 8.05 4.03 0.00 1.92 1.71 0.94 0.73 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 0.00 121 E 8.57 4.00 0.00 2.14 2.01 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 2.35 2.63 0.00 122 D 8.23 4.52 0.00 2.90 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 0.00 123 I 7.66 3.54 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.78 0.00 0.00 124 L 8.30 3.98 0.00 1.83 1.86 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.23 4.01 0.00 2.24 2.01 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 2.35 2.61 0.00 126 S 7.92 4.22 0.00 4.08 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 0.00 127 E 8.35 4.12 0.00 2.17 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 0.00 2.57 2.54 0.00 128 E 8.43 4.11 0.00 2.06 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 0.00 2.37 2.62 0.00 129 D 7.92 4.45 0.00 2.88 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 0.00 130 H 8.28 4.41 0.00 3.39 3.51 0.00 5.61 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 0.00 131 I 8.04 3.76 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.94 0.00 0.00 132 D 8.23 4.33 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.43 4.09 0.00 3.52 3.46 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 0.00 134 L 8.54 3.81 0.00 1.89 1.70 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.45 3.92 0.00 2.09 1.96 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 2.31 2.53 0.00 136 T 7.83 3.78 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 137 Q 7.55 3.62 0.00 1.61 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.50 3.74 0.00 1.72 1.59 0.86 0.96 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 0.00 139 D 8.03 4.28 0.00 2.75 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 0.00 140 L 8.11 3.96 0.00 1.82 1.68 0.89 0.68 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 0.00 141 I 7.43 3.55 1.76 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 0.76 0.06 0.80 0.00 0.00 142 D 7.60 4.38 0.00 2.63 2.68 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 0.00 143 K 7.65 4.27 0.00 1.73 1.84 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.60 7.81 144 I 7.94 4.39 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.74 0.93 0.00 0.00 145 G 7.89 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 0.00 146 L 8.51 3.97 0.00 1.75 1.68 0.96 0.94 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 0.00 147 E 8.16 3.97 0.00 2.05 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 2.39 2.40 0.00 148 N 8.08 4.31 0.00 3.09 2.88 0.00 0.00 6.71 7.48 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 0.00 149 Y 7.95 3.99 0.00 2.92 3.17 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 0.00 150 L 8.47 4.02 0.00 1.69 1.70 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.04 3.93 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 152 S 7.91 4.23 0.00 3.80 3.77 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 0.00 153 Q 7.56 4.32 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 1.84 2.04 0.00 154 M 7.96 4.22 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.45 0.00 155 D 7.71 4.22 0.00 2.73 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