NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 Y 4.5850 8.1293 119.1764 56.9871 39.3188 176.4062 4 T 4.0918 6.7895 108.1210 60.6746 71.6439 173.8695 5 L 4.1108 8.8314 124.9412 58.1385 42.5534 180.1716 6 A 4.0488 8.0417 120.3605 55.2633 18.4461 179.2659 7 E 4.0079 8.1579 116.6144 59.4862 29.5559 179.3809 8 F 4.4651 8.7611 122.3600 61.0075 39.4546 177.2072 9 L 4.1756 8.6206 118.7156 57.6807 41.3869 179.3827 10 A 3.9263 8.2665 120.8526 55.3403 18.2624 179.4116 11 H 3.7468 8.3361 114.3736 58.8821 28.7856 177.7527 12 A 4.2468 8.1234 124.1823 54.7492 18.1730 179.7500 13 I 3.5792 8.0140 118.1646 64.4586 37.1273 178.6151 14 A 3.6341 7.7507 121.5505 54.9143 18.0096 179.6483 15 L 4.0446 8.2507 117.9783 58.0057 41.6598 179.6980 16 E 4.0959 8.2605 118.5020 59.5688 29.6187 179.2197 17 T 3.7949 8.1915 116.2451 66.5901 68.5326 176.1023 18 E 3.7907 8.3174 120.7613 59.2236 29.6520 178.5321 19 A 3.8262 8.2788 120.6578 55.1543 18.4998 179.2266 20 A 4.0130 8.1882 119.2048 55.6046 18.5465 179.7506 21 E 3.8272 7.8811 116.3653 59.5931 29.4870 179.9459 22 R 3.5182 7.5111 117.9919 59.1722 29.8421 178.7082 23 Y 4.0411 7.6952 116.7672 60.9061 37.7360 178.6679 24 V 3.6181 7.7790 119.2180 65.9466 31.3809 177.6128 25 E 3.8812 7.6664 117.2034 59.4332 29.5713 178.5443 26 L 4.0904 7.7205 117.3528 57.5057 41.6273 178.9238 27 A 4.4646 8.2968 120.3342 54.9334 20.0165 178.7790 28 D 4.5729 8.1546 118.5128 54.7829 36.7938 176.4921 *31 E 4.1811 7.8782 123.1615 56.0337 31.8848 177.6083 32 A 3.9606 7.9654 120.0458 54.7669 17.5363 177.7024 33 H 4.8027 8.1811 111.6705 55.0983 29.0815 174.1815 34 N 4.3828 8.1216 116.2329 54.9569 38.0777 175.6753 35 N 4.7705 7.2830 114.4303 51.8171 35.8745 175.0706 36 L 4.0327 7.7280 124.0327 57.1752 42.3169 178.6410 37 D 4.2723 7.9664 118.9693 56.9227 39.6152 178.6595 38 T 3.0549 7.6652 117.0843 65.5119 68.3786 176.1556 39 A 4.0290 7.9967 122.8185 55.7717 18.4122 179.8989 40 T 3.7423 7.6826 113.8589 66.4897 68.2070 176.9813 41 V 3.2623 6.8998 119.4141 66.1144 31.4510 177.9404 42 F 4.5768 7.3622 115.9177 60.4191 39.0195 177.7056 43 R 4.1594 8.2769 118.2175 59.0127 29.6917 178.6811 44 D 4.3490 7.9207 113.6156 55.3032 40.9300 177.4097 *46 A 4.3043 7.9349 122.9468 51.8346 20.7875 179.8298 47 R 3.9286 8.1724 115.6353 59.3495 30.0524 178.3806 48 F 3.9880 8.4705 120.7980 61.2449 39.3394 176.8306 49 S 4.8989 8.2379 113.5155 61.2740 62.1915 176.0741 50 T 3.7989 7.6847 117.5980 66.6483 68.3131 176.5751 51 L 3.8682 7.6696 120.6300 57.9898 41.6303 179.1540 52 H 3.9325 8.1337 118.5897 59.0950 29.6758 177.2503 53 G 3.6730 8.3413 107.8464 48.1900 0.0000 175.2570 54 D 4.3085 8.0790 120.9555 56.9820 40.8609 178.6540 55 E 3.9370 7.8974 118.5994 59.6284 29.5830 179.5655 56 I 3.8043 7.7755 119.7491 64.2645 36.8744 178.6935 57 K 4.1358 7.9890 120.1841 58.8834 31.7246 179.0769 58 Q 4.1424 8.1562 118.3148 59.1419 28.4684 179.0088 59 R 3.9919 7.9601 119.1096 59.1969 30.0280 178.7027 60 S 4.4105 7.9839 112.2571 59.8612 63.1911 176.3332 61 R 3.9106 7.5562 121.0054 59.1002 29.8402 177.9868 62 A 4.2160 7.6212 118.9221 52.7288 18.8152 177.1532 63 L 4.7350 7.2027 116.2343 52.4136 45.4631 175.9551 64 E 4.1485 8.7064 122.5781 55.7533 29.7518 176.0493 65 L 4.5652 8.2342 126.7907 52.7082 43.1949 174.9101 66 P 4.4365 0.0000 0.0000 62.0627 32.2234 175.8630 67 K 4.1526 8.4114 122.1184 56.3559 33.5531 176.0687 68 L 4.5849 7.8975 130.4845 54.7283 40.6607 178.1333 *70 S 3.6234 8.6854 117.4669 58.6825 64.2714 176.1217 71 W 4.1545 6.5487 116.9094 58.3330 28.1918 177.6235 72 Q 4.1474 7.2385 117.2980 57.8888 28.3911 176.0057 73 Y 4.7807 6.6177 112.3649 56.7712 41.0955 176.0833 74 R 4.1914 7.1034 119.6700 55.5558 30.6443 176.5859 75 W 4.4939 9.0247 122.0191 56.6589 29.6813 176.3615 76 K 4.1919 8.6542 123.2493 56.4035 32.2764 176.9511 77 T 4.1677 8.3048 115.2341 60.7978 69.4197 172.6048 78 P 4.5657 0.0000 0.0000 61.0627 32.5295 173.9360 79 P 4.0420 0.0000 0.0000 63.9662 31.5223 178.1823 80 E 4.3948 8.3906 122.4115 54.6228 28.4480 173.4009 *81 V 4.6363 7.1385 118.9768 58.9403 36.0320 175.9627 82 G 3.9120 8.6728 114.9554 46.2014 0.0000 175.0800 83 D 4.8322 8.1026 119.0532 51.2889 38.2434 176.5224 84 E 5.4280 7.7074 124.7766 56.8675 31.4189 175.4770 *88 H 4.6218 8.0683 124.6019 55.8439 31.0207 172.3286 89 Y 4.1379 8.1713 124.6118 60.9283 39.0667 177.8136 90 L 4.2141 7.5680 118.4705 54.1013 40.3876 177.4829 *92 T 4.1266 7.3742 109.8734 60.8774 71.5209 172.8303 93 P 4.3182 0.0000 0.0000 66.0416 31.5580 178.0942 94 Y 4.2175 8.0629 117.6381 61.3116 38.6957 177.9470 95 H 4.0928 7.8980 116.5538 58.4055 28.6469 177.7400 96 A 4.1562 8.0645 122.7570 55.1484 18.2035 179.6860 97 L 4.2677 8.2399 117.5614 58.1982 41.7090 180.0279 98 R 3.8796 7.8280 117.6997 59.1870 29.8203 178.4982 99 Y 4.1477 8.1552 119.2111 60.6284 38.7757 177.9886 100 A 3.3200 8.3930 122.0531 54.8767 18.5341 179.3698 101 R 3.7422 8.2224 117.5746 59.7843 30.1122 178.0283 102 D 4.2926 7.9344 118.5323 57.8902 40.8763 179.0384 103 N 3.9028 7.1388 115.8867 55.4227 38.0234 177.4178 104 E 3.8777 7.5294 119.6815 59.4768 29.6454 179.0678 105 I 3.8371 7.4473 118.3540 64.4404 37.4666 178.3326 106 R 4.2022 7.8863 119.0232 59.0378 29.8239 180.0574 107 G 3.5563 7.8225 103.0616 45.3070 0.0000 175.1228 *109 E 4.3182 8.1694 122.4708 56.2270 31.3654 177.6391 110 Y 4.0051 8.1020 119.1491 60.9611 38.2023 177.8929 111 Y 4.4470 7.8065 117.4563 61.2308 38.1595 178.8293 112 K 4.0460 8.1597 118.8815 59.4561 32.1924 178.8911 113 E 3.9011 8.3472 119.4181 58.9962 29.5378 178.7550 114 A 3.8099 7.8590 120.6498 55.1745 18.2815 179.4656 115 A 3.8212 7.8801 117.6951 55.1609 18.4167 179.3706 116 A 4.0932 7.7426 118.1967 54.4574 18.7467 178.6163 117 N 4.6632 7.8864 112.1006 52.5206 40.0029 175.2583 118 S 4.4321 7.4231 115.2748 57.3086 63.3349 173.7892 119 A 4.1727 8.3510 128.6084 53.8219 19.2602 177.7776 120 D 4.4350 7.9014 116.3297 53.4781 42.1318 174.9670 121 P 4.2098 0.0000 0.0000 65.5937 31.3415 178.2243 122 E 3.7912 8.2965 118.2280 59.0061 29.4837 179.1417 123 V 2.8594 7.4392 117.9433 65.4910 31.7561 177.7489 124 K 3.7029 7.7307 118.3007 59.5127 31.9110 179.2528 125 R 3.7279 7.8547 118.6477 59.5204 30.0604 178.6018 126 L 3.6234 7.9150 119.3452 57.2609 41.4000 179.6249 127 G 3.6155 7.9459 105.8642 47.8117 0.0000 175.6233 128 A 3.9976 7.7576 123.1115 54.7934 18.5199 179.4511 129 D 4.3257 8.0448 117.3600 57.7146 40.9778 179.1568 130 F 4.3939 8.6968 118.4775 60.4447 38.7785 177.5918 131 A 4.2140 8.4299 120.4364 55.2090 18.2210 179.4953 132 A 3.9661 8.1157 119.2618 55.3583 18.3753 179.5438 133 E 4.0223 8.1580 117.3608 59.4739 29.7679 178.8701 134 E 3.7781 8.4140 118.4574 59.1992 29.4884 179.1646 135 A 4.0447 8.2059 120.9786 55.2131 18.4189 179.5588 136 E 4.0004 7.9791 116.6441 59.7083 29.3799 179.3056 137 H 4.2821 7.8380 116.3469 58.5899 28.6341 177.9619 138 V 3.5774 7.7808 120.0635 66.0165 31.5353 178.1611 139 V 3.5783 7.8647 117.7374 65.9861 31.4652 177.7414 140 A 4.0921 8.0908 120.3757 55.3652 18.1878 179.6436 141 L 4.1689 8.3040 117.6093 58.0015 41.6740 179.3682 142 D 4.4438 8.5287 119.2355 57.5343 40.5581 179.1283 143 K 4.0095 7.8693 117.5111 59.0713 32.2940 179.2957 144 W 3.9397 8.2263 118.9170 59.7152 29.1489 178.5688 145 I 3.9086 8.3219 120.1364 64.5270 36.3467 177.9749 146 E 3.9872 8.0178 118.1653 59.5660 29.5194 179.1782 147 K 4.3000 7.5384 114.0992 56.0625 32.5712 176.8029 148 T 4.4631 7.1953 117.5768 61.3325 69.2440 173.1637 149 P 4.3623 0.0000 0.0000 62.5447 32.1188 175.9164 150 R 3.8366 8.0833 119.7267 54.6129 30.8013 175.0551 151 P 4.4954 0.0000 0.0000 62.9408 32.4679 176.0578 152 S 4.6973 8.2476 117.4581 56.5425 64.9349 175.8811 153 I 4.0226 8.1882 125.2108 59.6246 36.2504 174.6523 *154 T 3.6505 8.6357 108.7411 62.2381 68.7079 168.3880 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 *3 Y 8.13 4.58 0.00 2.35 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 4 T 6.79 4.09 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 5 L 8.83 4.11 0.00 1.97 1.74 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.04 4.05 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 7 E 8.16 4.01 0.00 2.36 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 2.41 2.39 0.00 8 F 8.76 4.47 0.00 3.25 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 9 L 8.62 4.18 0.00 1.81 1.79 1.01 1.21 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 10 A 8.27 3.93 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 11 H 8.34 3.75 0.00 3.25 2.67 0.00 5.83 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 12 A 8.12 4.25 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 13 I 8.01 3.58 1.78 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 1.41 0.73 0.81 0.00 0.00 14 A 7.75 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.25 4.04 0.00 1.88 1.83 0.50 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.26 4.10 0.00 2.13 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 2.58 2.49 0.00 17 T 8.19 3.79 4.10 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 0.00 0.00 0.00 1.13 0.00 0.00 18 E 8.32 3.79 0.00 2.26 2.28 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 2.61 1.95 0.00 19 A 8.28 3.83 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.19 4.01 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 21 E 7.88 3.83 0.00 2.04 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 2.26 2.38 0.00 22 R 7.51 3.52 0.00 0.67 0.66 0.00 3.11 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 23 Y 7.70 4.04 0.00 3.09 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 24 V 7.78 3.62 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 1.08 0.00 0.00 0.96 0.00 0.00 25 E 7.67 3.88 0.00 2.06 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 0.00 2.28 2.32 0.00 26 L 7.72 4.09 0.00 1.11 1.13 0.45 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.30 4.46 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 28 D 8.15 4.57 0.00 2.89 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 *31 E 7.88 4.18 0.00 2.17 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 2.28 2.39 0.00 32 A 7.97 3.96 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 33 H 8.18 4.80 0.00 3.22 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.12 4.38 0.00 2.81 2.88 0.00 0.00 7.02 7.91 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 35 N 7.28 4.77 0.00 3.01 2.76 0.00 0.00 7.08 6.62 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 36 L 7.73 4.03 0.00 1.70 1.71 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.97 4.27 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 38 T 7.67 3.05 4.07 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 0.72 0.00 0.00 39 A 8.00 4.03 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 40 T 7.68 3.74 4.26 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 1.17 0.00 0.00 41 V 6.90 3.26 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 0.33 0.00 0.00 -0.50 0.00 0.00 42 F 7.36 4.58 0.00 3.26 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 43 R 8.28 4.16 0.00 1.92 1.98 0.00 3.31 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 44 D 7.92 4.35 0.00 2.84 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 *46 A 7.93 4.30 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.17 3.93 0.00 2.01 2.12 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 48 F 8.47 3.99 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 49 S 8.24 4.90 0.00 4.12 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 0.00 50 T 7.68 3.80 4.36 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 1.18 0.00 0.00 51 L 7.67 3.87 0.00 1.62 1.56 0.89 0.97 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 52 H 8.13 3.93 0.00 2.10 2.88 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 53 G 8.34 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 0.00 0.00 0.00 54 D 8.08 4.31 0.00 2.83 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 55 E 7.90 3.94 0.00 2.06 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 2.31 0.00 56 I 7.78 3.80 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 0.97 0.00 0.00 57 K 7.99 4.14 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.41 7.81 58 Q 8.16 4.14 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 59 R 7.96 3.99 0.00 2.13 2.05 0.00 3.28 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 60 S 7.98 4.41 0.00 4.10 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 0.00 61 R 7.56 3.91 0.00 1.90 2.05 0.00 3.23 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 62 A 7.62 4.22 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 63 L 7.20 4.74 0.00 1.62 1.55 0.96 0.79 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 64 E 8.71 4.15 0.00 1.93 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 2.29 2.33 0.00 65 L 8.23 4.57 0.00 1.65 1.55 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.44 0.00 2.18 2.06 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 67 K 8.41 4.15 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.40 7.81 68 L 7.90 4.58 0.00 1.64 1.29 0.62 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *70 S 8.69 3.62 0.00 3.76 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 71 W 6.55 4.15 0.00 3.53 3.51 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 72 Q 7.24 4.15 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 73 Y 6.62 4.78 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.10 4.19 0.00 1.73 1.89 0.00 3.05 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.17 0.00 75 W 9.02 4.49 0.00 3.16 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 76 K 8.65 4.19 0.00 1.75 1.80 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.41 7.81 77 T 8.30 4.17 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 78 P 0.00 4.57 0.00 1.95 1.30 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 79 P 0.00 4.04 0.00 1.21 1.77 0.00 3.49 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 1.88 2.02 0.00 80 E 8.39 4.39 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.85 0.00 *81 V 7.14 4.64 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 0.90 0.00 0.00 0.93 0.00 0.00 82 G 8.67 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 0.00 0.00 0.00 83 D 8.10 4.83 0.00 2.80 2.95 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 84 E 7.71 5.43 0.00 1.95 1.90 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 1.97 1.95 0.00 *88 H 8.07 4.62 0.00 3.17 3.30 0.00 6.00 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.17 4.14 0.00 2.71 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 90 L 7.57 4.21 0.00 1.79 1.67 0.63 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *92 T 7.37 4.13 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 93 P 0.00 4.32 0.00 2.26 2.20 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 94 Y 8.06 4.22 0.00 2.98 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 95 H 7.90 4.09 0.00 3.07 2.57 0.00 5.69 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 96 A 8.06 4.16 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.27 0.00 1.93 1.83 1.10 0.65 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 98 R 7.83 3.88 0.00 1.76 1.88 0.00 2.55 0.00 0.00 2.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 99 Y 8.16 4.15 0.00 3.16 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 0.00 100 A 8.39 3.32 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 0.00 101 R 8.22 3.74 0.00 1.98 2.08 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 102 D 7.93 4.29 0.00 2.73 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 0.00 103 N 7.14 3.90 0.00 1.44 1.42 0.00 0.00 7.08 9.01 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 0.00 104 E 7.53 3.88 0.00 2.05 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 2.48 2.57 0.00 105 I 7.45 3.84 1.97 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 1.51 0.58 0.89 0.00 0.00 106 R 7.89 4.20 0.00 1.85 1.92 0.00 3.00 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 107 G 7.82 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 E 8.17 4.32 0.00 2.29 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 0.00 2.32 2.46 0.00 110 Y 8.10 4.01 0.00 3.02 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 0.00 111 Y 7.81 4.45 0.00 3.22 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 0.00 112 K 8.16 4.05 0.00 1.98 1.88 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.59 7.81 113 E 8.35 3.90 0.00 2.23 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 2.31 2.44 0.00 114 A 7.86 3.81 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 0.00 115 A 7.88 3.82 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.74 4.09 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 0.00 117 N 7.89 4.66 0.00 2.79 2.85 0.00 0.00 6.97 7.63 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 0.00 118 S 7.42 4.43 0.00 3.82 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 0.00 119 A 8.35 4.17 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 0.00 120 D 7.90 4.44 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.21 0.00 2.14 2.04 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 122 E 8.30 3.79 0.00 2.04 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 2.25 0.00 123 V 7.44 2.86 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 0.43 0.00 0.00 0.85 0.00 0.00 124 K 7.73 3.70 0.00 1.97 1.76 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.54 7.81 125 R 7.85 3.73 0.00 1.88 1.90 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 126 L 7.92 3.62 0.00 1.05 0.64 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.95 3.62 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 0.00 0.00 0.00 128 A 7.76 4.00 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 0.00 129 D 8.04 4.33 0.00 2.78 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 0.00 130 F 8.70 4.39 0.00 2.43 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 0.00 0.00 0.00 131 A 8.43 4.21 1.52 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 0.00 0.00 132 A 8.12 3.97 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 0.00 133 E 8.16 4.02 0.00 2.17 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 0.00 2.40 2.04 0.00 134 E 8.41 3.78 0.00 2.17 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 2.75 2.88 0.00 135 A 8.21 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.98 4.00 0.00 2.15 2.01 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 2.33 2.53 0.00 137 H 7.84 4.28 0.00 3.37 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.78 3.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 139 V 7.86 3.58 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 0.97 0.00 0.00 0.99 0.00 0.00 140 A 8.09 4.09 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 0.00 141 L 8.30 4.17 0.00 1.92 1.83 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.53 4.44 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.87 4.01 0.00 1.95 1.74 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 144 W 8.23 3.94 0.00 3.65 3.35 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 0.00 145 I 8.32 3.91 2.11 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 1.58 1.29 1.11 0.00 0.00 146 E 8.02 3.99 0.00 2.17 2.01 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 2.37 2.59 0.00 147 K 7.54 4.30 0.00 1.47 1.67 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.29 7.81 148 T 7.20 4.46 4.60 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 1.38 0.00 0.00 149 P 0.00 4.36 0.00 2.14 2.03 0.00 3.81 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 2.00 1.99 0.00 150 R 8.08 3.84 0.00 1.62 1.51 0.00 2.21 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.00 151 P 0.00 4.50 0.00 2.16 2.02 0.00 3.49 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 152 S 8.25 4.70 0.00 3.61 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.19 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 *154 T 8.64 3.65 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 * Residues marked with a * may have inaccurate shift predictions.