NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 K 4.2946 8.3149 120.1204 55.4719 33.5905 175.3071 56 W 4.1639 8.3624 118.1715 56.7425 29.7411 174.7655 57 R 4.4635 9.5399 119.7246 54.8756 31.3407 175.8983 58 R 4.4657 8.3013 123.4273 53.9866 30.6787 175.3832 59 P 4.4091 0.0000 0.0000 65.1812 31.4176 178.7193 60 S 4.1425 7.8775 112.2514 61.7037 62.6112 176.3338 61 L 3.9992 8.0057 121.8840 57.5960 41.0555 179.3130 62 A 4.0368 7.7092 119.2324 54.9969 18.4499 179.5592 63 Q 3.9753 7.9362 118.0307 59.3741 29.1534 178.4104 64 Q 4.0927 8.6879 118.7929 58.8002 28.7383 178.5810 65 R 3.8764 7.6780 119.5198 59.3225 30.0833 178.7570 66 A 4.0295 7.6441 119.0660 55.0291 18.2800 179.7124 67 R 3.8453 7.8528 116.1932 59.6310 30.0144 179.1569 68 R 3.8641 8.0912 116.9388 59.4423 30.0863 178.1183 69 A 4.1427 7.6921 119.2532 55.2470 18.4894 179.3923 70 Q 4.1074 8.1558 115.7945 58.0836 29.0996 177.3066 71 L 4.2831 7.3307 118.2321 53.4450 42.3969 175.1406 72 P 4.4292 0.0000 0.0000 61.9751 32.0914 174.9709 73 P 4.5667 0.0000 0.0000 63.2787 32.4507 175.0766 74 A 4.9780 8.4137 123.1079 51.7708 22.1052 174.9128 75 F 5.0046 8.1380 113.2026 55.6729 41.8247 173.1898 76 D 4.9923 8.7383 118.9462 52.5092 43.5140 176.2352 77 V 4.0495 8.8264 123.1855 61.3061 33.2865 174.2493 78 V 3.6844 7.8993 128.4412 60.7310 32.6185 175.7740 79 H 5.0041 7.6429 125.5708 54.3874 28.2626 173.5854 80 W 5.1525 7.6882 118.0323 57.4318 29.8020 177.2462 81 N 4.8292 10.0258 120.0322 53.1590 39.6342 174.8196 82 D 4.3176 8.6805 124.7601 56.8817 41.4744 177.5617 83 E 3.9941 8.2231 118.5491 59.2043 29.6256 176.7387 84 D 4.6527 7.9029 118.1591 52.2137 42.1022 174.7622 85 I 3.7847 8.3679 126.6238 63.9975 37.4729 178.4875 86 S 4.2735 7.8806 112.4188 60.3003 62.9565 175.0012 87 R 4.5660 8.2528 118.7624 55.8459 30.7918 175.9866 88 G 4.3700 7.8853 107.5436 45.7033 0.0000 172.9217 89 H 5.3920 8.8817 118.1407 54.0786 32.9737 171.8201 90 L 4.6330 8.5503 120.4542 52.9649 45.4656 174.5423 91 L 4.9624 8.5261 127.9043 53.3203 44.7718 174.8889 92 R 4.6447 8.7276 125.5928 54.3499 32.8545 175.2173 93 V 4.5753 7.8211 123.9042 60.8637 33.6943 174.4157 94 L 5.4049 8.9327 127.4325 54.3766 44.7838 174.5054 95 H 5.5162 9.1793 118.9501 54.4735 31.9846 173.1284 96 R 4.4730 9.0792 125.9649 56.2213 33.3286 174.4465 97 D 4.4806 9.7517 125.9531 55.8187 38.3414 174.5082 98 T 3.5010 7.9508 104.7595 61.9028 68.1708 171.4311 99 F 5.0071 8.0133 121.1655 56.0338 42.2325 174.6287 100 V 4.6759 8.6154 122.1134 61.8322 33.0615 174.6407 101 V 4.8360 9.1455 128.3804 61.1610 34.0664 174.1463 102 L 4.9036 9.0995 128.2664 53.4041 43.7719 175.3907 103 D 5.0193 9.0514 126.2240 52.8676 42.4043 175.0052 104 Y 4.5177 8.6061 126.6357 56.6209 40.2542 174.0422 105 H 5.2964 8.6097 123.3334 53.8202 33.0812 172.7481 106 R 4.8370 8.2647 117.7613 54.3629 32.0715 175.3666 107 Q 4.4109 9.0705 123.3470 56.8358 29.1491 175.4315 108 A 4.4023 9.9506 130.5737 53.1733 18.4118 177.5147 109 R 4.5918 7.3047 109.6894 53.5364 33.1337 175.2708 110 M 4.2318 8.2598 117.5280 55.1728 32.4283 177.9308 111 L 3.6837 9.1778 122.2520 57.4212 42.4134 178.5010 112 T 4.2685 6.8121 111.1770 58.4211 67.5644 173.3844 113 E 4.7645 6.9451 119.0378 56.2446 31.7164 176.4595 114 E 4.0275 8.5037 118.6048 56.7402 30.4335 177.3203 115 G 4.0097 8.4122 103.1017 45.2123 0.0000 173.0580 116 N 4.3724 8.3172 116.7380 53.1557 38.4427 176.5152 117 K 3.9825 8.6183 122.3534 58.1730 33.0511 176.4124 118 A 4.8587 7.5349 120.9882 50.0598 22.8374 175.0932 119 E 4.5665 8.7736 119.8146 54.0531 33.0105 174.8078 120 R 3.9021 8.7354 127.9335 56.7938 30.0309 175.7918 121 V 4.0497 8.6245 127.5466 64.6590 32.7456 176.3375 122 V 4.5177 7.1981 117.3513 60.4434 34.6831 173.0282 123 S 5.0153 8.5084 116.5910 56.6498 65.1489 172.8374 124 V 4.4606 8.9769 127.6421 61.4747 33.6356 173.9714 125 M 4.9371 8.7201 127.2524 53.6657 34.0764 175.0299 126 L 4.8374 9.0524 124.9710 52.3943 43.8004 175.1773 127 P 4.6004 0.0000 0.0000 61.9656 32.3366 177.0731 128 A 4.0161 8.4418 122.1400 55.5817 17.7847 180.5296 129 V 3.5955 7.6601 116.1848 64.9682 31.7333 177.5630 130 Y 4.4036 8.1843 116.5964 59.9425 37.6807 177.7772 131 T 4.0299 8.0183 117.5642 66.8342 68.6151 176.2740 132 A 4.0392 8.0632 121.8134 55.1284 18.0512 179.7430 133 R 3.9552 7.9928 116.4673 59.3184 30.2688 179.0363 134 F 3.8866 8.6300 117.7404 60.4064 38.8094 177.6707 135 L 4.0040 8.4121 118.7300 57.8365 41.4343 179.4249 136 A 4.0136 8.3025 120.7711 55.0154 18.2301 180.0032 137 V 4.1230 7.3369 116.8399 65.7925 31.5180 178.3168 138 L 3.4287 7.7860 117.3015 57.1922 41.4724 178.4110 139 E 4.5418 8.4088 116.1706 55.8166 29.7632 177.1670 140 G 4.0180 8.0545 107.4911 45.7105 0.0000 174.6556 141 R 4.1805 8.0229 120.3996 57.2234 30.7032 176.4119 142 S 4.7929 7.8100 111.1890 56.4200 65.1392 173.7906 143 E 4.4193 8.5710 124.0470 56.9129 30.0362 175.9116 144 K 4.7393 7.3875 117.5289 55.5320 36.0761 174.6237 145 V 4.4963 8.2015 123.9199 59.9586 34.5287 173.9364 146 E 5.1074 8.9335 123.5430 54.4215 32.1499 175.2720 147 V 4.4206 8.8665 123.8674 60.4781 34.1540 173.8949 148 H 5.4408 8.9407 124.0712 54.3719 31.5729 172.9705 149 S 4.6656 9.4627 118.2547 57.5677 67.1492 174.5849 150 R 4.2078 8.3415 118.0607 57.3076 30.0364 176.8011 151 Y 5.2743 7.9000 114.9198 56.6991 41.3456 175.5109 152 T 4.9746 7.8491 108.5448 59.9083 72.8514 172.7983 153 N 5.3617 8.9974 122.0438 51.9150 41.3008 172.5549 154 A 5.2592 9.2303 127.5990 50.0387 23.3805 174.4636 155 T 5.0818 8.7118 108.6601 59.8433 73.0688 172.7496 156 F 5.3704 8.8156 124.8383 56.8207 42.5713 173.6719 157 T 4.9763 8.0094 114.8496 59.3405 72.6569 171.5036 158 P 4.1177 0.0000 0.0000 62.4003 32.4449 175.4544 159 N 4.5760 8.3808 122.0282 51.4654 39.6810 173.9657 160 P 4.0822 0.0000 0.0000 65.5457 31.6684 177.4867 161 A 4.0188 8.2934 120.4697 54.9648 18.7168 177.4857 162 A 4.4848 7.5133 116.3577 50.3926 22.5552 174.2447 163 P 4.0969 0.0000 0.0000 63.8540 31.5811 175.6876 164 Y 3.8756 7.9241 116.5454 59.2221 35.6139 169.2412 165 T 4.9962 6.9160 107.4657 60.1335 72.3199 172.6080 166 F 5.0717 9.1608 120.3354 56.3386 44.5643 173.5670 167 T 5.1045 8.7937 116.2322 61.9033 72.4281 172.8750 168 L 5.1340 9.3462 129.0886 53.5690 44.0757 175.0486 169 K 4.7827 8.7181 125.7920 54.6476 35.3073 174.9196 170 C 4.8420 8.4131 124.4933 57.6583 35.6476 172.7340 171 T 4.6317 8.4832 114.8306 60.1694 70.6301 173.2982 172 S 5.3491 9.4623 123.6765 57.7614 65.2102 173.5968 173 T 5.4500 9.2089 111.7481 60.6534 72.3903 172.8081 174 R 4.9994 9.2113 119.2913 54.1475 33.7119 172.4358 175 P 4.2849 0.0000 0.0000 62.8122 31.3111 175.5397 *188 D 4.4529 8.4864 122.5970 54.0385 41.7323 173.9810 189 E 4.8760 9.4037 126.9269 55.1477 32.3206 175.1659 190 T 5.2536 8.3417 115.6920 60.6595 71.1494 172.9076 191 F 5.0637 9.5121 129.8438 57.0029 42.8009 172.6991 192 E 4.9020 8.5906 126.0891 54.6443 30.9181 175.4616 193 W 4.9913 8.3718 120.2540 55.3931 31.9906 173.7594 194 T 4.9964 8.3863 116.5070 61.9277 72.2132 173.4982 195 V 4.5895 9.2782 124.9703 61.2901 34.5283 174.1644 196 E 4.8432 9.0768 127.5522 55.7454 31.0941 175.9040 197 F 5.0038 9.5361 123.1840 55.8231 41.6788 175.6065 198 D 4.9193 9.3659 126.1078 52.4710 42.4334 176.5656 199 V 3.9828 8.7524 118.4274 65.8632 31.2547 178.1532 200 A 4.0148 8.0941 119.7403 55.4021 18.4238 179.3495 201 E 4.0609 8.9858 117.4544 59.6705 29.3971 179.9187 202 S 4.4097 8.7277 115.5975 61.4824 62.9355 176.3705 203 L 3.9650 7.9602 122.6216 58.4102 41.7654 178.8500 204 M 3.7815 8.2761 118.9233 58.2910 31.7292 178.5623 205 L 4.0183 7.9532 120.3967 58.0938 42.2533 178.7670 206 Q 3.9344 8.3839 119.9150 59.2954 28.9264 178.5236 207 R 3.9153 8.1926 119.2661 58.9277 30.0475 178.7256 208 F 4.0585 8.3653 120.6794 61.4555 39.3763 177.2501 209 L 4.0506 8.4489 118.8408 57.9563 41.3490 179.6464 210 T 3.8496 8.0662 115.7713 66.7575 68.3286 176.6689 211 Q 4.0384 8.3490 119.9753 58.9248 28.7451 178.6271 212 A 3.6457 7.9922 122.1759 54.9927 18.3166 179.4801 213 L 3.9431 8.1989 119.0902 58.3463 42.1774 178.5276 214 H 4.2160 8.4178 118.2376 59.7244 29.8439 176.9110 215 Y 3.7778 8.5018 118.6336 61.0706 37.5371 177.9776 216 N 4.4020 8.5734 116.9971 56.7142 39.0919 176.5302 217 T 4.0877 7.7929 116.0127 64.4493 68.9860 175.4820 218 G 3.9007 7.8936 109.4903 45.1700 0.0000 175.1566 219 F 4.1304 7.5524 117.2733 58.8718 38.8373 175.8225 220 A 4.4487 7.3814 121.7606 51.5585 19.6272 176.8529 221 R 4.0891 7.6319 120.5707 56.5323 30.0044 176.5439 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 K 8.31 4.29 0.00 1.68 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 56 W 8.36 4.16 0.00 3.32 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 57 R 9.54 4.46 0.00 1.87 1.93 0.00 3.22 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 58 R 8.30 4.47 0.00 1.92 1.86 0.00 3.30 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 59 P 0.00 4.41 0.00 2.16 2.03 0.00 3.61 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 2.13 2.17 0.00 60 S 7.88 4.14 0.00 4.04 4.12 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 61 L 8.01 4.00 0.00 1.67 1.77 0.90 0.85 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 62 A 7.71 4.04 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 63 Q 7.94 3.98 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 64 Q 8.69 4.09 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 65 R 7.68 3.88 0.00 2.17 2.03 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 66 A 7.64 4.03 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 67 R 7.85 3.85 0.00 2.01 2.00 0.00 3.30 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 68 R 8.09 3.86 0.00 1.87 1.97 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 69 A 7.69 4.14 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 70 Q 8.16 4.11 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 71 L 7.33 4.28 0.00 1.72 1.62 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.43 0.00 2.08 2.22 0.00 3.70 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 2.04 2.13 0.00 73 P 0.00 4.57 0.00 2.12 1.95 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 74 A 8.41 4.98 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 75 F 8.14 5.00 0.00 3.10 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 76 D 8.74 4.99 0.00 2.45 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 77 V 8.83 4.05 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 0.53 0.00 0.00 0.79 0.00 0.00 78 V 7.90 3.68 1.75 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 -0.32 0.00 0.00 0.64 0.00 0.00 79 H 7.64 5.00 0.00 2.69 2.92 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 7.69 5.15 0.00 3.28 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 81 N 10.03 4.83 0.00 2.79 2.74 0.00 0.00 7.42 6.27 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 82 D 8.68 4.32 0.00 2.69 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 83 E 8.22 3.99 0.00 1.91 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 2.32 2.42 0.00 84 D 7.90 4.65 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.37 3.78 1.88 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 1.43 0.72 0.98 0.00 0.00 86 S 7.88 4.27 0.00 4.08 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 87 R 8.25 4.57 0.00 1.96 2.07 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 88 G 7.89 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 0.00 0.00 0.00 0.00 89 H 8.88 5.39 0.00 2.83 3.40 0.00 5.21 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 90 L 8.55 4.63 0.00 0.87 1.16 0.54 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.53 4.96 0.00 1.81 1.33 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.73 4.64 0.00 1.68 1.64 0.00 2.98 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.00 93 V 7.82 4.58 0.67 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 0.52 0.00 0.00 0.42 0.00 0.00 94 L 8.93 5.40 0.00 1.84 1.71 0.93 0.60 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 95 H 9.18 5.52 0.00 3.25 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 9.08 4.47 0.00 1.85 1.74 0.00 3.30 0.00 0.00 3.18 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 97 D 9.75 4.48 0.00 3.08 2.88 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 98 T 7.95 3.50 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 1.20 0.00 0.00 99 F 8.01 5.01 0.00 3.10 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 0.00 100 V 8.62 4.68 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 0.92 0.00 0.00 1.09 0.00 0.00 101 V 9.15 4.84 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 1.08 0.00 0.00 0.97 0.00 0.00 102 L 9.10 4.90 0.00 1.75 1.76 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 103 D 9.05 5.02 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.61 4.52 0.00 1.77 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 0.00 0.00 0.00 105 H 8.61 5.30 0.00 2.85 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.26 4.84 0.00 1.97 2.10 0.00 2.76 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 107 Q 9.07 4.41 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 108 A 9.95 4.40 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 0.00 109 R 7.30 4.59 0.00 2.17 1.80 0.00 3.14 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.55 0.00 110 M 8.26 4.23 0.00 2.06 1.95 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 2.63 2.64 0.00 111 L 9.18 3.68 0.00 1.45 1.56 0.83 -0.55 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 0.00 112 T 6.81 4.27 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 1.17 0.00 0.00 113 E 6.95 4.76 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 2.14 2.01 0.00 114 E 8.50 4.03 0.00 2.04 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 2.24 2.33 0.00 115 G 8.41 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 0.00 116 N 8.32 4.37 0.00 2.76 2.75 0.00 0.00 6.84 7.68 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 0.00 117 K 8.62 3.98 0.00 1.44 0.94 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.04 1.24 7.81 118 A 7.53 4.86 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 0.00 119 E 8.77 4.57 0.00 1.98 1.71 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 2.16 2.33 0.00 120 R 8.74 3.90 0.00 1.65 1.71 0.00 3.13 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.00 121 V 8.62 4.05 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 0.10 0.00 0.00 0.75 0.00 0.00 122 V 7.20 4.52 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 1.03 0.00 0.00 123 S 8.51 5.02 0.00 3.80 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 0.00 124 V 8.98 4.46 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 0.95 0.00 0.00 1.27 0.00 0.00 125 M 8.72 4.94 0.00 1.62 1.82 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 126 L 9.05 4.84 0.00 1.69 1.72 0.42 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.60 0.00 2.25 2.03 0.00 4.30 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 128 A 8.44 4.02 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 0.00 129 V 7.66 3.60 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 0.48 0.00 0.00 0.78 0.00 0.00 130 Y 8.18 4.40 0.00 3.32 3.30 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 0.00 0.00 0.00 0.00 131 T 8.02 4.03 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 1.24 0.00 0.00 132 A 8.06 4.04 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 0.00 133 R 7.99 3.96 0.00 2.23 2.06 0.00 3.17 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 134 F 8.63 3.89 0.00 3.10 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 0.00 135 L 8.41 4.00 0.00 1.86 1.89 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.30 4.01 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 0.00 137 V 7.34 4.12 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 1.60 0.00 0.00 1.00 0.00 0.00 138 L 7.79 3.43 0.00 1.72 1.59 0.80 0.20 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 0.00 139 E 8.41 4.54 0.00 2.02 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 2.33 2.42 0.00 140 G 8.05 4.02 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 0.00 0.00 0.00 141 R 8.02 4.18 0.00 1.83 2.10 0.00 3.23 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 142 S 7.81 4.79 0.00 3.86 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 0.00 143 E 8.57 4.42 0.00 1.99 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 2.26 2.21 0.00 144 K 7.39 4.74 0.00 1.71 1.59 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.27 7.81 145 V 8.20 4.50 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 -0.09 0.00 0.00 0.84 0.00 0.00 146 E 8.93 5.11 0.00 1.88 1.77 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 2.17 2.26 0.00 147 V 8.87 4.42 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 0.84 0.00 0.00 0.61 0.00 0.00 148 H 8.94 5.44 0.00 3.10 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 9.46 4.67 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.34 4.21 0.00 1.50 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0.00 175 P 0.00 4.28 0.00 2.25 2.23 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 *188 D 8.49 4.45 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 9.40 4.88 0.00 1.97 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 2.27 2.26 0.00 190 T 8.34 5.25 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 191 F 9.51 5.06 0.00 3.08 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 0.00 192 E 8.59 4.90 0.00 1.75 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 0.00 2.13 2.23 0.00 193 W 8.37 4.99 0.00 2.50 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 T 8.39 5.00 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 1.30 0.00 0.00 195 V 9.28 4.59 2.47 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 0.93 0.00 0.00 1.49 0.00 0.00 196 E 9.08 4.84 0.00 1.92 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 0.00 2.33 2.31 0.00 197 F 9.54 5.00 0.00 3.32 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 0.00 198 D 9.37 4.92 0.00 3.01 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 0.00 199 V 8.75 3.98 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 1.26 0.00 0.00 1.06 0.00 0.00 200 A 8.09 4.01 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 0.00 201 E 8.99 4.06 0.00 2.31 2.21 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 2.39 2.52 0.00 202 S 8.73 4.41 0.00 4.23 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 0.00 203 L 7.96 3.96 0.00 1.94 1.87 0.90 0.86 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 0.00 204 M 8.28 3.78 0.00 1.11 1.95 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.37 0.00 205 L 7.95 4.02 0.00 2.08 1.85 1.06 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 206 Q 8.38 3.93 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 207 R 8.19 3.92 0.00 1.81 1.93 0.00 3.33 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 208 F 8.37 4.06 0.00 3.04 3.31 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 0.00 209 L 8.45 4.05 0.00 1.80 1.73 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.07 3.85 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 1.18 0.00 0.00 211 Q 8.35 4.04 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 212 A 7.99 3.65 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 8.20 3.94 0.00 1.86 1.91 0.95 1.23 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 0.00 214 H 8.42 4.22 0.00 3.41 3.58 0.00 5.83 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 0.00 215 Y 8.50 3.78 0.00 3.07 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 0.00 216 N 8.57 4.40 0.00 2.81 2.87 0.00 0.00 7.33 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 0.00 217 T 7.79 4.09 4.47 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 0.98 0.00 0.00 218 G 7.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 F 7.55 4.13 0.00 2.66 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 0.00 220 A 7.38 4.45 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 R 7.63 4.09 0.00 1.79 1.83 0.00 3.18 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.