NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2290 8.1749 115.2450 61.7778 68.4934 172.8353 3 I 4.0299 8.1030 126.9381 60.0204 37.9893 173.7319 4 H 4.9012 9.5920 123.8711 53.8064 31.5787 173.5334 5 K 5.1109 8.4500 122.3704 53.3327 35.6565 175.5075 6 K 4.7669 8.8445 120.9014 54.6229 35.8101 175.2301 7 G 4.6526 8.5865 108.9462 44.7540 0.0000 171.2712 8 Q 4.9102 9.2132 117.6546 54.9407 32.5656 173.2828 9 A 5.2329 8.3307 119.7758 51.2101 22.5153 175.0175 10 H 5.1081 9.6111 118.8868 54.3261 33.5904 172.1431 11 W 5.4790 8.4706 133.3559 55.7341 34.2852 173.6055 12 E 4.5574 7.5921 122.8430 55.8135 32.7577 176.8651 13 S 4.1733 8.7195 116.8342 57.4990 62.2247 168.7910 14 D 4.8513 8.1731 118.3057 52.9569 41.0193 175.9562 15 I 4.1335 8.4567 120.2302 64.3147 38.3640 178.1499 *16 K 4.1954 8.3108 123.1320 56.7576 31.9683 181.5648 *17 R 4.5160 9.7657 115.4441 55.8367 30.7759 178.5406 18 G 4.5406 8.1757 103.4815 45.7981 0.0000 172.6153 19 K 3.8088 7.4488 117.6829 55.3834 36.7366 174.9259 20 G 4.4765 7.5511 107.0896 45.4715 0.0000 171.3813 21 T 5.7114 9.4428 109.3055 59.9799 72.7621 173.3642 22 V 4.9482 8.9542 121.5850 60.3668 34.9712 174.6023 23 S 5.1956 9.2958 118.2999 57.3594 68.0760 172.7797 24 T 5.0183 8.6128 110.8129 59.6179 71.5646 174.8688 25 E 4.1420 8.8497 121.4992 59.5083 30.0655 179.3902 26 S 4.0830 8.1813 113.9685 59.5511 63.3236 175.2284 27 G 4.0034 8.0788 109.1346 45.0955 0.0000 174.7652 28 V 3.7015 7.4650 112.5790 63.4527 31.9610 176.4829 29 L 4.5860 7.9326 120.1030 52.7969 43.0633 175.0058 30 N 5.0642 8.2196 121.4332 52.2624 39.9627 173.4932 31 Q 3.4472 8.9991 128.3701 56.5800 27.2648 174.6236 32 Q 4.2055 8.3031 119.1722 55.3673 30.2376 173.9220 33 P 5.1366 0.0000 0.0000 63.3726 32.1289 175.0325 34 Y 4.8064 8.2204 119.4105 56.8588 41.9175 174.4745 35 G 4.2289 8.5249 107.1093 44.7028 0.0000 173.4379 36 F 4.3204 9.0275 120.1511 61.3443 39.2409 177.3971 37 N 4.3737 8.4386 116.4172 56.5851 36.8760 177.2377 38 T 4.7237 7.7935 112.3417 62.9748 69.0816 175.7801 39 R 3.8306 7.6489 120.7787 57.7668 30.4408 176.7733 40 F 4.5736 7.7877 114.5369 57.2664 40.9463 175.9629 41 E 4.4001 8.1253 119.3579 55.4128 29.5476 177.2048 42 G 3.7903 8.1022 105.7830 45.7583 0.0000 173.7471 43 E 4.0320 7.5253 120.9823 55.0859 30.1906 176.1538 44 K 4.1335 8.7807 127.1234 55.4976 32.6295 176.1019 45 G 4.2789 8.1564 116.6132 44.8292 0.0000 171.5432 46 T 4.3316 8.0886 114.6142 61.5614 67.9583 173.0315 47 N 4.6474 7.9524 120.3207 50.4005 40.8067 173.5349 48 P 4.1340 0.0000 0.0000 65.6361 31.2452 178.7812 49 E 3.9141 8.0296 117.0968 59.4813 29.3609 179.1866 50 E 3.9450 8.8657 117.9031 59.2408 29.5160 179.1684 51 L 3.9679 7.6056 119.8598 57.6848 41.6077 179.4532 52 I 3.7916 8.0087 120.0385 64.2006 36.9251 178.7133 53 G 3.5904 8.3078 106.6095 47.7284 0.0000 175.5883 54 A 3.9875 8.6279 123.4468 54.7532 18.3783 179.5036 55 A 3.9546 8.2581 119.5478 55.5561 18.4771 179.3647 56 H 4.1767 8.5043 116.5543 59.4430 29.9460 177.2359 57 A 4.0598 8.3669 122.6746 55.2038 17.9708 179.4893 58 A 3.9487 7.9259 118.0951 55.4226 18.5538 179.1913 59 C 4.2198 8.1094 116.1483 62.4551 31.9367 175.1493 60 F 4.3816 8.7683 122.6418 61.4185 39.0100 178.2201 61 S 4.0844 8.1847 111.2828 59.2064 62.0342 175.9734 *63 A 4.1825 7.9626 127.1221 52.1587 20.3304 179.7016 64 L 3.5373 7.6717 116.7317 58.1840 42.5515 178.1325 65 S 4.1685 7.9871 113.1542 61.4192 62.4915 176.4114 66 L 4.0214 7.3468 117.6830 56.1443 41.5448 178.1888 *68 L 4.3666 8.0995 118.9449 54.4453 43.6384 179.3786 69 G 3.8717 8.1835 107.4398 48.0594 0.0000 175.4126 70 E 3.9032 8.3433 118.1743 58.1152 29.4798 177.4409 71 A 4.4854 7.9805 119.8023 51.5335 19.5360 176.8712 72 G 3.6566 8.3416 104.3953 46.3421 0.0000 173.7826 73 F 4.9308 8.6103 119.6226 55.9978 42.2109 175.3750 *74 T 4.7289 8.4710 115.1340 58.0643 70.7611 172.6178 75 P 4.5529 0.0000 0.0000 61.9091 32.2529 176.6062 76 T 4.2461 9.0409 120.9828 66.4387 69.0216 175.0988 77 S 4.7257 7.6840 113.4434 57.2673 66.3485 173.5371 78 I 5.0737 8.3181 121.9882 59.8300 40.5275 174.3552 79 D 4.9084 9.2053 126.6690 52.9387 43.8211 174.9365 80 T 5.2652 8.7141 119.8369 61.9691 71.7442 173.8110 81 T 4.7653 9.2513 121.3030 61.6153 72.3209 172.9235 82 A 4.9020 8.5450 126.0801 50.2679 21.5969 175.0293 83 D 4.6243 9.1356 124.0970 53.2265 42.5485 175.2715 84 V 4.5526 8.2843 126.7012 61.8377 33.1419 174.9619 85 S 4.6935 9.2849 124.6632 57.0208 64.8062 172.8854 86 L 4.8031 8.6245 126.8879 53.6692 43.3648 175.0137 87 D 5.0460 8.9586 126.6299 52.7265 43.5295 175.6827 88 K 4.0186 8.4791 122.4940 55.6443 33.2278 176.2066 89 V 4.4849 8.1900 119.8452 59.1671 35.8002 176.2139 90 D 4.2455 8.8348 119.8399 57.8689 40.4648 178.8203 91 A 4.0721 7.9744 119.3981 53.5474 19.3632 176.1049 92 G 3.8951 6.6267 109.2627 44.3309 0.0000 174.0950 93 F 5.2104 8.1519 117.2367 56.0407 44.4809 173.3925 94 A 4.5642 8.6598 120.7206 51.4246 22.9286 176.2564 95 I 5.1026 8.7536 122.4342 60.1329 36.5574 175.5879 96 T 4.2850 8.4594 118.5755 63.4230 70.5887 174.4358 97 K 4.9642 7.6475 120.9684 55.4285 36.1414 174.2684 98 I 5.0054 8.7761 125.6169 59.5775 40.8982 174.2697 99 A 4.8036 9.0812 130.2958 49.7920 20.4331 175.5800 100 L 4.7929 8.7012 123.6393 53.8699 43.8801 176.0865 101 K 5.0057 9.1064 124.7089 54.7494 35.2416 174.6863 102 S 5.3453 9.1810 121.8389 56.5516 66.4096 172.2918 103 E 5.2308 9.4440 125.8692 54.7094 32.0670 175.0761 104 V 4.9988 8.8356 124.3787 60.8536 35.3177 174.1521 105 A 5.5454 8.7863 128.4875 49.3547 21.5960 175.4666 106 V 4.5214 7.9099 121.8640 60.8147 33.4999 173.2134 107 P 4.0489 0.0000 0.0000 64.2777 31.5520 176.9248 108 G 3.9729 8.6303 111.6192 46.4326 0.0000 172.5393 109 I 4.2736 6.7500 115.2692 58.6024 39.6525 175.2126 110 D 4.4403 8.4112 125.3738 54.0548 42.7885 177.0131 111 A 4.0528 8.7347 128.4078 55.4717 18.5121 179.8896 112 S 4.0924 8.2555 110.9442 61.8760 62.5578 176.1961 113 T 3.8959 8.4103 118.6651 66.5790 68.1302 176.3018 114 F 3.9319 8.5234 122.7926 61.2482 39.4059 176.3501 115 D 4.3251 8.1331 117.3506 57.4566 41.0563 178.5053 116 G 3.6536 7.8709 105.4762 47.9988 0.0000 175.6521 117 I 3.5872 7.2726 122.2926 64.0288 37.1424 178.5109 118 I 3.3968 7.3772 119.7330 63.8036 37.7305 177.9991 119 Q 4.0121 8.0824 119.3124 58.6951 28.5443 178.6013 120 K 3.9487 7.9360 119.1345 59.4686 32.2074 179.2769 121 A 4.0848 7.9740 121.0719 54.8963 18.0113 179.5599 122 K 4.0715 8.2173 117.3300 59.0979 32.3658 178.0206 123 A 4.6189 7.9391 118.5061 52.5998 19.8336 178.3200 124 G 3.8369 8.3705 103.4749 45.0382 0.0000 174.3833 125 C 4.3630 7.4073 115.6715 57.4038 30.5230 172.7278 126 P 4.2184 0.0000 0.0000 66.1362 30.6450 179.1412 127 V 3.5604 7.6934 114.8423 66.0122 31.9175 177.6287 128 S 4.2270 8.1092 114.3981 61.9354 62.5605 176.6732 129 Q 4.0843 8.1164 119.3235 58.2794 28.4904 178.3903 130 V 3.9961 7.2847 117.6408 61.2191 32.4680 175.9132 131 L 4.5188 7.0529 119.9981 53.7069 42.7600 176.7119 132 K 4.2137 8.4234 120.5540 57.4081 32.9992 177.0443 133 A 4.2784 7.6920 119.7539 51.3866 19.4339 176.7910 134 E 4.0974 9.0088 121.1224 56.3077 30.9576 175.7021 135 I 5.0324 8.3925 127.1700 59.7983 39.6420 174.8889 136 T 4.7231 8.5060 117.0140 59.7656 72.0652 173.0054 137 L 5.0548 8.2798 123.4608 53.5643 45.3978 175.1060 138 D 5.0147 9.2652 125.5944 52.7680 44.2885 174.3384 139 Y 5.9601 8.2817 120.2300 54.4716 42.2410 174.5292 140 Q 4.5005 8.7200 116.9003 54.2251 32.9749 173.8657 141 L 5.0127 8.7330 125.7504 53.2302 44.4415 175.5412 142 K 4.5820 9.0218 125.8286 54.5971 34.6249 176.6606 143 S 4.5334 8.2722 118.4123 57.1595 63.1557 173.9020 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 8.17 4.23 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 1.22 0.00 0.00 3 I 8.10 4.03 1.85 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 1.41 0.80 0.91 0.00 0.00 4 H 9.59 4.90 0.00 3.08 3.21 0.00 5.83 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 5 K 8.45 5.11 0.00 1.69 1.66 0.00 1.77 0.00 0.00 1.17 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.32 7.81 6 K 8.84 4.77 0.00 1.78 1.66 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 G 8.59 4.65 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 8 Q 9.21 4.91 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 9 A 8.33 5.23 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 10 H 9.61 5.11 0.00 3.29 3.20 0.00 5.74 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 11 W 8.47 5.48 0.00 3.49 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 12 E 7.59 4.56 0.00 1.94 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 2.02 1.99 0.00 13 S 8.72 4.17 0.00 3.98 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 14 D 8.17 4.85 0.00 2.99 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 15 I 8.46 4.13 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.80 0.00 0.00 *16 K 8.31 4.20 0.00 1.81 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.00 7.81 *17 R 9.77 4.52 0.00 1.81 1.83 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 18 G 8.18 4.54 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 19 K 7.45 3.81 0.00 1.45 1.54 0.00 1.14 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.96 1.08 7.81 20 G 7.55 4.48 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 0.00 21 T 9.44 5.71 4.32 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 1.25 0.00 0.00 22 V 8.95 4.95 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 0.88 0.00 0.00 0.83 0.00 0.00 23 S 9.30 5.20 0.00 3.73 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.61 5.02 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 1.20 0.00 0.00 25 E 8.85 4.14 0.00 2.11 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 2.45 2.27 0.00 26 S 8.18 4.08 0.00 4.00 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 27 G 8.08 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 0.00 0.00 0.00 28 V 7.47 3.70 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 0.70 0.00 0.00 0.93 0.00 0.00 29 L 7.93 4.59 0.00 1.79 1.71 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.22 5.06 0.00 2.62 2.69 0.00 0.00 7.32 7.08 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 31 Q 9.00 3.45 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 32 Q 8.30 4.21 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 33 P 0.00 5.14 0.00 2.01 1.97 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 34 Y 8.22 4.81 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 35 G 8.52 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 0.00 0.00 0.00 0.00 36 F 9.03 4.32 0.00 3.46 3.25 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 37 N 8.44 4.37 0.00 3.15 3.18 0.00 0.00 6.01 7.22 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 38 T 7.79 4.72 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 1.34 0.00 0.00 39 R 7.65 3.83 0.00 1.63 1.20 0.00 2.93 0.00 0.00 2.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 40 F 7.79 4.57 0.00 1.93 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 41 E 8.13 4.40 0.00 2.19 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 2.32 2.55 0.00 42 G 8.10 3.79 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 0.00 0.00 0.00 43 E 7.53 4.03 0.00 2.17 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 2.31 2.26 0.00 44 K 8.78 4.13 0.00 1.75 1.72 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 G 8.16 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 0.00 0.00 0.00 0.00 46 T 8.09 4.33 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 1.28 0.00 0.00 47 N 7.95 4.65 0.00 2.84 2.78 0.00 0.00 5.92 7.76 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 48 P 0.00 4.13 0.00 2.08 2.06 0.00 3.46 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 2.03 2.01 0.00 49 E 8.03 3.91 0.00 2.15 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 2.32 2.38 0.00 50 E 8.87 3.94 0.00 2.13 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 2.50 2.31 0.00 51 L 7.61 3.97 0.00 1.80 1.71 0.82 0.62 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 52 I 8.01 3.79 1.97 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 0.70 0.89 0.00 0.00 53 G 8.31 3.59 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 0.00 0.00 0.00 54 A 8.63 3.99 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 55 A 8.26 3.95 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 56 H 8.50 4.18 0.00 3.32 3.42 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.37 4.06 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 58 A 7.93 3.95 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 59 C 8.11 4.22 0.00 3.09 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 60 F 8.77 4.38 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.18 4.08 0.00 3.93 3.84 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 *63 A 7.96 4.18 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 64 L 7.67 3.54 0.00 0.93 1.51 0.53 0.72 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 65 S 7.99 4.17 0.00 3.88 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 66 L 7.35 4.02 0.00 1.70 1.76 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *68 L 8.10 4.37 0.00 2.00 1.88 0.99 0.93 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 69 G 8.18 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 0.00 0.00 0.00 70 E 8.34 3.90 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 71 A 7.98 4.49 1.55 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 0.00 0.00 0.00 72 G 8.34 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 73 F 8.61 4.93 0.00 3.22 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 *74 T 8.47 4.73 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 75 P 0.00 4.55 0.00 2.18 2.12 0.00 3.77 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 2.00 1.99 0.00 76 T 9.04 4.25 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 1.21 0.00 0.00 77 S 7.68 4.73 0.00 3.86 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 78 I 8.32 5.07 1.87 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 1.37 0.68 0.93 0.00 0.00 79 D 9.21 4.91 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.71 5.27 4.39 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 1.30 0.00 0.00 81 T 9.25 4.77 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 1.20 0.00 0.00 82 A 8.55 4.90 1.17 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 0.00 0.00 83 D 9.14 4.62 0.00 2.67 2.55 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 0.00 84 V 8.28 4.55 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 0.84 0.00 0.00 1.00 0.00 0.00 85 S 9.28 4.69 0.00 3.87 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 86 L 8.62 4.80 0.00 1.58 1.57 1.06 1.03 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 87 D 8.96 5.05 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.48 4.02 0.00 1.52 1.58 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.16 1.24 7.81 89 V 8.19 4.48 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 90 D 8.83 4.25 0.00 2.62 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 91 A 7.97 4.07 1.27 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 92 G 6.63 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 93 F 8.15 5.21 0.00 3.11 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 94 A 8.66 4.56 1.25 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 0.00 0.00 95 I 8.75 5.10 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.77 0.95 0.00 0.00 96 T 8.46 4.29 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 1.24 0.00 0.00 97 K 7.65 4.96 0.00 1.82 1.63 0.00 1.65 0.00 0.00 1.97 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.56 7.81 98 I 8.78 5.01 1.91 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 1.17 1.06 0.95 0.00 0.00 99 A 9.08 4.80 1.20 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 0.00 0.00 0.00 100 L 8.70 4.79 0.00 1.37 1.12 0.18 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.11 5.01 0.00 1.75 1.61 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 102 S 9.18 5.35 0.00 4.14 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 0.00 103 E 9.44 5.23 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 104 V 8.84 5.00 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 1.08 0.00 0.00 1.13 0.00 0.00 105 A 8.79 5.55 1.20 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 0.00 0.00 0.00 106 V 7.91 4.52 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 0.97 0.00 0.00 0.90 0.00 0.00 107 P 0.00 4.05 0.00 2.25 2.01 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 108 G 8.63 3.97 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 0.00 109 I 6.75 4.27 1.23 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.04 0.66 0.00 0.00 110 D 8.41 4.44 0.00 2.87 2.56 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 0.00 111 A 8.73 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 0.00 112 S 8.26 4.09 0.00 3.94 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 0.00 113 T 8.41 3.90 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 114 F 8.52 3.93 0.00 3.01 3.18 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 0.00 115 D 8.13 4.33 0.00 3.08 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 0.00 116 G 7.87 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 0.00 117 I 7.27 3.59 1.66 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.74 0.00 0.00 118 I 7.38 3.40 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.27 0.00 0.00 119 Q 8.08 4.01 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 120 K 7.94 3.95 0.00 1.93 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.57 7.81 121 A 7.97 4.08 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 0.00 122 K 8.22 4.07 0.00 1.96 2.05 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.29 7.81 123 A 7.94 4.62 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 0.00 124 G 8.37 3.84 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 0.00 0.00 0.00 125 C 7.41 4.36 0.00 3.20 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 0.00 126 P 0.00 4.22 0.00 2.18 2.16 0.00 3.61 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 2.12 2.17 0.00 127 V 7.69 3.56 2.14 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 0.77 0.00 0.00 0.95 0.00 0.00 128 S 8.11 4.23 0.00 4.13 3.97 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 0.00 129 Q 8.12 4.08 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 130 V 7.28 4.00 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 131 L 7.05 4.52 0.00 1.75 1.58 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.42 4.21 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 133 A 7.69 4.28 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 0.00 134 E 9.01 4.10 0.00 2.06 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 2.30 2.29 0.00 135 I 8.39 5.03 1.87 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 1.43 1.00 0.89 0.00 0.00 136 T 8.51 4.72 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 1.20 0.00 0.00 137 L 8.28 5.05 0.00 1.49 1.54 0.81 1.19 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 0.00 138 D 9.27 5.01 0.00 2.58 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 0.00 139 Y 8.28 5.96 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 0.00 140 Q 8.72 4.50 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 141 L 8.73 5.01 0.00 1.47 1.51 -0.21 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 142 K 9.02 4.58 0.00 1.61 1.65 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.31 7.81 143 S 8.27 4.53 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.