NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3141 8.1631 115.2425 61.5871 68.2647 173.6034 3 G 3.9405 7.5827 110.0186 43.8518 0.0000 169.0605 4 H 4.7492 10.9621 123.7633 54.5090 30.5320 173.4273 5 I 4.1536 8.4431 125.1263 62.3009 38.5555 176.0386 6 D 4.8329 7.5517 116.7586 51.4687 44.6057 173.3784 7 P 4.4947 0.0000 0.0000 62.5076 32.5658 176.5381 8 T 4.3374 8.2379 117.7577 63.1690 70.3391 176.5114 9 K 4.0100 8.7328 129.5580 60.4846 31.1607 179.0927 10 E 4.2152 8.1208 119.3199 59.2766 29.4561 179.4939 11 V 3.8216 7.7894 117.5101 65.4751 31.6870 177.6277 12 F 4.6622 8.5523 120.5510 60.7997 39.0655 176.9196 13 A 3.8958 7.8458 120.5119 55.5077 18.0274 179.3688 14 Q 3.6159 7.5763 113.7736 59.2548 29.0794 179.4155 15 F 4.2129 8.1108 121.1435 61.5543 39.3598 177.5634 16 R 3.8795 7.9593 116.1124 59.0291 29.8683 178.4056 17 A 4.0523 8.5465 121.0465 55.0329 18.2666 178.9790 18 N 4.2588 7.7801 114.7000 56.4463 39.4580 176.7751 19 D 4.2858 7.9318 116.4919 53.1623 38.7546 173.9593 20 R 3.8955 7.3605 116.1274 57.5147 29.7838 175.3675 21 E 4.1216 8.5715 120.5757 55.8106 30.1109 176.1261 22 G 3.8815 7.9294 113.7659 45.1873 0.0000 169.5468 23 P 5.2053 0.0000 0.0000 61.5081 33.7969 174.6690 24 I 4.9428 8.9388 112.1547 59.8562 41.3663 174.2611 25 H 5.7333 8.7688 120.2127 52.9004 33.1158 171.7675 *27 L 4.3777 8.2244 119.4225 55.5603 43.5205 175.4782 28 N 5.0872 8.7409 124.1243 51.4315 41.2693 173.7130 29 L 4.3510 9.0127 125.5497 52.8823 43.7875 175.3003 30 V 4.7044 8.7029 124.6614 60.9358 34.2415 174.4128 31 R 4.9527 9.3884 128.5941 54.4700 31.8402 174.7908 32 L 4.8319 8.7792 127.1715 54.5979 42.6950 177.4491 33 R 4.3564 8.8319 118.9800 55.2544 31.5527 175.5864 34 P 4.3586 0.0000 0.0000 65.2635 32.8927 176.8396 35 R 4.8011 7.8146 119.7226 54.6424 30.6546 178.2747 36 A 4.4056 8.4062 126.9274 50.6668 19.3705 176.9890 37 A 4.7639 8.0666 121.1042 51.6279 19.4446 177.3267 38 Y 4.0416 8.2394 119.2848 57.6659 38.6949 175.0142 39 P 4.3412 0.0000 0.0000 64.2085 33.2607 180.0203 40 D 4.2423 8.8723 123.3869 55.2680 37.7377 175.3453 *43 E 4.2902 9.2700 113.8050 56.2895 32.0689 177.1521 44 T 4.3008 7.4184 113.6398 62.3680 68.7859 173.3152 45 T 4.6401 8.0861 114.3108 60.2750 71.5664 176.0215 46 G 4.1477 8.6819 108.6839 47.6882 0.0000 176.0806 47 A 4.1613 8.1724 125.6940 55.0727 18.4119 180.1717 48 E 3.9461 8.2414 116.6482 61.3321 29.5301 182.6655 49 A 4.4152 8.1583 122.3180 55.0895 18.4226 179.2222 50 Y 3.9723 8.5313 118.0024 60.9639 38.9201 177.8891 51 A 4.0301 8.2584 121.4781 55.4371 18.2941 178.7308 52 A 3.8160 8.2077 119.1917 55.3183 18.1189 178.8863 53 Y 4.2990 7.8952 116.2482 60.7595 39.0566 179.0779 54 G 3.7574 7.9229 108.6258 48.6559 0.0000 176.2401 55 R 3.9850 7.9698 124.9481 61.4513 29.3696 180.6437 56 D 4.7807 7.9786 120.3485 57.8293 40.4702 181.2132 57 S 4.5097 9.0073 116.8040 61.3083 62.9058 176.0066 58 G 3.6462 7.9886 108.8833 47.2383 0.0000 173.5272 59 P 4.2577 0.0000 0.0000 64.9233 31.6185 178.6085 60 V 3.6639 7.9615 118.6261 66.7758 31.5355 178.2610 *61 F 4.2395 8.4659 122.6559 62.6692 37.8803 179.8558 62 E 4.1680 8.8829 119.4809 61.1398 29.2869 181.3002 63 R 4.1247 7.6239 118.1274 59.0167 30.3177 177.8410 64 L 4.4489 7.8339 115.5061 54.8407 41.8795 177.5158 65 G 3.9371 7.8597 107.4498 45.1965 0.0000 174.0881 66 G 3.4179 8.2156 109.0659 46.4865 0.0000 174.7286 67 K 4.6886 8.3689 124.7282 53.2956 36.6642 175.7912 68 V 4.1640 8.3582 124.9524 61.8650 31.2701 176.0478 69 V 3.8495 8.8728 129.1513 65.1534 31.8671 175.7810 70 W 5.3228 7.7526 127.7441 56.0794 34.6912 173.1690 71 Q 3.8617 6.9344 121.4185 54.9989 31.3230 173.0148 72 G 4.0347 7.3985 112.7539 44.3304 0.0000 171.2565 73 Q 4.6498 8.2815 120.3303 53.4658 30.6586 174.8209 74 F 4.1766 8.9691 127.8350 58.6952 40.0580 173.1160 75 E 4.5575 8.1274 125.6553 57.4669 32.2982 174.9039 76 L 4.0102 6.1868 122.5601 54.1231 44.4080 176.3261 *78 L 4.3897 8.6622 115.2246 53.9121 43.4763 176.7426 79 I 4.4584 8.1820 117.3807 59.0465 39.8566 174.3486 80 G 4.2715 8.7409 110.0732 42.0673 0.0000 171.1345 81 P 4.3987 0.0000 0.0000 62.8080 31.8713 178.2982 82 Q 4.0064 8.9318 123.7962 58.5774 28.4586 175.0382 83 D 4.5523 8.3491 115.4868 56.4017 39.6984 180.7222 84 E 3.6401 7.3902 118.8995 56.5189 29.8251 176.7830 85 H 3.6984 7.2878 116.4844 54.2162 30.9739 172.8919 86 W 4.7405 7.0122 124.1785 55.1088 30.8268 175.7599 87 D 4.6547 8.9173 121.9907 56.0637 41.5456 176.6713 88 H 4.9467 8.2244 115.2286 54.0537 33.3758 172.5000 89 V 5.0827 8.4172 122.2820 61.2164 34.5052 173.9995 90 F 5.1312 8.6313 120.9813 56.1862 41.8712 172.9560 91 I 4.8485 9.3490 120.9803 59.7288 39.3109 174.5556 92 A 5.0461 8.7943 129.1544 50.6292 21.3262 174.9382 93 E 4.9183 9.3719 122.8612 54.6251 32.2904 174.3902 94 Y 5.2126 8.8841 123.5214 55.5647 41.5238 175.0088 95 P 4.4767 0.0000 0.0000 64.7042 32.4370 176.8010 96 S 4.7999 7.7149 112.6478 56.2710 66.5258 176.0189 97 V 3.6418 8.3321 123.3909 65.0313 30.9919 178.4721 98 A 4.0389 8.0197 120.8290 54.7295 18.0858 179.1516 99 A 4.0073 7.6392 118.1995 55.3363 18.5838 179.2518 100 F 3.7169 7.9616 117.5142 61.3164 39.2740 177.1350 101 V 3.9572 8.0947 117.7702 65.9600 30.8992 179.2390 102 E 3.8404 8.0977 117.8891 56.5627 29.3852 178.9540 *104 I 3.1041 7.7947 120.7583 60.7738 39.0818 176.8659 105 R 4.3167 7.3037 116.6053 56.5563 30.9055 176.8114 106 D 4.4211 7.7148 118.8181 53.9037 42.2354 174.6233 107 P 4.2437 0.0000 0.0000 65.7525 31.5558 178.5017 108 V 3.6022 8.4798 117.2044 66.1243 31.4834 177.2506 109 Y 3.8783 8.0633 118.6665 60.8879 38.5154 177.7770 110 R 4.1179 8.8312 120.7355 60.4103 30.4256 179.1509 111 E 4.1062 8.4134 117.4139 61.0099 29.7023 180.6502 112 A 4.3420 7.9743 121.4347 54.0009 18.3535 179.7658 113 V 3.1693 7.7514 120.3368 64.4485 31.3528 179.0324 114 K 3.6068 7.3330 124.3080 60.1878 31.7625 182.9947 115 H 4.3206 7.5333 115.5523 58.7421 28.6909 177.8309 116 R 3.7225 7.4242 119.8285 59.5493 29.5661 178.1583 117 Q 3.8847 8.3106 116.9884 58.8531 28.8962 178.4293 118 A 4.0459 7.6117 119.9452 53.4142 18.6526 178.6996 119 A 4.3134 7.8074 118.8786 52.1268 19.6248 177.1001 120 V 4.1682 7.4326 119.7313 62.9896 32.4175 176.1082 121 E 4.3170 8.8846 126.0501 59.4572 30.4360 173.2418 122 D 4.8544 7.8831 116.4185 53.5590 44.5722 174.5845 123 S 5.3967 8.9323 118.0258 57.3100 66.8039 173.1716 124 R 4.6219 8.8229 118.5348 54.3976 34.2860 174.9186 125 L 4.7665 8.3701 123.7888 53.9985 44.2611 174.8046 126 I 4.4888 8.6192 127.8775 59.4108 39.3441 175.4019 127 R 4.6167 8.5406 126.8339 55.2289 31.2478 175.2859 128 L 4.8065 9.1786 128.6363 53.4574 45.7116 176.9435 129 K 4.6229 8.6608 125.2232 52.1838 31.2149 173.0492 130 P 4.3110 0.0000 0.0000 62.1423 31.5559 175.5352 131 L 4.7594 8.0050 121.1444 52.8948 45.3639 176.8490 132 K 4.1408 8.3944 121.4911 53.6881 32.0489 174.0694 133 P 4.4458 0.0000 0.0000 62.2247 31.2296 176.0917 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 T 8.16 4.31 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 3 G 7.58 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 0.00 0.00 0.00 4 H 10.96 4.75 0.00 3.37 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.44 4.15 1.85 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 1.43 0.57 0.89 0.00 0.00 6 D 7.55 4.83 0.00 2.53 2.44 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 7 P 0.00 4.49 0.00 1.93 1.82 0.00 3.60 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 8 T 8.24 4.34 4.35 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 1.26 0.00 0.00 9 K 8.73 4.01 0.00 1.75 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.14 7.81 10 E 8.12 4.22 0.00 2.13 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 2.40 1.93 0.00 11 V 7.79 3.82 2.13 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 1.09 0.00 0.00 0.97 0.00 0.00 12 F 8.55 4.66 0.00 3.20 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 13 A 7.85 3.90 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 14 Q 7.58 3.62 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 15 F 8.11 4.21 0.00 3.21 3.39 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 16 R 7.96 3.88 0.00 1.76 1.90 0.00 3.08 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 17 A 8.55 4.05 1.32 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 0.00 0.00 18 N 7.78 4.26 0.00 2.66 2.76 0.00 0.00 7.47 8.45 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 19 D 7.93 4.29 0.00 2.82 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 20 R 7.36 3.90 0.00 1.83 1.97 0.00 3.07 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 21 E 8.57 4.12 0.00 1.94 1.89 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 2.28 2.30 0.00 22 G 7.93 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 0.00 0.00 0.00 23 P 0.00 5.21 0.00 2.15 2.13 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 24 I 8.94 4.94 1.91 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 1.55 1.10 0.87 0.00 0.00 25 H 8.77 5.73 0.00 3.24 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.22 4.38 0.00 1.77 1.53 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.74 5.09 0.00 1.44 1.73 0.00 0.00 6.36 6.84 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 29 L 9.01 4.35 0.00 0.47 0.13 0.33 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.70 4.70 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 0.96 0.00 0.00 1.19 0.00 0.00 31 R 9.39 4.95 0.00 1.87 2.02 0.00 2.68 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 32 L 8.78 4.83 0.00 1.59 1.60 0.90 0.63 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 33 R 8.83 4.36 0.00 1.88 2.07 0.00 2.92 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 34 P 0.00 4.36 0.00 2.10 2.13 0.00 3.57 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 35 R 7.81 4.80 0.00 1.57 1.72 0.00 3.28 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 36 A 8.41 4.41 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 37 A 8.07 4.76 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.24 4.04 0.00 2.91 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 39 P 0.00 4.34 0.00 2.20 2.12 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 40 D 8.87 4.24 0.00 2.88 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 0.00 0.00 0.00 *43 E 9.27 4.29 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 44 T 7.42 4.30 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 45 T 8.09 4.64 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 46 G 8.68 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.17 4.16 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 48 E 8.24 3.95 0.00 2.03 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 2.19 0.00 49 A 8.16 4.42 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 0.00 0.00 0.00 0.00 0.00 50 Y 8.53 3.97 0.00 3.04 2.99 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 0.00 0.00 0.00 51 A 8.26 4.03 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 52 A 8.21 3.82 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.90 4.30 0.00 2.73 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 54 G 7.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.97 3.99 0.00 1.91 1.88 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 56 D 7.98 4.78 0.00 2.77 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 57 S 9.01 4.51 0.00 3.81 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 58 G 7.99 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 59 P 0.00 4.26 0.00 2.17 2.14 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 60 V 7.96 3.66 2.35 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 1.16 0.00 0.00 1.06 0.00 0.00 *61 F 8.47 4.24 0.00 2.33 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 0.00 0.00 0.00 0.00 62 E 8.88 4.17 0.00 1.92 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 2.25 2.20 0.00 63 R 7.62 4.12 0.00 2.01 2.21 0.00 3.24 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 1.67 1.69 0.00 64 L 7.83 4.45 0.00 1.77 1.78 0.94 1.05 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 65 G 7.86 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 0.00 0.00 0.00 66 G 8.22 3.42 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 0.00 67 K 8.37 4.69 0.00 1.41 1.61 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.25 7.81 68 V 8.36 4.16 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 0.94 0.00 0.00 0.94 0.00 0.00 69 V 8.87 3.85 2.36 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 0.92 0.00 0.00 1.05 0.00 0.00 70 W 7.75 5.32 0.00 3.43 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 71 Q 6.93 3.86 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 72 G 7.40 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 0.00 0.00 0.00 73 Q 8.28 4.65 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 74 F 8.97 4.18 0.00 3.19 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 75 E 8.13 4.56 0.00 1.78 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 2.17 2.37 0.00 76 L 6.19 4.01 0.00 1.41 0.94 0.94 0.90 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 *78 L 8.66 4.39 0.00 1.64 1.73 0.93 0.88 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 79 I 8.18 4.46 1.90 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 0.81 0.94 0.00 0.00 80 G 8.74 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.40 0.00 2.23 2.21 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 82 Q 8.93 4.01 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.98 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 83 D 8.35 4.55 0.00 2.68 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 84 E 7.39 3.64 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 85 H 7.29 3.70 0.00 2.59 2.88 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.01 4.74 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.92 4.65 0.00 2.67 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 88 H 8.22 4.95 0.00 3.09 3.36 0.00 5.75 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 89 V 8.42 5.08 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 1.36 0.00 0.00 1.17 0.00 0.00 90 F 8.63 5.13 0.00 3.27 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 91 I 9.35 4.85 2.23 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 1.26 1.04 1.09 0.00 0.00 92 A 8.79 5.05 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 93 E 9.37 4.92 0.00 1.84 1.79 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 2.17 2.27 0.00 94 Y 8.88 5.21 0.00 3.15 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 95 P 0.00 4.48 0.00 2.24 2.23 0.00 4.04 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 96 S 7.71 4.80 0.00 4.05 3.99 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 0.00 0.00 0.00 97 V 8.33 3.64 1.89 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 0.74 0.00 0.00 0.32 0.00 0.00 98 A 8.02 4.04 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 99 A 7.64 4.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.96 3.72 0.00 2.88 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 0.00 101 V 8.09 3.96 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 0.96 0.00 0.00 1.02 0.00 0.00 102 E 8.10 3.84 0.00 2.28 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 2.43 2.52 0.00 *104 I 7.79 3.10 2.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.87 0.92 0.00 0.00 105 R 7.30 4.32 0.00 1.93 1.97 0.00 3.26 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 106 D 7.71 4.42 0.00 2.63 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 0.00 107 P 0.00 4.24 0.00 2.22 2.10 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 108 V 8.48 3.60 2.13 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 1.01 0.00 0.00 1.03 0.00 0.00 109 Y 8.06 3.88 0.00 3.14 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 0.00 110 R 8.83 4.12 0.00 2.08 2.06 0.00 3.25 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 111 E 8.41 4.11 0.00 1.99 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 2.24 2.19 0.00 112 A 7.97 4.34 1.30 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 0.00 0.00 113 V 7.75 3.17 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 0.79 0.00 0.00 0.72 0.00 0.00 114 K 7.33 3.61 0.00 1.82 1.80 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 115 H 7.53 4.32 0.00 3.32 3.59 0.00 5.59 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 0.00 116 R 7.42 3.72 0.00 0.67 1.24 0.00 2.96 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 117 Q 8.31 3.88 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 118 A 7.61 4.05 0.64 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 0.00 119 A 7.81 4.31 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 0.00 0.00 0.00 0.00 0.00 120 V 7.43 4.17 2.13 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 0.94 0.00 0.00 1.17 0.00 0.00 121 E 8.88 4.32 0.00 1.81 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 2.25 2.13 0.00 122 D 7.88 4.85 0.00 2.81 2.57 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 0.00 123 S 8.93 5.40 0.00 3.99 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 0.00 124 R 8.82 4.62 0.00 1.25 1.62 0.00 3.19 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 125 L 8.37 4.77 0.00 1.53 1.47 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.62 4.49 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.67 0.89 0.00 0.00 127 R 8.54 4.62 0.00 1.95 1.90 0.00 2.98 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 128 L 9.18 4.81 0.00 1.73 1.47 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.66 4.62 0.00 1.77 1.64 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 0.98 7.81 130 P 0.00 4.31 0.00 2.06 1.69 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 131 L 8.01 4.76 0.00 1.56 1.56 0.88 0.84 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 0.00 132 K 8.39 4.14 0.00 1.77 1.61 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.03 7.81 133 P 0.00 4.45 0.00 2.02 2.00 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.