NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5813 8.1933 115.4195 57.7107 64.7300 174.4123 9 L 4.1540 8.6567 121.6585 57.7747 41.3322 176.5673 10 E 4.0364 8.5083 118.2856 59.5098 29.8538 178.7510 11 S 3.9810 8.2299 113.0515 61.2831 62.3632 176.2357 12 W 4.2534 8.2994 121.4316 59.7383 28.8682 178.3090 13 L 3.5142 8.2453 120.1592 58.1866 41.2862 178.6614 14 N 4.2338 8.1683 115.4709 56.2850 38.7733 177.2068 15 K 3.8272 7.7101 119.2750 58.9839 31.9134 179.0781 16 A 4.2924 7.9064 119.8541 53.8914 18.0541 178.0062 17 T 4.1595 7.4711 106.0138 60.6099 69.9617 173.0950 18 N 4.4035 7.5614 120.5196 53.7374 39.0463 174.0577 19 P 4.4798 0.0000 0.0000 65.0390 31.6467 177.6049 20 S 4.3847 7.9664 113.3090 60.3349 62.6896 174.3811 21 N 4.3572 8.1204 118.4671 54.0861 38.5740 176.0763 22 R 4.1001 8.8432 121.9061 58.1515 30.6092 175.9442 23 Q 4.8471 7.3744 114.2580 55.1640 31.4592 173.4833 24 E 3.9614 9.2313 118.2594 57.1447 29.9816 177.8947 25 D 4.9417 8.1322 122.2947 51.8198 41.8880 176.9371 26 W 4.1393 8.6307 124.8213 58.7421 29.2455 177.5272 27 E 3.9263 8.1883 119.6317 59.5935 29.1826 178.1532 28 Y 4.8410 7.8303 116.1094 60.7948 38.1549 178.0473 29 I 3.6668 7.5924 120.6665 64.5335 37.1508 178.5062 30 I 3.8454 8.1525 120.9378 64.2351 36.9138 178.6329 31 G 2.2609 7.8078 106.5852 47.2815 0.0000 175.4559 32 F 4.0017 7.9553 122.8386 61.0350 39.3834 177.0170 33 C 3.7668 7.6611 115.8207 62.9674 27.8290 175.9561 34 D 4.2094 7.9951 120.5863 57.0000 40.2574 178.7473 35 Q 3.7927 7.4722 120.2346 59.0937 28.8544 178.0566 36 I 3.4799 6.9312 119.4354 64.6564 37.5614 178.0083 37 N 4.3649 7.9400 116.7232 55.8264 38.0043 177.4587 38 K 4.0179 7.3894 119.2450 57.6003 33.1369 177.3722 39 E 4.3096 7.7123 118.9402 55.1706 30.3743 177.4849 40 L 3.9690 8.6012 124.7885 57.5275 42.5822 177.4634 41 E 4.9332 7.4583 115.5511 55.0784 30.4815 177.7024 42 G 3.6898 7.9758 108.4672 47.6136 0.0000 174.3907 43 P 4.3690 0.0000 0.0000 65.4784 30.9728 178.8354 44 Q 3.9657 7.9475 116.2115 58.7957 28.6468 178.8465 45 I 3.6332 7.9799 120.7259 64.1736 37.2556 178.0722 46 A 4.2984 8.4124 122.0438 55.6523 18.2736 180.1765 47 V 3.5841 7.7422 110.5788 64.4761 31.4772 179.1617 48 R 4.1133 7.6833 117.7068 59.1364 30.0334 178.9905 49 L 4.0855 8.1300 118.8261 57.8644 41.5962 179.6550 50 L 4.0375 8.8163 119.0059 57.6688 41.3824 179.0777 51 A 4.1480 8.4507 120.1453 55.7304 18.6880 178.9591 52 H 4.2966 8.1946 115.8465 59.5115 30.1627 177.6781 53 K 3.9301 8.0127 120.0269 59.5283 31.6052 179.4268 54 I 3.8648 8.0976 119.5703 63.5924 36.9803 176.8240 55 Q 4.4437 7.3156 116.4754 55.4085 28.7620 175.7501 56 S 4.2010 7.5543 113.2521 57.8252 62.7666 172.8377 57 P 4.3533 0.0000 0.0000 64.6173 31.5592 176.9476 58 Q 4.3301 7.9374 118.4370 54.2098 27.7198 175.8189 59 E 3.9044 8.7747 124.1001 59.2183 29.8465 178.3473 60 W 4.8323 8.3638 127.6735 60.5087 30.7562 177.3872 61 E 3.9430 8.8227 120.6853 58.6021 29.0453 178.7196 62 A 4.1072 7.8959 120.3115 55.1132 18.5632 179.3677 63 L 3.9688 8.4122 117.9358 58.2342 41.6796 179.8982 64 Q 3.6283 7.7884 117.6069 58.5732 28.3723 178.6403 65 A 3.8380 7.6975 121.9558 55.1124 18.3866 179.7271 66 L 4.0468 8.1833 117.6347 58.0695 41.6248 179.9194 67 T 3.9080 7.7489 115.9545 66.4949 68.3121 176.9202 68 V 3.4455 7.8683 120.4285 65.7469 31.3085 177.6147 69 L 4.1006 8.0101 119.2272 58.4191 42.0292 178.2591 70 E 4.3141 8.3209 117.5137 59.4236 29.8339 178.3481 71 A 4.3245 8.2493 120.8499 55.0272 18.4903 179.9981 72 C 4.0832 8.3400 116.0622 59.6407 27.8463 176.1394 *74 K 4.3520 8.0674 121.6532 55.9991 33.6110 176.7231 75 N 4.7174 8.2076 113.5191 53.4859 40.0187 175.2337 76 C 4.9661 8.0089 115.4820 57.6371 28.7859 175.4454 77 G 3.7217 7.8081 110.3072 45.6035 0.0000 173.9034 78 R 3.8590 8.3847 116.3184 59.4702 29.5817 179.4774 79 R 3.8555 7.8959 115.4752 59.1381 29.3317 178.5309 80 F 3.9016 7.7431 119.9702 61.1943 39.3557 176.9594 81 H 3.9742 8.0001 115.8647 59.0523 28.2429 177.5237 82 N 4.3609 8.1886 117.5524 56.0057 38.3345 176.8842 83 E 3.9801 6.9569 119.2416 58.8548 29.9008 178.8814 84 V 3.3377 7.1169 118.4608 65.1370 31.1315 177.1964 85 G 4.0130 7.7558 104.1162 43.9165 0.0000 173.0892 86 K 4.5187 7.2224 119.6139 53.6783 34.8258 177.6313 87 F 4.5376 8.4704 121.0508 60.6323 38.4972 177.8323 88 R 3.9253 8.1667 117.4760 59.0849 30.0980 177.4233 89 F 4.5473 7.9551 119.1714 60.5656 40.0266 177.2200 90 L 3.9252 8.4138 118.9993 58.2503 41.4414 179.4225 91 N 4.3408 8.5779 116.3220 56.2723 38.1712 177.3170 92 E 3.8973 7.7296 119.4162 59.0917 29.6477 179.0892 93 L 4.0186 7.2991 118.6751 57.7772 41.7734 179.1776 94 I 3.6379 7.6961 119.6928 64.4313 36.9718 178.6219 95 K 3.7084 7.8599 119.0833 58.9762 31.5584 179.3412 96 V 3.7615 7.8058 117.9712 64.7179 31.5217 176.7721 97 V 4.2605 7.4705 109.1579 61.2698 33.8365 175.6778 98 S 4.4379 8.3083 116.3324 56.9915 62.8184 172.9942 99 P 4.2344 0.0000 0.0000 65.5365 31.2794 178.3098 100 K 3.8533 8.0977 117.4686 58.2871 33.3695 176.0573 101 Y 4.4292 7.9759 111.4463 58.2882 38.9148 175.7273 102 L 4.5623 5.7382 131.3246 55.1335 44.2674 178.8600 103 G 4.0317 8.8970 109.5955 48.9002 0.0000 175.8149 104 D 4.4178 8.1661 118.3003 56.1488 40.9380 177.3871 105 R 4.4976 8.0525 116.2788 55.5599 30.5058 175.6449 106 V 4.3786 7.2927 118.1699 60.5256 33.5773 176.3391 107 S 4.3373 8.4322 121.5765 58.6392 64.8018 175.1151 108 E 4.0308 8.6589 122.6312 58.8890 29.3647 179.2079 109 K 3.9407 7.9882 118.4842 59.3779 32.1650 179.1076 110 V 3.5756 7.6178 117.8510 65.9605 31.5268 177.7883 111 K 3.8901 7.9248 119.0871 60.0572 32.0137 178.8447 112 T 3.9255 8.4428 116.3237 66.3440 68.2488 176.7617 113 K 3.9635 8.3410 121.9134 59.3689 32.2386 179.1268 114 V 3.5006 8.1456 118.9635 66.0448 31.4590 178.1084 115 I 3.7534 7.8537 119.5697 64.2366 36.9479 177.9401 116 E 3.9358 8.2265 120.1297 59.3746 29.4938 178.9608 117 L 3.4674 7.8557 119.0013 57.3311 41.5007 179.3666 118 L 3.6073 7.4031 118.7915 58.0215 41.4294 179.0729 119 Y 3.4211 7.6353 117.8119 60.4411 38.7161 177.5643 120 S 3.9492 7.6315 113.3016 61.0851 62.7027 175.9492 121 W 4.6060 7.8110 121.9792 59.5482 28.4785 178.8177 122 T 4.0049 7.2095 105.0098 62.7043 67.8774 174.9059 *124 A 4.3292 7.9213 125.9287 52.0360 20.5269 177.7457 125 L 4.6281 8.0399 117.0881 51.8016 41.2194 174.9829 126 P 4.2475 0.0000 0.0000 65.5418 31.7104 178.0207 127 E 4.0370 8.1204 115.4382 59.2364 29.7463 177.6248 128 E 4.1783 7.7847 121.1292 54.5800 28.2188 176.3677 129 A 4.0132 8.0092 125.1482 54.7980 18.8720 179.2946 130 K 3.9525 7.9049 116.3961 59.4659 31.9201 179.3993 131 I 3.7971 7.4325 120.2282 64.4316 37.0787 178.5767 132 K 4.0326 8.0550 118.7648 59.4050 31.6376 179.0740 133 D 4.4229 7.8335 117.9172 57.3966 40.9329 178.1966 134 A 4.3248 8.4486 120.2894 55.3672 18.3704 178.8410 135 Y 4.2497 8.5462 118.2667 61.0842 38.9327 179.3773 136 H 4.0969 8.7185 117.2799 56.1332 29.3814 177.3389 *138 L 4.2670 7.9964 122.6704 54.8505 43.8694 179.7806 139 K 4.4240 7.8873 117.3366 58.8771 32.0544 179.5466 140 R 3.8732 7.5001 113.3243 58.6165 29.3271 177.1617 141 Q 4.2864 8.1092 116.0704 55.2829 29.2676 177.0513 142 G 3.9236 8.6364 107.2763 45.4237 0.0000 175.0031 143 I 3.6595 7.1761 119.8153 63.4424 37.5145 176.1240 144 V 4.2029 7.5300 121.2402 60.8271 32.2368 175.9724 145 Q 3.9708 8.7468 127.3266 58.5751 28.7964 176.8672 146 S 4.5980 7.4210 108.4608 56.3846 65.8746 173.2762 147 D 4.2508 8.7218 120.8547 53.4395 40.8190 175.0957 148 P 4.5901 0.0000 0.0000 60.9285 32.7860 173.9851 149 P 4.5947 0.0000 0.0000 62.6064 32.1521 175.4563 150 I 4.7609 7.8189 111.8218 58.3143 40.7498 173.1883 151 P 4.4239 0.0000 0.0000 63.0244 31.6768 176.1537 152 V 4.5452 7.7069 113.5756 60.2493 35.7515 173.3945 153 D 4.4861 7.9352 119.0672 52.9754 41.4355 176.0435 154 R 4.0318 8.3085 117.5905 59.3907 30.0503 178.6102 155 T 4.1796 8.2553 106.7493 61.4981 68.5436 174.6490 156 L 4.1106 7.8307 127.9740 55.8904 42.9717 175.3545 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 8 S 8.19 4.58 0.00 4.25 4.09 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 0.00 0.00 0.00 9 L 8.66 4.15 0.00 1.94 2.04 0.93 0.31 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 10 E 8.51 4.04 0.00 2.08 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 2.43 2.49 0.00 11 S 8.23 3.98 0.00 3.77 3.95 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 0.00 0.00 0.00 12 W 8.30 4.25 0.00 3.92 3.44 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 13 L 8.25 3.51 0.00 1.27 1.60 0.05 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.17 4.23 0.00 2.59 2.77 0.00 0.00 7.15 7.17 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 15 K 7.71 3.83 0.00 1.18 0.74 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.02 1.31 7.81 16 A 7.91 4.29 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 17 T 7.47 4.16 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 0.98 0.00 0.00 18 N 7.56 4.40 0.00 2.89 2.87 0.00 0.00 7.22 7.59 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 19 P 0.00 4.48 0.00 2.12 2.18 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 20 S 7.97 4.38 0.00 3.88 3.96 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 21 N 8.12 4.36 0.00 2.94 3.18 0.00 0.00 6.85 6.96 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 22 R 8.84 4.10 0.00 1.88 2.04 0.00 3.28 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 23 Q 7.37 4.85 0.00 2.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 24 E 9.23 3.96 0.00 2.16 1.67 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 2.23 2.67 0.00 25 D 8.13 4.94 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.63 4.14 0.00 3.44 3.34 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 27 E 8.19 3.93 0.00 1.96 1.63 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 2.20 2.32 0.00 28 Y 7.83 4.84 0.00 3.27 3.12 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 29 I 7.59 3.67 1.83 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.64 0.00 0.00 30 I 8.15 3.85 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.10 0.85 0.00 0.00 31 G 7.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.96 4.00 0.00 3.27 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 33 C 7.66 3.77 0.00 3.09 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 34 D 8.00 4.21 0.00 2.45 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.47 3.79 0.00 1.98 1.94 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 2.54 2.53 0.00 36 I 6.93 3.48 1.68 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.01 0.78 0.00 0.00 37 N 7.94 4.36 0.00 2.76 2.77 0.00 0.00 7.08 7.07 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 38 K 7.39 4.02 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.58 7.81 39 E 7.71 4.31 0.00 2.05 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 0.00 2.40 2.36 0.00 40 L 8.60 3.97 0.00 1.57 1.69 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.46 4.93 0.00 1.99 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 2.16 0.00 42 G 7.98 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 43 P 0.00 4.37 0.00 2.10 2.18 0.00 3.52 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 2.09 2.20 0.00 44 Q 7.95 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.81 0.00 45 I 7.98 3.63 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.98 0.00 0.00 46 A 8.41 4.30 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 47 V 7.74 3.58 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 -0.09 0.00 0.00 0.89 0.00 0.00 48 R 7.68 4.11 0.00 1.94 2.04 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 49 L 8.13 4.09 0.00 2.21 1.82 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.82 4.04 0.00 2.03 1.93 1.24 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.45 4.15 1.54 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 52 H 8.19 4.30 0.00 3.30 3.54 0.00 5.79 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 53 K 8.01 3.93 0.00 1.94 1.77 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.54 7.81 54 I 8.10 3.86 2.07 0.00 0.00 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 1.59 0.74 0.93 0.00 0.00 55 Q 7.32 4.44 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 56 S 7.55 4.20 0.00 3.84 3.78 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 57 P 0.00 4.35 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 58 Q 7.94 4.33 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 59 E 8.77 3.90 0.00 2.08 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 2.53 2.50 0.00 60 W 8.36 4.83 0.00 3.32 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 61 E 8.82 3.94 0.00 2.04 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 2.20 2.33 0.00 62 A 7.90 4.11 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 63 L 8.41 3.97 0.00 2.11 1.95 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.79 3.63 0.00 1.57 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 65 A 7.70 3.84 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 66 L 8.18 4.05 0.00 1.89 1.79 0.95 0.76 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 67 T 7.75 3.91 4.22 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 0.92 0.00 0.00 68 V 7.87 3.45 2.10 0.00 0.00 0.00 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 0.69 0.00 0.00 69 L 8.01 4.10 0.00 1.93 2.10 1.21 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.32 4.31 0.00 2.28 2.29 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 2.48 2.52 0.00 71 A 8.25 4.32 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 72 C 8.34 4.08 0.00 2.58 1.18 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 *74 K 8.07 4.35 0.00 1.94 1.94 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.49 7.81 75 N 8.21 4.72 0.00 2.65 2.74 0.00 0.00 6.92 7.28 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 76 C 8.01 4.97 0.00 2.48 2.66 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 77 G 7.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.38 3.86 0.00 1.87 1.90 0.00 3.17 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 79 R 7.90 3.86 0.00 2.03 2.13 0.00 2.97 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 80 F 7.74 3.90 0.00 3.18 3.09 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 0.00 0.00 0.00 81 H 8.00 3.97 0.00 3.26 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.19 4.36 0.00 2.72 2.78 0.00 0.00 7.09 7.33 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 83 E 6.96 3.98 0.00 1.34 1.67 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 2.33 2.21 0.00 84 V 7.12 3.34 1.59 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 0.43 0.00 0.00 -0.13 0.00 0.00 85 G 7.76 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 86 K 7.22 4.52 0.00 1.88 1.68 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.49 7.81 87 F 8.47 4.54 0.00 3.11 3.05 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 0.00 0.00 0.00 88 R 8.17 3.93 0.00 1.87 2.04 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 89 F 7.96 4.55 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.41 3.93 0.00 1.80 1.83 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.58 4.34 0.00 2.77 2.78 0.00 0.00 7.03 8.40 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 92 E 7.73 3.90 0.00 1.80 1.88 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 2.44 2.49 0.00 93 L 7.30 4.02 0.00 1.74 1.64 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.70 3.64 1.87 0.00 0.00 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 1.53 0.88 0.83 0.00 0.00 95 K 7.86 3.71 0.00 1.86 1.77 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.78 1.34 7.81 96 V 7.81 3.76 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 0.83 0.00 0.00 0.98 0.00 0.00 97 V 7.47 4.26 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 0.81 0.00 0.00 0.97 0.00 0.00 98 S 8.31 4.44 0.00 3.98 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 99 P 0.00 4.23 0.00 2.21 2.08 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 100 K 8.10 3.85 0.00 1.56 1.63 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.47 1.14 7.81 101 Y 7.98 4.43 0.00 3.06 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 0.00 102 L 5.74 4.56 0.00 1.92 1.71 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.90 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 0.00 104 D 8.17 4.42 0.00 2.68 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 0.00 105 R 8.05 4.50 0.00 1.78 1.94 0.00 3.13 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 106 V 7.29 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.03 0.00 0.00 107 S 8.43 4.34 0.00 4.11 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 0.00 108 E 8.66 4.03 0.00 2.11 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 2.38 2.46 0.00 109 K 7.99 3.94 0.00 1.88 1.89 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.52 7.81 110 V 7.62 3.58 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 1.10 0.00 0.00 0.97 0.00 0.00 111 K 7.92 3.89 0.00 1.91 2.00 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 112 T 8.44 3.93 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 1.22 0.00 0.00 113 K 8.34 3.96 0.00 1.98 1.98 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 114 V 8.15 3.50 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 0.95 0.00 0.00 0.98 0.00 0.00 115 I 7.85 3.75 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.77 1.00 0.00 0.00 116 E 8.23 3.94 0.00 2.08 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 0.00 2.25 2.36 0.00 117 L 7.86 3.47 0.00 1.33 0.38 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.40 3.61 0.00 1.97 1.80 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.64 3.42 0.00 2.57 2.84 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 0.00 0.00 0.00 120 S 7.63 3.95 0.00 3.88 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 0.00 121 W 7.81 4.61 0.00 3.58 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 0.00 122 T 7.21 4.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 *124 A 7.92 4.33 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.04 4.63 0.00 1.74 1.64 0.56 0.82 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 0.00 126 P 0.00 4.25 0.00 2.02 2.12 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 127 E 8.12 4.04 0.00 1.90 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 2.29 2.34 0.00 128 E 7.78 4.18 0.00 1.92 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 2.15 2.18 0.00 129 A 8.01 4.01 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 0.00 130 K 7.90 3.95 0.00 1.59 0.78 0.00 1.58 0.00 0.00 1.10 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.33 7.81 131 I 7.43 3.80 2.06 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 1.63 0.67 1.19 0.00 0.00 132 K 8.06 4.03 0.00 2.00 1.77 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 133 D 7.83 4.42 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 0.00 134 A 8.45 4.32 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 0.00 135 Y 8.55 4.25 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.72 4.10 0.00 3.45 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 L 8.00 4.27 0.00 1.65 1.66 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.89 4.42 0.00 1.83 1.73 0.00 1.43 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 0.92 7.81 140 R 7.50 3.87 0.00 1.88 2.07 0.00 3.05 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 141 Q 8.11 4.29 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.66 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 142 G 8.64 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 0.00 143 I 7.18 3.66 2.01 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 1.20 0.46 0.95 0.00 0.00 144 V 7.53 4.20 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 0.92 0.00 0.00 0.85 0.00 0.00 145 Q 8.75 3.97 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 146 S 7.42 4.60 0.00 3.88 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 0.00 147 D 8.72 4.25 0.00 2.47 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 0.00 0.00 0.00 148 P 0.00 4.59 0.00 2.16 2.01 0.00 3.06 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 149 P 0.00 4.59 0.00 2.22 2.10 0.00 3.70 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 2.00 1.95 0.00 150 I 7.82 4.76 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 1.13 0.00 0.00 151 P 0.00 4.42 0.00 2.09 2.06 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 152 V 7.71 4.55 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 0.84 0.00 0.00 0.94 0.00 0.00 153 D 7.94 4.49 0.00 2.70 2.62 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 0.00 154 R 8.31 4.03 0.00 1.86 2.02 0.00 3.28 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 155 T 8.26 4.18 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 0.00 156 L 7.83 4.11 0.00 1.79 1.52 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.