NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5670 8.2227 120.1891 54.4414 43.5003 177.3163 3 I 3.5530 7.4542 118.3980 63.5629 38.0121 176.6362 4 I 3.7404 8.4886 121.6778 64.1509 37.3373 177.9509 5 S 4.0862 7.8676 115.8062 61.4912 62.7581 176.5894 6 V 3.5308 7.8905 120.7710 66.0655 31.0542 178.0049 7 A 4.0136 7.9650 119.4491 54.9719 18.2585 179.1632 8 L 4.1564 8.0127 116.7765 56.8222 41.9384 178.7223 9 K 4.2785 7.9912 116.8631 56.2971 32.9801 177.2221 10 R 4.0708 7.2528 119.3109 56.9340 30.5689 174.9222 11 H 4.6396 7.9506 116.2382 54.6185 30.8123 173.9514 12 S 4.4171 8.4060 117.2059 57.8399 61.9067 174.4923 13 T 3.9223 7.8808 122.6190 63.1408 68.4147 175.0945 14 K 4.1722 8.3472 124.2464 56.5435 33.2367 176.7073 15 A 4.4949 7.1162 120.7840 51.2020 21.9638 175.2718 16 F 4.9368 8.8537 121.6604 55.6860 41.4386 175.3355 17 D 4.5894 8.9612 123.5052 52.9337 40.5824 177.1242 18 A 4.5272 8.9810 130.5053 54.1321 18.4298 178.0165 19 S 4.3881 8.8834 108.9766 58.8441 63.7564 174.2502 20 K 4.3724 7.9648 121.8814 55.1392 32.3394 176.0506 21 K 4.7083 8.3035 122.6564 54.0525 35.0975 175.9285 22 L 4.4303 8.1442 120.7414 54.6424 42.3797 178.2713 23 T 4.2292 9.2623 113.1957 60.7092 71.0227 174.0176 24 P 4.2202 0.0000 0.0000 66.1841 30.8630 178.3640 25 E 3.8417 8.0513 118.4080 59.3575 29.7407 178.4121 26 Q 3.9222 7.9553 117.7782 59.0736 28.6420 178.8600 27 A 3.8371 8.0524 121.5909 55.1604 18.4283 179.3664 28 E 3.8247 7.9393 117.3189 59.4221 29.6971 178.9809 29 Q 4.0004 8.1537 118.4909 58.8898 28.7601 178.8486 30 I 3.7632 7.9203 114.1934 63.9281 37.5832 178.5370 31 K 3.8301 7.6306 119.8795 59.4078 31.7303 179.4713 32 T 4.0139 7.7695 115.9302 66.4293 68.1348 176.4089 33 L 3.9725 7.8705 121.3011 58.1057 42.2506 178.6898 34 L 3.5303 7.7015 118.7514 57.6013 41.1868 179.3136 35 Q 3.9805 7.5908 117.6666 59.3417 29.0772 177.0942 36 Y 4.5116 7.9306 114.8820 57.2263 38.5926 175.7308 37 S 4.3535 7.2338 115.8483 57.5657 63.0773 172.1751 38 P 5.0968 0.0000 0.0000 62.6780 32.4769 175.1409 39 S 4.7011 8.0902 111.0073 56.8950 65.3479 173.9805 40 S 4.2309 9.6321 117.9422 60.1101 62.3386 174.6249 41 T 3.5595 9.4071 115.5213 62.0052 67.3455 171.0935 42 N 4.3031 8.4810 117.8611 54.7871 37.8604 175.4252 43 S 4.1670 8.2163 113.7009 59.7562 63.2163 174.5597 44 Q 2.0000 7.2603 118.2989 55.3353 27.1701 172.9960 45 P 4.2820 0.0000 0.0000 61.6301 29.8232 175.4816 46 W 5.6407 7.0886 115.3518 56.2561 32.3257 175.1582 47 H 4.4576 8.4330 118.4855 54.5396 32.9241 171.9346 48 F 5.0795 7.9037 121.8656 55.5606 42.6890 174.3196 49 I 4.1651 8.0455 122.5813 59.4642 39.7163 174.7738 50 V 4.5155 8.3162 127.4380 61.0930 32.7936 174.2051 51 A 4.6359 8.8766 131.7999 50.7248 19.8166 177.4024 52 S 4.6362 9.0207 114.8260 56.0738 64.8167 174.4920 53 T 4.5475 7.3608 112.0138 60.0613 72.1590 175.0785 54 E 3.9565 8.4934 121.6326 59.5448 29.4606 179.5083 55 E 4.0783 8.1705 117.3692 59.3499 29.6450 179.2874 56 G 3.6254 8.5495 107.2328 47.5303 0.0000 175.9284 57 K 3.9983 8.5809 121.3899 58.8963 31.7749 179.3339 58 A 4.0020 7.9210 120.4583 55.0837 18.6114 179.5639 59 R 3.9695 7.8177 116.2689 59.4050 30.1057 179.3371 60 V 3.7284 7.7050 117.7928 66.1596 31.5417 177.8496 61 A 4.0478 8.4065 120.2011 54.5511 17.8926 179.4997 62 K 4.0706 7.7665 116.6260 59.1594 32.3349 178.9140 63 S 4.4506 8.6159 114.0676 59.6102 64.5513 174.1205 64 A 4.4612 8.2408 129.2216 50.9098 17.4505 174.7303 65 A 5.3152 7.4023 125.4210 50.8025 23.9268 178.0140 66 G 3.8491 8.3064 107.2346 47.1702 0.0000 176.3396 67 N 4.4330 8.5902 121.6608 54.5893 38.4087 174.6340 68 Y 4.9399 8.1664 116.2737 57.3591 38.9099 177.6089 69 V 4.4025 7.5521 120.0809 64.0032 31.2337 177.8494 70 F 4.5925 8.4554 120.4281 59.9038 39.0501 174.7307 71 N 4.8201 8.8177 116.9651 53.5523 39.4435 176.2725 72 E 3.8350 8.3025 120.1282 59.4427 30.0982 177.9624 73 R 4.0676 8.2665 117.3405 59.5519 30.3468 179.2055 74 K 4.1099 7.5546 112.5534 57.8262 31.8482 178.4562 *76 L 4.2135 7.9166 120.3343 54.9180 43.3846 178.0033 77 D 4.4194 8.8170 118.5817 56.2742 41.1998 176.5115 78 A 3.9843 7.1305 120.2141 51.7353 18.7789 178.1640 79 S 4.2240 8.6155 113.5541 61.2985 63.5673 173.5840 80 H 5.0738 8.7265 116.5685 53.7700 32.7913 172.5624 81 V 4.7093 8.9287 122.8075 61.1269 34.0029 174.1587 82 V 4.3633 8.4902 128.7125 61.3423 33.5209 174.5647 83 V 4.4250 8.4438 128.3753 61.1130 33.3082 174.4211 84 F 4.5438 9.3200 128.8597 57.1517 40.1490 174.7998 85 C 5.4021 8.9000 121.4312 57.8418 31.6203 172.9888 86 A 5.2670 8.7655 123.3830 49.9253 21.7944 176.3273 87 K 4.3486 8.3161 119.7432 56.5695 32.4087 177.7587 88 T 4.2522 8.2848 112.1242 62.7758 70.4375 175.2677 89 A 4.4183 7.2282 127.1501 51.3760 23.1128 176.3475 *91 D 4.4957 8.4770 117.0375 54.7779 41.7973 176.3091 92 D 4.4428 8.4991 120.1767 57.5722 40.9401 179.2209 93 V 3.6615 7.8637 118.4287 65.5680 31.5295 177.7388 94 W 4.0472 8.1932 127.5926 60.1663 30.6803 178.0642 95 L 4.1044 8.1014 119.0276 57.7816 41.0804 179.4870 96 K 3.9926 8.5297 120.0293 59.1126 32.1071 178.6328 97 L 3.7946 7.6075 120.5787 58.2957 41.9206 178.7604 98 V 3.3814 7.5601 118.2902 66.0070 31.4558 178.1629 99 V 3.7986 7.8872 118.2674 65.2328 31.0097 178.0864 100 D 4.4692 8.2977 119.3222 57.0204 40.5203 178.7673 101 Q 3.9346 7.9771 118.8680 58.9876 28.7762 178.3118 102 E 3.8315 8.2982 119.6653 59.3373 29.3926 179.0741 103 D 4.3223 8.2233 117.7649 57.4334 41.2075 178.2134 104 A 4.0297 8.0859 120.1171 54.9983 18.4392 178.5477 105 D 4.5636 8.1469 115.5761 54.6555 41.1190 176.9697 106 G 3.8043 7.9652 107.6917 46.4036 0.0000 174.7438 107 R 4.0407 7.4927 117.6575 56.0764 30.4826 176.6014 108 F 5.1184 7.5400 116.7660 55.5944 41.1962 175.1975 109 A 4.3191 8.8773 128.6448 54.2497 19.1313 177.4430 110 T 4.7693 7.5011 105.3164 58.6834 73.0015 172.9139 111 P 4.2672 0.0000 0.0000 65.8817 31.1900 178.4557 112 E 3.8903 8.1194 116.8855 59.0187 29.7799 178.7745 113 A 3.9130 7.7535 121.4889 54.6662 18.4062 179.5497 114 K 2.0000 7.6223 118.0874 58.9120 32.1861 179.0366 115 A 3.8752 7.9838 121.1407 54.9252 18.2335 179.4853 116 A 3.8965 8.1408 119.7438 55.1762 18.3407 179.4409 117 N 4.2799 7.8801 115.5055 56.8373 39.0878 176.6359 118 D 4.3211 8.0702 119.5143 57.3132 41.3180 178.1941 119 K 4.2030 8.3320 120.3363 59.1706 32.0016 179.1972 120 G 3.6036 8.0561 106.2614 47.7963 0.0000 175.7565 121 R 4.1949 8.3727 121.9784 59.0827 30.2684 178.4663 122 K 3.9879 8.7942 119.7282 59.3898 31.8469 178.5790 123 F 3.8565 7.9353 120.4747 61.1438 39.3699 176.9130 124 F 4.1959 7.8354 115.9971 59.8429 38.9879 177.5240 125 A 4.1503 8.2561 120.8235 54.9699 18.2703 180.5435 126 D 4.5615 7.7477 117.6120 54.5388 40.7856 178.6257 *128 H 4.5785 8.2210 117.9531 55.8063 30.8261 176.2092 129 R 3.9320 8.1902 114.6205 58.7995 29.8747 178.0257 130 K 3.9249 8.3700 117.6766 58.3127 31.4783 177.2780 131 D 4.5216 7.0419 117.7860 55.9734 41.8418 178.3861 132 L 4.0090 7.5757 122.7155 56.3569 42.4364 176.9747 133 H 4.2354 7.3202 115.4897 56.9568 26.7567 174.2282 134 D 4.9978 8.3840 113.2489 53.0156 40.3288 177.6926 135 D 4.6244 8.4586 121.8382 57.2900 39.9702 178.2232 136 A 4.0636 8.1442 121.0585 55.0416 18.6398 178.7167 137 E 4.0979 8.1644 117.4106 59.0330 29.4840 178.7603 138 W 4.3695 8.4435 124.9004 58.8092 30.8020 176.9158 *140 A 4.3752 7.9246 122.0928 51.9269 20.2877 179.8696 141 K 4.0241 8.4211 115.6537 59.7502 32.0506 179.4854 142 Q 4.0716 7.7043 118.0040 59.0192 28.5540 179.1312 143 V 3.9368 7.9581 118.7525 66.4316 31.6254 177.5655 144 Y 3.7171 8.2712 116.2705 60.7980 37.6368 178.2524 145 L 4.0246 8.0567 121.4507 58.0041 42.1303 178.5958 146 N 4.5675 8.1330 118.5101 56.1462 38.8606 176.9474 147 V 3.0015 7.6123 119.8774 65.7447 31.1219 178.2800 148 G 3.5607 8.1373 105.5446 47.7509 0.0000 175.2781 149 N 4.3548 8.2387 119.6125 56.2981 38.9880 176.8400 150 F 4.1105 8.7017 122.5898 61.2013 39.6298 177.1061 151 L 3.8968 8.1608 118.7617 57.7010 41.3829 179.3701 152 L 4.0014 7.6876 120.1233 57.8609 41.8219 178.9635 153 G 3.5362 7.7358 104.5522 47.9769 0.0000 175.2376 154 V 3.4290 7.7191 121.4874 65.4479 31.4042 177.9745 155 A 4.0779 7.7466 119.6417 54.9674 18.0128 179.1374 156 A 4.0874 7.8758 117.6529 54.0155 18.5944 178.7856 157 L 4.2689 7.5336 116.1835 54.7946 42.0435 177.6852 158 G 3.8910 7.8779 107.1628 45.3516 0.0000 173.1743 159 L 4.5709 7.3706 117.9493 52.9396 43.7667 175.7330 160 D 4.8536 8.8721 121.2515 53.9529 43.1146 175.2430 161 A 5.5991 8.3426 120.7916 52.7379 23.1518 175.7413 162 V 4.7207 8.0983 118.4193 59.9790 34.3797 172.0493 163 P 4.4917 0.0000 0.0000 62.6133 32.2754 175.6104 164 I 4.6120 9.3463 124.9827 59.7528 39.3882 176.0428 165 E 4.6332 9.1763 125.3589 56.8392 31.6348 177.2630 166 G 3.6377 7.9437 108.4743 43.5337 0.0000 172.2360 167 F 4.3722 6.0857 117.2778 55.9543 40.7872 174.4916 168 D 4.5217 9.1082 122.1932 53.0193 40.8202 177.0155 169 A 4.2366 8.2521 129.8955 54.9799 18.4485 178.7537 170 A 3.9981 8.0827 119.1142 55.3195 18.4805 179.8381 171 I 3.6757 8.2598 118.2648 64.4517 36.9150 178.2715 172 L 4.1297 8.3290 121.4107 58.4136 41.4944 178.7607 173 D 4.5105 8.9357 118.7388 57.4231 40.9138 178.5638 174 A 4.0672 8.0017 121.1617 55.3082 18.1820 179.1940 175 E 3.8332 8.5238 116.9064 58.4397 29.5667 177.5613 176 F 4.6560 7.4470 113.3866 56.1074 38.5121 175.0299 177 G 4.1850 8.1625 108.6726 46.0580 0.0000 176.7370 178 L 4.1822 8.3258 121.0440 57.6145 42.2001 180.2112 179 K 4.1432 8.5741 117.1877 59.0467 32.1078 178.6529 180 E 4.2792 7.8274 112.0342 57.2165 29.1197 177.7328 181 K 4.4535 8.0801 117.0166 56.1529 34.1235 176.7510 182 G 3.6629 8.8981 108.4708 44.8593 0.0000 172.1581 183 Y 5.3547 8.2761 116.7737 56.3428 42.6477 174.3348 184 T 5.2684 8.9387 114.3344 60.4376 71.1991 172.9704 185 S 4.7417 10.0040 124.5037 58.7872 63.4305 173.3381 186 L 4.8451 9.1711 122.4889 55.8676 44.0403 177.0827 187 V 4.8744 7.7422 116.5914 61.0518 35.5060 174.0515 188 V 4.6325 8.5353 125.4534 61.1014 34.6816 174.7562 189 V 4.8835 8.9724 126.4546 59.4127 33.9998 172.3329 190 P 4.6646 0.0000 0.0000 62.1558 32.7591 175.6333 191 V 4.9023 9.7539 123.9140 59.7729 34.9927 175.1068 192 G 4.7432 8.1830 115.7554 46.9496 0.0000 172.2674 193 H 5.4194 8.2555 121.0526 53.7188 32.1771 172.7572 194 H 4.5843 9.9080 119.4651 55.6912 29.5657 174.8846 195 S 4.7102 8.6100 115.3895 56.6425 65.4753 175.3661 196 V 3.7331 8.4024 112.4651 63.6913 31.2351 177.1098 197 E 4.3101 7.8453 117.8793 56.6587 29.5420 176.8514 198 D 4.3050 8.0177 121.3551 52.3694 39.5081 176.4828 199 F 4.2604 7.7931 120.9254 58.8675 38.2942 177.0242 200 N 4.3844 7.3679 118.2847 54.4020 39.1370 176.1931 201 A 3.3083 7.6807 120.3763 54.7676 18.5051 178.2324 202 T 4.4525 7.1514 103.2100 61.2427 69.4735 174.4793 203 L 4.3844 7.2479 122.4665 53.3854 42.5752 175.0647 204 P 4.4026 0.0000 0.0000 62.3367 32.0291 176.2686 205 K 4.1934 8.3069 121.3787 56.3737 32.9024 176.1137 206 S 4.6603 8.3359 117.4550 56.6204 65.0781 173.3893 207 R 4.7484 8.2598 124.8569 54.2153 34.0759 174.9297 208 L 4.2126 8.2674 120.0480 54.0469 42.5731 175.6807 209 P 4.4877 0.0000 0.0000 62.4450 32.1635 177.9962 210 Q 4.1745 8.8903 119.6652 58.2650 28.8477 178.2842 211 N 4.6001 8.1645 113.8857 54.7019 37.6535 175.6516 212 I 4.1608 7.7263 119.6499 63.0441 38.2593 176.7798 213 T 4.3435 7.7189 108.2974 61.4574 69.7394 173.6708 214 L 4.7967 8.3560 124.3798 53.3094 44.5694 175.3631 215 T 4.6655 8.4557 121.3671 61.6993 71.4248 173.0229 216 E 4.7741 8.6561 124.7050 54.7522 31.9854 176.4855 217 V 4.0416 8.0679 114.7204 61.7774 32.7647 175.1278 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 D 8.22 4.57 0.00 2.76 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 3 I 7.45 3.55 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 1.62 1.28 0.90 0.00 0.00 4 I 8.49 3.74 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 1.64 0.35 0.91 0.00 0.00 5 S 7.87 4.09 0.00 3.99 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 6 V 7.89 3.53 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 0.97 0.00 0.00 1.01 0.00 0.00 7 A 7.97 4.01 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 8 L 8.01 4.16 0.00 1.65 1.73 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.99 4.28 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.48 7.81 10 R 7.25 4.07 0.00 1.93 1.82 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 11 H 7.95 4.64 0.00 3.22 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.41 4.42 0.00 3.87 3.87 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 0.00 0.00 0.00 13 T 7.88 3.92 3.60 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 0.14 0.00 0.00 14 K 8.35 4.17 0.00 1.10 1.46 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.14 0.63 7.81 15 A 7.12 4.49 1.16 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 16 F 8.85 4.94 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.59 0.00 2.65 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 18 A 8.98 4.53 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 19 S 8.88 4.39 0.00 3.94 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 20 K 7.96 4.37 0.00 1.98 1.87 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.52 7.81 21 K 8.30 4.71 0.00 1.73 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 22 L 8.14 4.43 0.00 1.60 1.53 0.91 0.68 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 23 T 9.26 4.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 24 P 0.00 4.22 0.00 2.27 2.37 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 25 E 8.05 3.84 0.00 2.04 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 2.35 2.37 0.00 26 Q 7.96 3.92 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 27 A 8.05 3.84 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 28 E 7.94 3.82 0.00 2.18 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 2.29 2.37 0.00 29 Q 8.15 4.00 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 30 I 7.92 3.76 2.13 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 1.66 0.67 0.83 0.00 0.00 31 K 7.63 3.83 0.00 2.07 1.82 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.33 1.62 7.81 32 T 7.77 4.01 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 1.17 0.00 0.00 33 L 7.87 3.97 0.00 1.93 1.92 0.90 0.72 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 34 L 7.70 3.53 0.00 1.37 0.31 -0.09 0.08 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 35 Q 7.59 3.98 0.00 2.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.34 0.00 0.00 0.00 0.00 0.00 1.47 2.10 0.00 36 Y 7.93 4.51 0.00 3.07 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 37 S 7.23 4.35 0.00 3.92 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 38 P 0.00 5.10 0.00 2.32 2.15 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 39 S 8.09 4.70 0.00 3.69 3.87 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 0.00 0.00 0.00 40 S 9.63 4.23 0.00 4.01 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 41 T 9.41 3.56 4.43 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 1.47 0.00 0.00 42 N 8.48 4.30 0.00 2.87 2.99 0.00 0.00 7.07 7.72 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 43 S 8.22 4.17 0.00 3.86 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 44 Q 7.26 2.00 0.00 1.99 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.63 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 45 P 0.00 4.28 0.00 1.77 1.83 0.00 2.67 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.46 0.00 46 W 7.09 5.64 0.00 2.66 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 47 H 8.43 4.46 0.00 1.92 2.26 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 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0.00 56 G 8.55 3.63 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 0.00 0.00 0.00 57 K 8.58 4.00 0.00 1.84 1.82 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.38 7.81 58 A 7.92 4.00 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 59 R 7.82 3.97 0.00 2.08 1.82 0.00 3.05 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 1.53 1.81 0.00 60 V 7.71 3.73 2.22 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 0.99 0.00 0.00 0.99 0.00 0.00 61 A 8.41 4.05 1.37 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 0.00 0.00 62 K 7.77 4.07 0.00 1.93 1.93 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.71 7.81 63 S 8.62 4.45 0.00 4.54 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 0.00 64 A 8.24 4.46 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.40 5.32 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 66 G 8.31 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 67 N 8.59 4.43 0.00 1.91 2.44 0.00 0.00 6.62 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.17 4.94 0.00 3.17 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 69 V 7.55 4.40 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 1.27 0.00 0.00 1.03 0.00 0.00 70 F 8.46 4.59 0.00 3.00 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 71 N 8.82 4.82 0.00 3.00 2.87 0.00 0.00 6.50 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 72 E 8.30 3.83 0.00 2.19 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 2.35 2.33 0.00 73 R 8.27 4.07 0.00 1.82 1.99 0.00 3.38 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 74 K 7.55 4.11 0.00 1.89 1.91 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.59 1.41 7.81 *76 L 7.92 4.21 0.00 1.90 1.75 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.82 4.42 0.00 2.78 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 78 A 7.13 3.98 0.34 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 79 S 8.62 4.22 0.00 4.13 4.06 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 80 H 8.73 5.07 0.00 3.04 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.93 4.71 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 0.80 0.00 0.00 0.76 0.00 0.00 82 V 8.49 4.36 1.68 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 -0.21 0.00 0.00 0.63 0.00 0.00 83 V 8.44 4.42 1.76 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 0.71 0.00 0.00 0.63 0.00 0.00 84 F 9.32 4.54 0.00 2.94 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 85 C 8.90 5.40 0.00 2.79 2.81 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 86 A 8.77 5.27 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 87 K 8.32 4.35 0.00 1.30 1.27 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 1.02 7.81 88 T 8.28 4.25 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 89 A 7.23 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 D 8.48 4.50 0.00 2.98 2.86 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0.00 1.47 1.46 0.00 108 F 7.54 5.12 0.00 3.04 3.01 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 0.00 109 A 8.88 4.32 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 0.00 110 T 7.50 4.77 4.55 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 1.23 0.00 0.00 111 P 0.00 4.27 0.00 2.26 2.34 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 112 E 8.12 3.89 0.00 2.15 2.22 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 2.34 2.30 0.00 113 A 7.75 3.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.62 2.00 0.00 1.34 1.71 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.17 0.96 7.81 115 A 7.98 3.88 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 0.00 116 A 8.14 3.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.88 4.28 0.00 2.87 2.71 0.00 0.00 6.84 8.42 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 0.00 118 D 8.07 4.32 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 0.00 119 K 8.33 4.20 0.00 2.01 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 120 G 8.06 3.60 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 0.00 0.00 0.00 121 R 8.37 4.19 0.00 2.05 2.20 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 122 K 8.79 3.99 0.00 2.20 1.96 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.51 7.81 123 F 7.94 3.86 0.00 3.01 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 0.00 124 F 7.84 4.20 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.15 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 0.00 126 D 7.75 4.56 0.00 2.44 2.49 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 *128 H 8.22 4.58 0.00 2.99 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.19 3.93 0.00 1.86 2.06 0.00 3.02 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 130 K 8.37 3.92 0.00 1.72 1.79 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.32 7.81 131 D 7.04 4.52 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.58 4.01 0.00 1.52 1.71 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 133 H 7.32 4.24 0.00 3.37 3.35 0.00 5.79 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 0.00 134 D 8.38 5.00 0.00 2.84 2.83 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 0.00 135 D 8.46 4.62 0.00 3.06 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 0.00 136 A 8.14 4.06 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 0.00 137 E 8.16 4.10 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 138 W 8.44 4.37 0.00 3.28 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 *140 A 7.92 4.38 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.42 4.02 0.00 1.99 1.90 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.75 7.81 142 Q 7.70 4.07 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 143 V 7.96 3.94 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 1.18 0.00 0.00 1.24 0.00 0.00 144 Y 8.27 3.72 0.00 3.26 3.03 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 0.00 145 L 8.06 4.02 0.00 1.84 2.03 1.00 0.71 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 0.00 146 N 8.13 4.57 0.00 2.71 2.95 0.00 0.00 6.54 7.73 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 0.00 147 V 7.61 3.00 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 0.55 0.00 0.00 -0.58 0.00 0.00 148 G 8.14 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 0.00 0.00 0.00 149 N 8.24 4.35 0.00 2.83 3.04 0.00 0.00 6.86 7.86 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 0.00 150 F 8.70 4.11 0.00 3.19 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 0.00 151 L 8.16 3.90 0.00 1.71 1.68 0.90 0.43 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 0.00 152 L 7.69 4.00 0.00 1.72 1.62 0.89 0.93 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 0.00 153 G 7.74 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.72 3.43 1.70 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 0.85 0.00 0.00 -0.20 0.00 0.00 155 A 7.75 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.88 4.09 1.28 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 0.00 0.00 157 L 7.53 4.27 0.00 1.80 1.64 0.86 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 0.00 158 G 7.88 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 0.00 159 L 7.37 4.57 0.00 1.63 1.50 0.82 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 0.00 160 D 8.87 4.85 0.00 2.67 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 0.00 0.00 0.00 0.00 161 A 8.34 5.60 1.28 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 0.00 0.00 162 V 8.10 4.72 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 1.06 0.00 0.00 0.97 0.00 0.00 163 P 0.00 4.49 0.00 2.08 2.07 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 164 I 9.35 4.61 1.93 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 1.53 0.99 1.06 0.00 0.00 165 E 9.18 4.63 0.00 2.00 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 2.29 2.40 0.00 166 G 7.94 3.64 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 0.00 0.00 0.00 167 F 6.09 4.37 0.00 3.07 2.87 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 0.00 0.00 0.00 168 D 9.11 4.52 0.00 2.87 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 0.00 169 A 8.25 4.24 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 0.00 170 A 8.08 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 0.00 171 I 8.26 3.68 2.14 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 1.85 0.92 0.98 0.00 0.00 172 L 8.33 4.13 0.00 2.09 1.93 1.13 1.36 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 0.00 173 D 8.94 4.51 0.00 2.83 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 0.00 174 A 8.00 4.07 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 0.00 175 E 8.52 3.83 0.00 1.94 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 2.28 1.47 0.00 176 F 7.45 4.66 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.16 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.33 4.18 0.00 2.00 2.05 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.57 4.14 0.00 1.81 1.87 0.00 1.97 0.00 0.00 1.99 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.37 7.81 180 E 7.83 4.28 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 2.56 2.45 0.00 181 K 8.08 4.45 0.00 2.04 2.04 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.54 7.81 182 G 8.90 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 0.00 183 Y 8.28 5.35 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 T 8.94 5.27 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 1.26 0.00 0.00 185 S 10.00 4.74 0.00 3.97 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 0.00 186 L 9.17 4.85 0.00 1.57 1.87 1.05 1.15 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 0.00 187 V 7.74 4.87 1.76 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 0.77 0.00 0.00 0.36 0.00 0.00 188 V 8.54 4.63 1.72 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 0.66 0.00 0.00 -0.31 0.00 0.00 189 V 8.97 4.88 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 1.04 0.00 0.00 190 P 0.00 4.66 0.00 1.63 1.60 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 191 V 9.75 4.90 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 1.05 0.00 0.00 1.10 0.00 0.00 192 G 8.18 4.74 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 0.00 193 H 8.26 5.42 0.00 3.07 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 H 9.91 4.58 0.00 3.05 2.99 0.00 5.54 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.61 4.71 0.00 3.87 4.17 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 0.00 196 V 8.40 3.73 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 0.72 0.00 0.00 0.94 0.00 0.00 197 E 7.85 4.31 0.00 2.01 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 2.34 2.42 0.00 198 D 8.02 4.30 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 0.00 199 F 7.79 4.26 0.00 3.32 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 0.00 200 N 7.37 4.38 0.00 2.53 2.75 0.00 0.00 7.13 8.15 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 0.00 201 A 7.68 3.31 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 0.00 202 T 7.15 4.45 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 1.19 0.00 0.00 203 L 7.25 4.38 0.00 1.80 1.67 1.09 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 0.00 204 P 0.00 4.40 0.00 2.18 2.05 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 205 K 8.31 4.19 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 206 S 8.34 4.66 0.00 3.82 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 0.00 207 R 8.26 4.75 0.00 1.78 1.76 0.00 3.44 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 208 L 8.27 4.21 0.00 1.64 1.61 0.93 1.05 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 0.00 209 P 0.00 4.49 0.00 2.18 1.97 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 210 Q 8.89 4.17 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 211 N 8.16 4.60 0.00 2.81 2.96 0.00 0.00 5.97 7.81 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 0.00 212 I 7.73 4.16 2.02 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 1.36 0.88 0.92 0.00 0.00 213 T 7.72 4.34 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 1.22 0.00 0.00 214 L 8.36 4.80 0.00 1.53 1.68 0.96 0.92 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 0.00 215 T 8.46 4.67 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 1.22 0.00 0.00 216 E 8.66 4.77 0.00 1.93 1.84 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 2.22 2.29 0.00 217 V 8.07 4.04 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 0.69 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.