NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9290 8.3549 109.7354 44.8710 0.0000 173.9492 4 D 4.3523 7.8737 120.3764 53.6242 41.7962 174.1818 5 T 4.4080 8.2946 120.6357 63.2714 70.4564 173.8210 6 T 5.0558 8.4523 116.7747 60.4258 71.5765 173.6940 7 I 4.6982 8.5963 121.5170 59.9477 42.0827 173.4532 8 T 5.2803 8.5640 124.2666 61.6947 70.8746 173.8321 9 V 4.5185 9.2136 125.7787 59.7711 34.8304 174.5037 10 V 4.6640 8.0496 123.2185 61.4962 33.5219 175.0788 11 G 4.0670 7.8470 112.5069 46.5876 0.0000 170.9427 12 N 5.6425 8.2760 117.2711 51.0083 41.8203 174.7401 13 L 4.6951 8.4927 123.5723 55.4162 42.2233 178.4324 14 T 4.2680 8.9250 113.6898 64.1473 69.4852 174.2737 15 A 4.5623 7.7590 122.3247 50.6974 21.9819 175.2698 16 D 4.5014 8.5854 119.4596 54.1453 41.3686 175.3882 17 P 4.6038 0.0000 0.0000 63.0054 32.4525 175.6478 18 E 4.4729 9.0601 123.6285 54.8871 31.0156 174.6785 19 L 4.8127 8.3869 127.4201 53.9894 43.4929 175.5636 20 R 4.7743 8.6904 124.1375 54.5208 35.3060 173.6643 21 F 5.3097 8.5222 117.6700 55.7002 42.0128 175.9633 22 T 4.1580 9.1463 114.2741 60.8729 69.2245 173.3135 23 P 4.3086 0.0000 0.0000 65.9258 31.4289 178.4049 24 S 4.1888 8.0662 113.1588 60.2977 62.8654 174.8628 25 G 4.1167 8.1079 105.9795 44.8576 0.0000 173.4482 26 A 4.5534 8.3839 122.9229 51.3598 20.1561 177.0162 27 A 4.2043 8.7938 124.4973 51.4804 20.1171 176.7498 28 V 4.2672 8.3908 120.8603 59.5487 35.3698 174.2014 29 A 5.1190 8.3586 124.5790 50.1676 22.0788 174.6241 30 N 5.3511 8.7321 119.2643 51.4089 41.8472 173.7968 31 F 5.2327 8.1878 116.6090 56.1177 42.2108 172.9068 32 T 5.0678 8.6570 115.9393 61.8724 71.6426 173.1311 33 V 4.6704 8.8838 126.6942 61.6599 33.3406 174.3508 34 A 4.5723 9.0932 131.1532 50.7923 20.2816 175.6614 35 S 4.7932 8.5902 119.2863 57.2338 63.6654 173.9424 36 T 4.4083 8.2558 118.7567 59.0368 69.6822 172.2642 37 P 4.5207 0.0000 0.0000 63.5896 32.6602 176.4244 38 R 5.1329 8.4972 123.7271 55.6818 33.7174 175.8714 39 M 4.7041 7.9592 117.9378 54.5020 32.6363 177.0786 *46 E 4.1759 7.9868 113.8056 55.6239 31.8540 179.6163 *47 W 4.0479 8.0800 116.1595 56.7654 32.1188 173.7594 48 K 3.8131 8.6083 129.4550 54.8177 28.3083 174.6631 49 D 4.6728 8.4441 123.0285 54.4984 41.6507 176.9634 50 G 4.0619 8.5870 112.5430 45.5880 0.0000 173.5608 51 E 4.3871 8.6351 117.3482 56.6282 29.8023 173.4107 52 A 3.8480 8.8484 125.4994 51.6897 19.2365 176.8973 53 L 3.2315 7.7341 113.6169 55.8907 40.1485 172.9044 54 F 5.1277 8.6778 123.9873 55.8088 41.2770 175.0648 55 L 4.6778 8.8520 125.6913 52.6567 43.6135 176.6976 56 R 4.2462 8.6712 123.8627 56.6694 31.3791 175.6307 57 C 5.2870 8.9997 121.0466 57.6962 32.1231 172.7639 58 N 5.2142 8.6334 119.4080 51.1378 40.4039 173.0935 59 I 4.8697 8.0648 119.6045 59.5571 42.2071 173.3886 60 W 5.0667 8.5509 124.9183 55.7847 33.0126 176.9544 61 R 3.9678 8.7060 117.6607 56.8619 27.9931 177.7543 62 E 3.9568 8.9286 117.8648 60.3596 29.5289 179.3479 63 A 3.9822 8.1506 120.1485 55.1049 18.4476 178.9477 64 A 3.9223 7.7405 119.2539 55.7363 18.4358 179.8026 65 E 3.9344 8.1169 116.1874 59.6504 29.6810 179.2777 66 N 4.3798 8.5877 116.9915 56.0198 38.4828 177.6599 67 V 3.4387 8.0351 119.6998 66.0391 31.4473 178.0559 68 A 3.9239 7.6317 118.9722 55.0533 18.2508 178.9005 69 E 4.0364 8.1597 117.0735 58.5614 29.7869 178.1204 70 S 4.5925 7.7199 113.1249 57.5308 64.5556 174.0807 71 L 4.7895 7.4001 120.3499 52.9292 44.5777 175.2792 72 T 4.7056 8.5659 110.6389 59.3517 72.1146 172.9442 73 R 4.0293 9.2328 121.9118 58.4880 30.0279 175.9968 74 G 4.0700 8.8365 113.9189 45.2770 0.0000 174.0103 75 S 4.1973 8.0103 116.7628 58.8799 63.9732 173.6130 76 R 4.7787 8.6308 125.1743 55.9453 31.4672 175.4034 77 V 4.9679 8.9555 118.8015 59.6866 36.7075 174.2874 78 I 4.9077 8.8568 123.7948 59.6136 39.9177 174.8974 79 V 4.9309 8.9438 126.7852 61.3121 34.7202 174.0046 80 T 5.0280 8.5206 122.0775 60.5701 70.8322 173.3821 81 G 4.3944 8.2088 112.0908 46.7592 0.0000 171.2917 82 R 5.1013 8.0961 118.8930 54.4020 32.3057 175.7960 83 L 4.6831 8.5886 126.6507 54.6935 42.8192 176.0620 84 K 4.8305 9.6657 125.9140 54.7199 36.2621 174.9148 85 Q 5.0175 8.4895 122.1499 54.6523 32.5162 174.1469 86 R 4.6805 8.9791 123.9176 54.1631 34.2318 174.3238 87 S 4.8568 8.2521 116.5857 56.5345 65.5303 173.5306 88 F 4.7178 9.3833 124.1043 56.0495 39.9032 174.1446 89 E 4.8253 8.7055 125.8169 56.1636 30.9286 176.6236 90 T 4.4593 8.2492 113.7724 59.8615 72.7036 172.0334 91 R 3.6622 8.6744 115.0020 59.8300 29.2885 176.0512 *94 E 4.0441 8.0014 117.9658 56.5307 29.9729 174.3037 95 K 4.8888 8.5824 123.3558 54.4438 34.5919 175.9262 96 R 4.8329 8.9357 124.9764 54.7196 33.3150 173.8847 97 T 5.2394 8.7356 115.3888 60.0685 71.8687 173.3840 98 V 4.6857 8.5201 115.3948 59.9004 36.1752 174.9610 99 V 4.9871 8.0419 114.9975 60.1442 34.8015 174.3712 100 E 4.8468 9.0535 120.3196 55.6087 33.7787 173.9369 101 V 4.7591 8.3043 125.1620 61.2395 33.8934 174.5595 102 E 4.6679 9.1707 128.8265 54.7585 30.1112 176.1014 103 V 3.9448 8.4995 126.4459 63.3206 31.6838 175.5964 104 D 4.6719 9.2750 128.6432 56.9104 41.8399 176.2454 105 E 4.8570 7.9909 115.8927 54.9144 34.3725 174.0043 106 I 5.1267 8.2732 120.5018 60.0954 41.3696 173.9656 107 G 4.3925 8.8385 114.2228 44.1395 0.0000 170.1835 108 P 4.9626 0.0000 0.0000 62.1806 32.2127 176.1646 109 S 4.1849 8.7006 118.8212 58.2284 62.9955 173.6373 110 L 5.1224 8.1439 124.2110 53.9528 41.8814 177.6407 111 R 3.7981 7.8002 121.5113 59.1098 29.8744 177.2015 112 Y 4.9528 7.5676 111.2050 57.1060 39.4545 174.5557 113 A 4.5965 7.6827 121.5278 51.5838 21.9581 176.1604 114 T 4.8843 8.2073 109.3145 59.9684 71.3789 173.6863 115 A 4.5606 8.1320 125.7097 51.1367 22.1048 176.4360 116 K 4.3696 8.5803 123.4625 53.2679 32.6345 175.2579 117 V 4.3511 8.1915 124.1211 60.1856 33.1884 175.0056 118 N 4.8200 8.3597 122.7374 51.1287 40.9216 174.4345 119 K 3.8806 8.6010 123.4663 57.2601 32.7393 177.3539 120 A 4.0201 8.6670 125.4845 52.6713 18.3645 177.2505 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 G 8.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.87 4.35 0.00 2.76 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 5 T 8.29 4.41 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 6 T 8.45 5.06 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 1.21 0.00 0.00 7 I 8.60 4.70 1.88 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 1.24 1.31 0.92 0.00 0.00 8 T 8.56 5.28 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 1.26 0.00 0.00 9 V 9.21 4.52 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 0.80 0.00 0.00 0.93 0.00 0.00 10 V 8.05 4.66 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 0.86 0.00 0.00 0.92 0.00 0.00 11 G 7.85 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 0.00 0.00 0.00 0.00 12 N 8.28 5.64 0.00 2.70 2.72 0.00 0.00 7.46 6.49 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 13 L 8.49 4.70 0.00 1.74 1.82 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.93 4.27 4.33 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 1.46 0.00 0.00 15 A 7.76 4.56 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.59 4.50 0.00 2.68 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 17 P 0.00 4.60 0.00 1.91 1.99 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 18 E 9.06 4.47 0.00 1.89 1.85 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 2.24 2.24 0.00 19 L 8.39 4.81 0.00 1.55 1.50 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.69 4.77 0.00 1.57 1.73 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 21 F 8.52 5.31 0.00 2.89 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 22 T 9.15 4.16 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 1.47 0.00 0.00 23 P 0.00 4.31 0.00 2.10 2.21 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 24 S 8.07 4.19 0.00 3.94 3.98 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 25 G 8.11 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.38 4.55 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 27 A 8.79 4.20 1.14 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 0.00 0.00 28 V 8.39 4.27 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 0.65 0.00 0.00 -0.36 0.00 0.00 29 A 8.36 5.12 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 30 N 8.73 5.35 0.00 2.63 2.59 0.00 0.00 6.28 8.14 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 31 F 8.19 5.23 0.00 3.03 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 32 T 8.66 5.07 4.34 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 1.39 0.00 0.00 33 V 8.88 4.67 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.14 0.00 0.00 34 A 9.09 4.57 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 35 S 8.59 4.79 0.00 3.85 3.68 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 36 T 8.26 4.41 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 1.10 0.00 0.00 37 P 0.00 4.52 0.00 2.08 2.00 0.00 3.57 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 2.07 0.00 38 R 8.50 5.13 0.00 1.53 1.62 0.00 3.23 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 39 M 7.96 4.70 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 *46 E 7.99 4.18 0.00 2.01 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 2.13 1.88 0.00 *47 W 8.08 4.05 0.00 2.44 2.04 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 48 K 8.61 3.81 0.00 1.95 1.91 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.39 7.81 49 D 8.44 4.67 0.00 2.54 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 50 G 8.59 4.06 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 0.00 0.00 0.00 51 E 8.64 4.39 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.89 0.00 52 A 8.85 3.85 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.73 3.23 0.00 1.64 1.45 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.68 5.13 0.00 2.91 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 55 L 8.85 4.68 0.00 1.59 1.60 0.93 0.75 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 56 R 8.67 4.25 0.00 1.75 1.81 0.00 3.06 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 57 C 9.00 5.29 0.00 1.63 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 0.00 0.00 0.00 58 N 8.63 5.21 0.00 2.26 2.64 0.00 0.00 6.22 7.71 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 59 I 8.06 4.87 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.65 1.04 0.00 0.00 60 W 8.55 5.07 0.00 3.33 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 61 R 8.71 3.97 0.00 2.20 2.01 0.00 3.20 0.00 0.00 3.15 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 62 E 8.93 3.96 0.00 2.08 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 2.41 2.42 0.00 63 A 8.15 3.98 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 64 A 7.74 3.92 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 65 E 8.12 3.93 0.00 2.20 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 2.45 2.44 0.00 66 N 8.59 4.38 0.00 2.84 2.86 0.00 0.00 6.64 7.51 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 67 V 8.04 3.44 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 68 A 7.63 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.16 4.04 0.00 2.09 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 2.31 2.34 0.00 70 S 7.72 4.59 0.00 3.87 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 71 L 7.40 4.79 0.00 1.50 1.39 0.64 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.57 4.71 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 1.19 0.00 0.00 73 R 9.23 4.03 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 74 G 8.84 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 0.00 0.00 0.00 0.00 75 S 8.01 4.20 0.00 3.79 3.77 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 76 R 8.63 4.78 0.00 1.96 1.84 0.00 3.36 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 77 V 8.96 4.97 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 0.80 0.00 0.00 1.02 0.00 0.00 78 I 8.86 4.91 1.87 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 1.10 0.71 0.91 0.00 0.00 79 V 8.94 4.93 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 0.84 0.00 0.00 1.10 0.00 0.00 80 T 8.52 5.03 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 1.28 0.00 0.00 81 G 8.21 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 0.00 0.00 0.00 0.00 82 R 8.10 5.10 0.00 1.82 1.84 0.00 3.17 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 83 L 8.59 4.68 0.00 1.64 1.57 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.67 4.83 0.00 1.72 1.64 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.63 7.81 85 Q 8.49 5.02 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.46 0.00 86 R 8.98 4.68 0.00 1.47 1.05 0.00 3.18 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 87 S 8.25 4.86 0.00 3.74 3.71 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 F 9.38 4.72 0.00 3.08 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 89 E 8.71 4.83 0.00 1.86 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 2.24 2.27 0.00 90 T 8.25 4.46 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 91 R 8.67 3.66 0.00 1.91 2.13 0.00 3.03 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 *94 E 8.00 4.04 0.00 2.03 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 2.31 2.41 0.00 95 K 8.58 4.89 0.00 1.62 1.72 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.34 7.81 96 R 8.94 4.83 0.00 1.94 2.06 0.00 3.05 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 97 T 8.74 5.24 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 1.19 0.00 0.00 98 V 8.52 4.69 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 0.86 0.00 0.00 1.17 0.00 0.00 99 V 8.04 4.99 2.18 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 0.69 0.00 0.00 0.96 0.00 0.00 100 E 9.05 4.85 0.00 1.97 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 2.19 2.19 0.00 101 V 8.30 4.76 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 0.93 0.00 0.00 0.93 0.00 0.00 102 E 9.17 4.67 0.00 1.98 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 2.44 2.16 0.00 103 V 8.50 3.94 2.27 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 0.89 0.00 0.00 1.00 0.00 0.00 104 D 9.28 4.67 0.00 2.80 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 0.00 105 E 7.99 4.86 0.00 1.85 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 2.31 2.25 0.00 106 I 8.27 5.13 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.95 0.00 0.00 107 G 8.84 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 0.00 0.00 0.00 0.00 108 P 0.00 4.96 0.00 2.07 2.03 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.70 4.18 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 0.00 110 L 8.14 5.12 0.00 1.62 1.62 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.80 3.80 0.00 1.49 1.46 0.00 2.85 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 112 Y 7.57 4.95 0.00 2.97 2.77 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 0.00 113 A 7.68 4.60 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 0.00 114 T 8.21 4.88 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 1.22 0.00 0.00 115 A 8.13 4.56 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 0.00 116 K 8.58 4.37 0.00 1.78 1.62 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 0.98 7.81 117 V 8.19 4.35 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 0.98 0.00 0.00 0.92 0.00 0.00 118 N 8.36 4.82 0.00 2.68 2.69 0.00 0.00 7.03 7.61 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 0.00 119 K 8.60 3.88 0.00 1.75 1.76 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.39 7.81 120 A 8.67 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.