NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 D 4.5244 8.3649 119.5341 52.4237 42.4210 175.8147 56 C 4.7024 7.1452 116.6621 56.7650 31.4256 172.1867 57 S 4.2117 8.0820 115.9421 58.4543 63.6639 173.6611 58 P 4.2900 0.0000 0.0000 64.9368 31.2346 177.0928 59 G 4.1617 8.0439 107.2423 45.3866 0.0000 172.3166 60 I 5.0046 7.6049 121.9422 59.8344 38.8649 175.0338 61 W 5.4575 9.3874 125.5007 54.9550 33.8179 173.8147 62 Q 5.3161 9.3577 123.0831 54.4215 31.5487 174.1113 63 L 5.3180 9.2078 127.8936 53.7890 44.9519 174.9315 64 D 4.8469 9.0487 124.7349 53.1323 46.1525 173.7124 65 C 5.1494 8.5052 116.8740 58.4820 30.5176 173.7879 66 T 4.7366 8.9697 119.2659 62.0622 71.8593 172.6983 67 H 5.3390 8.5364 119.6356 54.2076 32.1110 173.3927 68 L 4.3958 9.2811 122.9053 55.4188 45.5206 174.9482 69 E 3.9777 9.9405 124.5626 57.4882 27.2787 175.3118 70 G 4.3305 8.4180 110.1209 45.8596 0.0000 174.5307 71 K 4.3567 7.6481 118.1207 56.0558 33.9312 176.2034 72 V 4.6729 8.3506 120.7715 61.2462 34.4771 174.2803 73 I 4.8491 8.6962 128.1215 59.3711 39.9097 174.3498 74 L 4.3886 9.1448 130.8277 54.2970 43.4636 175.5169 75 V 4.8967 8.7764 125.9860 60.9977 34.6397 173.6924 76 A 5.4928 9.3988 130.0566 50.2140 21.8467 174.9745 77 V 4.7357 9.1609 122.6783 61.3146 34.7884 174.2807 78 H 3.4773 9.2739 128.8319 55.0811 29.0609 175.7721 79 V 3.5607 7.5833 118.9997 64.4436 31.2701 178.0600 80 A 4.1421 7.5619 120.1507 53.4659 18.5533 177.7931 81 S 4.4685 7.8274 107.7966 57.0356 64.8572 175.3828 82 G 3.9224 8.3940 108.8016 44.8284 0.0000 172.8217 83 Y 4.3566 7.6574 122.5978 57.8880 39.5986 174.9400 84 I 4.9076 8.2719 127.1650 59.6013 40.4050 174.8176 85 E 4.7300 9.1417 124.8209 54.8856 32.9777 173.9797 86 A 5.4732 8.7367 127.0387 50.6908 23.2213 174.3537 87 E 4.7599 9.0111 118.6425 55.1202 33.7031 173.9175 88 V 4.7137 8.5057 126.8515 61.7068 32.9328 174.7933 89 I 4.8252 8.9617 121.0207 58.3408 40.9068 174.8484 90 P 4.1727 0.0000 0.0000 65.5399 31.2888 176.3960 91 A 4.5196 7.3355 118.3530 50.1461 21.6946 175.9973 92 E 4.1623 8.6833 120.1915 56.6882 28.5748 177.1395 93 T 4.8590 8.0299 114.0534 58.9404 73.3426 174.8535 94 G 3.7516 8.6781 108.9888 48.0194 0.0000 175.9860 95 Q 4.0488 8.0915 119.7397 59.1809 28.8555 178.7522 96 E 4.1531 8.1320 118.9854 59.6783 29.4262 179.6261 97 T 4.0174 8.2160 115.7248 66.4849 68.5343 176.6578 98 A 4.0406 8.6498 123.1781 55.3152 18.5581 179.0152 99 Y 4.0928 8.2486 118.0361 60.8554 38.9172 178.0846 100 F 3.8617 8.4773 121.5223 61.2592 39.4504 176.9789 101 L 4.0282 8.3118 118.7264 57.7250 41.4953 179.3043 102 L 3.9107 7.8131 120.1636 58.0900 41.7364 179.2279 103 K 3.7155 7.4538 117.9382 59.2127 31.8869 179.1317 104 L 3.5779 7.5719 120.3703 57.9674 41.7125 178.9222 105 A 4.0405 7.9383 120.1830 54.7882 18.4203 179.1931 106 G 3.6600 7.7800 101.7577 45.9527 0.0000 174.3285 107 R 3.9420 6.9604 119.9611 56.7671 31.0627 175.8276 108 W 5.0906 7.6334 114.6233 54.1841 32.5741 174.4895 109 P 4.5555 0.0000 0.0000 61.7369 29.1248 174.3565 110 V 4.1188 7.8823 119.6203 62.3641 32.2676 175.1137 111 K 4.6148 9.1686 127.0949 57.9065 34.0054 176.7502 112 T 5.8996 7.8498 108.5603 58.8723 72.6132 172.8847 113 V 5.2982 8.5115 115.8595 60.0738 35.6071 173.9993 114 H 5.4048 9.6499 124.2309 54.8507 33.3002 171.9986 115 T 4.8330 7.5644 115.5247 60.9015 70.6759 172.9762 116 D 4.5576 8.9913 122.5703 54.0382 41.3491 177.1144 117 N 4.6662 7.5377 117.6744 51.2746 39.9040 174.4414 118 G 3.6171 8.5558 115.2364 48.2260 0.0000 173.6256 119 S 4.1747 7.9784 113.7251 60.5053 63.0837 176.0087 120 N 4.2729 7.8807 118.6011 55.5695 38.2223 175.6674 121 F 5.3084 8.0078 115.7815 57.5491 39.4186 176.3824 122 T 4.3430 7.6786 112.0492 62.7337 69.6063 176.0438 123 S 4.3740 7.9167 118.3590 58.4854 65.0361 175.1239 124 T 3.9861 8.4454 114.0144 65.0106 68.7311 176.9971 125 T 3.8655 7.8883 118.4040 66.5094 68.4845 176.4482 126 V 3.5930 7.7019 119.4688 66.1507 31.5877 178.0042 127 K 3.9238 8.1879 117.9801 59.6603 31.8634 179.1445 128 A 4.1505 8.5539 121.0747 55.0573 18.3348 179.6015 129 A 4.0894 8.0136 119.1280 55.6065 18.4322 179.6781 130 C 4.1295 8.5395 115.7091 62.5459 28.0451 176.0790 131 W 4.1633 8.6622 130.2380 60.2754 30.1412 177.7091 132 W 3.0576 8.2972 126.4749 60.1560 30.3377 177.2961 133 A 4.0457 8.1782 117.5780 51.9051 18.4820 176.8946 134 G 3.5725 7.4536 105.0268 46.7047 0.0000 173.7753 135 I 4.6765 7.9441 119.2329 59.2022 39.6341 176.4084 136 K 4.7104 9.0825 125.2217 54.5947 35.7020 175.3675 137 Q 4.5707 8.8032 125.4615 56.2854 31.0044 175.3851 138 E 3.7517 9.4993 117.5600 57.7029 26.5210 173.4817 139 F 4.3497 8.9850 117.3381 57.9596 37.2442 177.2160 140 G 3.7122 7.9655 104.3397 47.4067 0.0000 174.5376 *154 M 4.3954 7.9540 117.7942 54.7222 33.7139 176.9874 155 N 4.2197 8.4866 119.6204 56.6177 38.5795 177.0395 156 K 3.9564 7.9711 119.2953 59.9189 32.7973 178.6619 157 E 3.9023 8.0988 120.3473 58.7448 29.6161 178.1961 158 L 3.9345 8.2576 120.7661 58.2269 42.1623 178.8513 159 K 3.9408 8.3130 119.6331 59.2002 31.9536 178.7354 160 K 3.9290 8.0499 119.9288 59.6207 32.1557 178.7958 161 I 3.8813 8.0643 120.4426 64.4914 36.9294 178.3811 162 I 3.8025 8.2321 121.0433 64.4872 36.7720 178.5712 163 G 3.6940 7.9251 104.9423 48.0537 0.0000 175.3842 164 Q 4.1618 8.0718 119.5153 58.6356 29.1473 178.5737 165 V 3.9713 8.1745 112.2538 62.5161 30.5723 178.2297 166 R 3.9722 8.2929 118.9353 59.0737 29.5730 178.3521 167 D 4.3111 7.9115 117.1041 57.2909 41.5050 177.1523 168 Q 3.9887 7.7873 118.0108 58.2822 29.2604 176.0107 169 A 4.3777 7.2977 123.5165 51.7335 19.4348 177.8870 170 E 4.1647 8.6779 118.2594 57.8557 30.5305 174.2130 171 H 5.0104 7.6202 112.8409 53.6594 34.2788 173.8376 172 L 3.9389 8.5534 123.8238 58.3639 41.9519 178.9970 173 K 3.8630 8.2190 117.9464 60.1611 31.9152 178.9539 174 T 3.8601 7.9607 114.6009 66.6780 68.3953 176.3226 175 A 3.9900 7.9903 122.6377 55.1851 18.2854 179.8686 176 V 3.5489 8.2571 117.0526 66.4161 31.6675 178.4141 177 Q 4.0817 8.2371 117.5855 58.9432 28.3954 178.5923 178 M 4.0852 8.4010 120.3268 58.1943 31.9395 178.5653 179 A 4.0434 8.4270 121.4097 55.0250 18.4649 179.9051 180 V 3.5477 8.1647 117.0594 65.9761 31.6562 177.8960 181 F 4.0807 8.2964 120.3797 61.4636 39.2991 176.9004 182 I 3.8767 8.3347 119.5041 64.8547 36.7823 177.8111 183 H 4.0871 8.3743 117.6366 59.5883 30.0686 176.8715 184 N 4.5169 8.6831 118.2735 55.6515 38.1027 177.1333 185 K 4.2720 7.7608 118.6940 56.7479 32.5705 176.5244 186 K 4.0028 7.6330 118.2412 56.6973 32.3153 177.3342 187 R 4.2664 8.6183 127.5003 56.3689 31.2223 177.6897 188 K 4.0677 9.1019 127.7152 54.5850 32.4373 174.5052 189 G 3.8284 8.9813 116.3949 45.5944 0.0000 172.2007 190 G 3.9261 7.7039 118.4663 46.3564 0.0000 171.0746 191 I 3.7923 8.5892 120.3801 60.6383 35.9722 172.4812 192 G 3.8198 8.8213 115.2607 45.3039 0.0000 174.6663 193 G 4.5787 8.1457 106.9806 46.7391 0.0000 173.1439 194 Y 5.2376 8.1248 123.3410 57.0218 41.6091 174.6012 195 S 5.0956 8.6782 115.0253 56.8930 65.4605 175.2570 196 A 4.2786 8.7633 122.7447 55.5083 18.1558 180.3361 197 G 3.6701 8.2789 104.1276 48.0028 0.0000 175.8971 198 E 4.0068 7.8537 121.0592 59.0898 29.4908 179.4318 199 R 4.0268 8.4231 118.5789 59.3798 30.1179 178.8713 200 I 3.3750 7.7596 118.2421 63.9439 37.8550 178.0253 201 V 3.6385 7.2677 117.7129 65.9811 31.3567 177.4076 202 D 4.2943 8.2676 117.6660 57.5040 40.9473 177.8936 203 I 3.6553 7.9030 119.2870 64.9075 37.2650 178.1560 204 I 3.9584 7.8011 118.6736 64.0154 37.2030 177.8940 205 A 4.2208 8.4636 122.2409 55.2326 17.6984 179.1219 206 T 4.3832 8.0545 113.9201 64.3763 68.7983 174.6337 207 D 4.3262 8.3343 120.0799 55.9264 39.4776 176.7431 208 I 3.8545 7.5777 118.8087 63.7290 35.7906 179.6438 209 Q 4.3118 7.9667 122.6357 54.9728 27.9884 177.8743 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 55 D 8.36 4.52 0.00 2.71 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 56 C 7.15 4.70 0.00 2.69 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 57 S 8.08 4.21 0.00 3.85 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 58 P 0.00 4.29 0.00 2.20 2.18 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 59 G 8.04 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 0.00 0.00 0.00 0.00 60 I 7.60 5.00 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.95 0.00 0.00 61 W 9.39 5.46 0.00 3.39 3.26 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 62 Q 9.36 5.32 0.00 2.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 63 L 9.21 5.32 0.00 1.86 1.79 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 D 9.05 4.85 0.00 2.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 5.15 0.00 2.81 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 66 T 8.97 4.74 4.21 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 1.20 0.00 0.00 67 H 8.54 5.34 0.00 2.98 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 9.28 4.40 0.00 1.67 1.45 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.94 3.98 0.00 2.10 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 2.24 2.29 0.00 70 G 8.42 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.65 4.36 0.00 1.90 1.77 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.55 7.81 72 V 8.35 4.67 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 0.73 0.00 0.00 0.91 0.00 0.00 73 I 8.70 4.85 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.90 0.00 0.00 74 L 9.14 4.39 0.00 1.55 1.18 0.75 0.66 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 75 V 8.78 4.90 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 0.91 0.00 0.00 0.95 0.00 0.00 76 A 9.40 5.49 1.74 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 0.00 0.00 77 V 9.16 4.74 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 1.00 0.00 0.00 0.99 0.00 0.00 78 H 9.27 3.48 0.00 1.63 2.71 0.00 5.68 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.58 3.56 1.86 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 0.84 0.00 0.00 0.64 0.00 0.00 80 A 7.56 4.14 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 81 S 7.83 4.47 0.00 3.93 3.88 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 0.00 0.00 0.00 82 G 8.39 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 83 Y 7.66 4.36 0.00 3.09 2.60 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 0.00 0.00 0.00 0.00 84 I 8.27 4.91 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.75 0.85 0.00 0.00 85 E 9.14 4.73 0.00 2.24 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 0.00 2.34 2.48 0.00 86 A 8.74 5.47 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 87 E 9.01 4.76 0.00 2.51 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 2.45 2.45 0.00 88 V 8.51 4.71 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 0.91 0.00 0.00 0.96 0.00 0.00 89 I 8.96 4.83 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.98 0.00 0.00 90 P 0.00 4.17 0.00 2.20 2.23 0.00 3.81 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 1.99 1.97 0.00 91 A 7.34 4.52 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 92 E 8.68 4.16 0.00 1.98 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 2.27 2.30 0.00 93 T 8.03 4.86 4.42 0.00 0.00 0.00 0.00 0.00 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 94 G 8.68 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.09 4.05 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 96 E 8.13 4.15 0.00 2.21 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 2.36 2.52 0.00 97 T 8.22 4.02 4.50 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 1.48 0.00 0.00 98 A 8.65 4.04 1.50 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 0.00 0.00 99 Y 8.25 4.09 0.00 3.16 3.22 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 0.00 100 F 8.48 3.86 0.00 3.32 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 0.00 101 L 8.31 4.03 0.00 1.94 1.69 0.74 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.81 3.91 0.00 1.89 1.55 1.03 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.45 3.72 0.00 1.49 1.47 0.00 0.61 0.00 0.00 0.90 0.00 0.00 2.60 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.05 0.86 7.81 104 L 7.57 3.58 0.00 1.46 1.57 0.54 0.31 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 0.00 105 A 7.94 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.78 3.66 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 0.00 0.00 0.00 107 R 6.96 3.94 0.00 1.57 1.68 0.00 3.21 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 108 W 7.63 5.09 0.00 3.30 3.24 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 0.00 109 P 0.00 4.56 0.00 2.17 2.09 0.00 4.00 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 110 V 7.88 4.12 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 0.76 0.00 0.00 0.62 0.00 0.00 111 K 9.17 4.61 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.43 7.81 112 T 7.85 5.90 4.40 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 1.32 0.00 0.00 113 V 8.51 5.30 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 0.89 0.00 0.00 0.80 0.00 0.00 114 H 9.65 5.40 0.00 3.05 2.78 0.00 5.54 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.56 4.83 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 0.73 0.00 0.00 116 D 8.99 4.56 0.00 2.76 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 0.00 117 N 7.54 4.67 0.00 2.62 2.47 0.00 0.00 7.03 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.56 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.98 4.17 0.00 3.99 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.88 4.27 0.00 2.19 2.43 0.00 0.00 6.80 7.34 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 0.00 121 F 8.01 5.31 0.00 3.09 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 0.00 122 T 7.68 4.34 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 123 S 7.92 4.37 0.00 4.11 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 0.00 124 T 8.45 3.99 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 0.00 125 T 7.89 3.87 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 1.25 0.00 0.00 126 V 7.70 3.59 2.31 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 1.07 0.00 0.00 1.13 0.00 0.00 127 K 8.19 3.92 0.00 2.04 1.92 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.74 7.81 128 A 8.55 4.15 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 0.00 129 A 8.01 4.09 1.45 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 0.00 0.00 130 C 8.54 4.13 0.00 3.15 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 0.00 131 W 8.66 4.16 0.00 3.46 3.56 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 0.00 132 W 8.30 3.06 0.00 3.55 3.28 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 0.00 0.00 0.00 0.00 133 A 8.18 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.45 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 0.00 135 I 7.94 4.68 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 1.36 0.66 0.96 0.00 0.00 136 K 9.08 4.71 0.00 1.65 1.74 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.52 7.81 137 Q 8.80 4.57 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.51 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 138 E 9.50 3.75 0.00 2.08 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 2.15 2.13 0.00 139 F 8.98 4.35 0.00 2.94 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 0.00 140 G 7.97 3.71 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 0.00 0.00 0.00 *154 M 7.95 4.40 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 155 N 8.49 4.22 0.00 2.80 2.90 0.00 0.00 6.79 8.13 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 0.00 156 K 7.97 3.96 0.00 1.98 2.07 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.50 7.81 157 E 8.10 3.90 0.00 2.12 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 0.00 2.45 2.49 0.00 158 L 8.26 3.93 0.00 1.84 1.79 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.31 3.94 0.00 2.03 2.01 0.00 1.58 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.50 7.81 160 K 8.05 3.93 0.00 2.01 2.00 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 I 8.06 3.88 2.03 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 1.56 0.88 0.96 0.00 0.00 162 I 8.23 3.80 2.05 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 1.48 1.01 0.93 0.00 0.00 163 G 7.93 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 0.00 164 Q 8.07 4.16 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 165 V 8.17 3.97 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 0.95 0.00 0.00 1.05 0.00 0.00 166 R 8.29 3.97 0.00 2.01 2.01 0.00 3.36 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 167 D 7.91 4.31 0.00 2.61 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 0.00 168 Q 7.79 3.99 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 169 A 7.30 4.38 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 0.00 170 E 8.68 4.16 0.00 2.00 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 2.23 1.90 0.00 171 H 7.62 5.01 0.00 3.18 3.17 0.00 5.79 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 0.00 172 L 8.55 3.94 0.00 1.92 1.69 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.22 3.86 0.00 1.86 1.90 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.59 7.81 174 T 7.96 3.86 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 1.22 0.00 0.00 175 A 7.99 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.26 3.55 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 1.13 0.00 0.00 1.03 0.00 0.00 177 Q 8.24 4.08 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 178 M 8.40 4.09 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.47 0.00 179 A 8.43 4.04 1.41 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 0.00 0.00 0.00 180 V 8.16 3.55 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 1.07 0.00 0.00 1.00 0.00 0.00 181 F 8.30 4.08 0.00 3.29 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 0.00 182 I 8.33 3.88 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.11 0.98 0.00 0.00 183 H 8.37 4.09 0.00 3.20 3.53 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 0.00 184 N 8.68 4.52 0.00 2.81 2.92 0.00 0.00 7.05 7.01 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 0.00 185 K 7.76 4.27 0.00 1.61 1.71 0.00 1.25 0.00 0.00 0.67 0.00 0.00 2.89 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.80 1.23 7.81 186 K 7.63 4.00 0.00 1.61 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.61 7.81 187 R 8.62 4.27 0.00 1.70 1.89 0.00 3.20 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 188 K 9.10 4.07 0.00 1.45 1.74 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.27 7.81 189 G 8.98 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 0.00 190 G 7.70 3.93 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 0.00 0.00 0.00 191 I 8.59 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.91 0.00 0.00 192 G 8.82 3.82 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 0.00 0.00 0.00 193 G 8.15 4.58 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 0.00 194 Y 8.12 5.24 0.00 2.85 2.85 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 0.00 195 S 8.68 5.10 0.00 4.08 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 0.00 196 A 8.76 4.28 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 0.00 197 G 8.28 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 7.85 4.01 0.00 1.93 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 2.07 2.17 0.00 199 R 8.42 4.03 0.00 1.99 1.99 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 200 I 7.76 3.37 1.38 0.00 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.64 0.39 0.00 0.00 201 V 7.27 3.64 2.23 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 0.96 0.00 0.00 1.11 0.00 0.00 202 D 8.27 4.29 0.00 2.98 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 0.00 203 I 7.90 3.66 2.00 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 1.49 0.80 0.89 0.00 0.00 204 I 7.80 3.96 2.03 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 1.50 0.49 1.05 0.00 0.00 205 A 8.46 4.22 1.41 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 0.00 0.00 0.00 206 T 8.05 4.38 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 0.00 207 D 8.33 4.33 0.00 2.73 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 0.00 208 I 7.58 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 0.91 0.00 0.00 209 Q 7.97 4.31 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.62 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.