NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0867 8.0549 120.3907 62.3966 32.6880 175.1530 2 L 3.9822 8.2784 127.2398 52.5420 42.2582 176.0725 3 S 4.4961 9.1822 118.3501 57.7121 66.1469 174.8813 4 E 4.2308 8.8274 122.6723 59.5427 29.4267 179.0192 5 G 3.6680 8.1500 105.2412 47.8849 0.0000 175.3571 6 E 3.9067 8.1333 120.8339 59.0304 29.4018 179.4743 7 W 4.4236 8.2613 119.1226 59.8803 29.0304 178.5661 8 Q 4.1343 8.6182 118.3688 59.0014 28.2231 178.8991 9 L 4.0585 7.9781 119.8702 57.6802 41.6667 179.6742 10 V 3.7526 7.9749 118.1107 66.3062 31.6038 178.1288 11 L 4.3230 8.5670 118.5462 57.3930 41.2490 179.0093 12 H 4.2337 8.3762 118.4712 59.2427 30.2902 177.3676 13 V 3.7423 7.9064 120.6360 64.4843 31.3575 178.0788 14 W 3.9059 8.5842 128.8553 60.1705 30.2676 177.8129 15 A 4.0410 8.0881 119.9294 54.7998 18.0828 179.4600 16 K 3.9078 7.6773 117.1789 59.4133 31.9944 179.6041 17 V 2.9385 7.0054 118.0477 65.6236 31.0868 177.1243 18 E 4.0065 7.3709 115.0837 57.3760 29.4549 178.1865 19 A 4.1865 7.4980 120.5295 53.6740 20.2204 177.5851 20 D 4.6548 7.9061 116.8318 52.0434 42.3298 175.5909 21 V 3.4191 7.8203 123.6702 66.0186 32.1679 176.8137 22 A 4.0737 7.9857 120.1145 55.0463 18.2718 179.6681 23 G 3.5692 8.5508 104.4346 46.0688 0.0000 175.7481 24 H 4.1866 8.2570 118.5248 58.5000 28.6156 178.1120 25 G 3.5669 8.2316 107.6442 47.6963 0.0000 175.7138 26 Q 3.8597 7.9262 120.2300 58.9409 28.8056 178.6457 27 D 4.3023 7.8738 119.6755 57.4332 40.7578 179.1474 28 I 3.6604 7.9571 120.4858 64.3836 37.0710 178.5536 29 L 3.4243 7.8545 119.9783 57.5400 41.2855 179.6740 30 I 3.5899 7.7027 120.0246 64.1864 36.9710 178.4378 31 R 3.7923 7.9335 119.5600 59.1640 29.9312 178.1154 32 L 3.9390 7.8927 120.2836 58.5076 41.8053 179.1400 33 F 4.5792 8.1562 117.8324 60.4395 38.5276 177.9634 34 K 4.0383 8.0678 117.5437 59.5690 32.0856 179.4096 35 S 4.2719 8.2722 114.4684 60.3760 64.1455 174.6670 36 H 4.7038 8.0580 118.3561 52.2282 29.5650 171.9622 37 P 4.5547 0.0000 0.0000 64.3969 31.4770 177.5437 38 E 4.0948 8.2198 116.4007 59.3195 29.3951 179.1617 39 T 3.9586 8.1503 111.7074 64.6691 68.9063 176.3503 40 L 3.5811 7.8850 123.2734 57.7090 41.8082 178.4977 41 E 4.0716 7.6830 117.6123 58.6028 29.6281 178.2937 42 K 4.4281 7.9893 116.9457 57.0472 32.7743 177.3892 43 F 4.6054 8.0673 119.2533 55.4111 39.3817 175.4665 44 D 4.4325 8.5964 124.3724 57.3118 41.0104 178.8683 45 R 3.8476 7.8890 116.8271 58.2862 30.0987 177.1284 46 F 5.0651 7.9378 114.0847 56.9102 40.7537 176.9149 47 K 4.0803 8.1059 119.1676 58.7588 32.6030 177.6841 48 H 4.3446 8.1273 114.6760 57.4739 28.7796 175.3822 49 L 4.3213 7.7258 122.0277 54.4257 41.7845 176.7073 50 K 4.5318 9.4802 122.5755 56.1508 34.4717 176.6376 51 T 4.7497 7.5073 108.2588 58.7364 73.1863 174.1786 52 E 3.8847 8.6755 121.7925 59.4453 29.6999 178.8060 53 A 3.9898 7.9789 120.2534 55.3174 18.2408 179.2797 54 E 3.9313 8.0533 115.8577 59.7367 29.9458 179.1554 55 M 4.1810 8.1668 118.6903 58.5271 31.8645 179.0871 56 K 3.9947 8.2641 117.2565 58.9321 32.2750 178.4590 57 A 4.4408 7.6825 118.7573 51.7039 19.0351 176.9780 58 S 4.4237 7.4821 113.5668 56.9546 62.7028 174.4417 59 E 4.0082 8.8139 129.4346 59.1920 29.4668 177.9275 60 D 4.4294 8.1762 117.9343 57.2000 41.2912 177.8242 61 L 3.3850 8.0784 120.9028 57.8271 42.1684 178.8252 62 K 3.8478 7.9802 119.5610 59.3653 32.0922 178.8054 63 K 3.9738 8.4096 119.0944 59.9251 31.9537 178.8197 64 H 4.4178 8.5807 118.5405 59.0545 29.7159 177.3345 65 G 3.6057 8.3284 107.9753 47.8461 0.0000 175.7184 66 V 3.5974 7.6966 120.2120 65.9911 31.5341 178.0990 67 T 3.8858 7.8930 115.4755 66.7007 68.2686 176.6981 68 V 3.5895 7.9420 120.0915 66.1947 31.5712 178.1850 69 L 4.2226 8.1984 118.7282 57.8317 41.5093 179.6203 70 T 3.9457 8.3812 116.1264 66.6344 68.4554 176.4644 71 A 4.0167 8.0438 122.6771 55.0279 18.3327 179.4396 72 L 3.7399 8.2326 119.1572 58.0815 42.0991 179.3727 73 G 3.2589 8.4616 105.8512 47.6921 0.0000 175.4836 74 A 3.9846 7.6674 121.9304 54.7547 18.6379 179.6377 75 I 3.7761 7.4946 118.2012 64.6466 37.2339 178.6470 76 L 3.9719 7.8696 120.1077 57.6917 41.1796 179.5195 77 K 3.9980 7.8138 116.6928 58.1489 32.3202 178.6243 78 K 3.9707 7.8101 118.3980 55.8160 32.6537 176.5071 79 K 2.0000 8.3459 118.1107 56.4539 29.7886 174.3720 80 G 4.1059 7.9948 106.4641 46.1732 0.0000 174.2651 81 H 4.5181 7.4905 117.9642 55.1085 27.5614 174.9722 82 H 5.3401 7.2552 110.5907 54.5958 29.5350 176.9859 83 E 4.0251 8.3925 122.4683 60.1410 28.9818 178.8001 84 A 4.0398 7.9015 119.5758 55.1449 18.9080 179.0923 85 E 4.0907 8.1411 116.7411 59.3181 29.6503 179.0366 86 L 4.0579 8.1558 118.6218 56.5091 41.7050 179.0836 87 K 3.8702 7.7669 120.5533 59.1132 32.0981 176.9984 88 P 4.5285 0.0000 0.0000 65.0653 31.1488 178.0831 89 L 3.9661 7.4661 117.5669 57.9900 42.0088 178.7907 90 A 4.1286 8.4237 121.0930 55.2726 18.0631 179.5785 91 Q 3.7984 8.2476 116.8409 59.1712 28.7544 179.3545 92 S 3.9908 8.2727 115.4138 61.7678 63.0726 176.2023 93 H 4.1602 8.7516 119.9646 58.0917 28.2132 177.7742 94 A 2.9746 7.7201 122.4693 54.6441 18.2097 179.0446 95 T 3.8168 7.1002 105.6212 61.9471 69.6898 175.4490 96 K 4.1806 7.4524 120.6368 58.3375 33.2560 176.8699 97 H 4.2801 8.1647 116.2569 56.5138 29.4903 175.9450 98 K 3.7917 7.7076 119.3975 55.4953 28.2751 181.3578 99 I 4.2844 7.9894 121.4562 58.9911 38.6763 175.2112 100 P 4.5064 0.0000 0.0000 62.0668 32.1331 177.5175 101 I 3.4396 8.4612 121.8874 64.6284 36.8655 178.3949 102 K 3.6194 7.9961 119.6810 59.8793 31.8425 178.1588 103 Y 4.0255 8.0193 116.6728 60.6504 37.7655 178.1160 104 L 4.1821 7.9210 120.3565 57.4497 41.6528 179.0112 105 E 3.9556 7.8966 119.0544 59.2565 29.6500 178.6526 106 F 4.4730 7.8265 117.8716 60.8419 38.9061 177.5795 107 I 3.8911 8.1894 118.0978 63.8820 37.7096 178.0339 108 S 4.1826 8.2775 116.4094 61.6769 62.6124 176.4451 109 E 4.0438 8.5093 120.9698 59.3652 29.1284 179.3163 110 A 4.0130 8.1255 120.8030 55.1197 18.3772 179.6439 111 I 3.6666 8.1150 118.6349 64.7912 37.2401 178.7732 112 I 3.8254 8.0332 120.5750 64.4852 36.9279 177.9629 113 H 4.0895 8.5388 119.2665 59.4405 29.7271 177.5228 114 V 3.5770 8.0779 120.1635 65.9333 31.2808 177.8918 115 L 3.7499 8.0085 118.9808 57.9307 41.0656 179.0307 116 H 4.4129 7.9323 117.3444 59.2838 29.8948 177.2342 117 S 4.1681 7.8467 116.2239 61.5430 62.7622 176.3789 118 R 4.0873 7.8016 119.0538 57.5470 31.0906 176.4488 119 H 5.0444 8.2233 116.1480 54.1260 29.9435 173.3038 120 P 4.3280 0.0000 0.0000 65.8043 31.6649 179.0204 121 G 3.7396 8.1548 106.3835 47.4421 0.0000 173.5587 122 D 5.0638 8.0744 118.2614 53.9845 41.5901 176.2803 123 F 4.9675 8.0994 121.0371 56.3670 39.6901 174.6960 124 G 3.8703 7.9716 107.4749 43.9093 0.0000 172.9629 125 A 3.9501 8.4198 121.0279 54.9918 18.2110 179.4409 126 D 4.1905 7.9651 116.8884 56.7505 39.3967 178.6730 127 A 3.9468 7.7664 122.1785 54.4209 18.3372 179.1412 128 Q 3.1786 7.9917 118.6094 59.0448 29.0581 178.8762 129 G 3.4763 8.2614 106.8646 47.5537 0.0000 175.5265 130 A 3.8566 7.9440 123.1413 55.1587 18.3376 179.4163 131 M 3.9900 8.3613 117.0778 58.6255 32.2788 177.7103 132 N 4.2838 8.4435 117.5558 56.9019 39.0338 176.9536 133 K 4.0859 8.1282 119.4150 59.3501 32.0800 179.2382 134 A 3.8246 8.0531 121.2055 55.1714 18.2976 179.6998 135 L 4.1339 8.3010 117.6157 57.5653 41.7067 179.4548 136 E 3.9951 8.6289 119.3740 59.2638 29.3402 179.0493 137 L 3.9861 8.2264 120.5386 57.9757 42.1111 178.4526 138 F 4.1277 8.3292 120.6730 61.7147 39.2290 177.4101 139 R 3.5637 8.2373 117.3116 58.8635 29.8332 178.8480 140 K 3.7933 8.4102 119.7902 59.8590 31.9894 178.6050 141 D 4.3529 8.2106 119.0326 57.2163 40.6700 178.8414 142 I 3.5270 7.6468 120.3246 64.2190 36.9373 178.2555 143 A 3.6994 8.1379 121.7705 55.0218 18.1301 179.5642 144 A 3.9359 7.9668 119.3275 55.1750 18.4146 180.0940 145 K 4.0002 7.8584 117.0293 59.7424 32.0554 179.0692 146 Y 4.1492 8.5599 117.5360 61.1196 37.8270 178.8072 147 K 3.9370 8.4155 120.6826 59.3484 32.0772 178.1961 148 E 3.9420 8.0335 118.6527 59.4587 29.6699 178.3521 149 L 4.4272 7.8042 115.4264 54.9508 41.9220 177.5250 150 G 3.7829 8.0607 107.1640 46.3594 0.0000 173.7123 151 Y 4.3607 8.3584 116.6217 58.3374 38.8636 176.7537 *152 Q 4.2032 8.1584 124.0570 55.2892 28.9466 179.4097 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 1 V 8.05 4.09 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 1.04 0.00 0.00 0.96 0.00 0.00 2 L 8.28 3.98 0.00 0.83 0.63 0.56 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.18 4.50 0.00 4.02 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 4 E 8.83 4.23 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 2.43 2.60 0.00 5 G 8.15 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 6 E 8.13 3.91 0.00 2.03 1.71 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 2.21 2.26 0.00 7 W 8.26 4.42 0.00 3.56 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 8 Q 8.62 4.13 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.89 0.00 9 L 7.98 4.06 0.00 1.93 1.76 0.94 0.81 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 V 7.97 3.75 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 1.23 0.00 0.00 0.91 0.00 0.00 11 L 8.57 4.32 0.00 1.91 1.81 0.94 1.05 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 12 H 8.38 4.23 0.00 3.28 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.91 3.74 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 0.99 0.00 0.00 0.82 0.00 0.00 14 W 8.58 3.91 0.00 3.65 3.20 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 15 A 8.09 4.04 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 16 K 7.68 3.91 0.00 1.44 1.56 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.43 7.81 17 V 7.01 2.94 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 0.00 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 18 E 7.37 4.01 0.00 1.90 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 2.18 2.15 0.00 19 A 7.50 4.19 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 20 D 7.91 4.65 0.00 2.68 2.51 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 21 V 7.82 3.42 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 0.98 0.00 0.00 0.85 0.00 0.00 22 A 7.99 4.07 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 23 G 8.55 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.26 4.19 0.00 3.28 3.23 0.00 5.82 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 25 G 8.23 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.93 3.86 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 27 D 7.87 4.30 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.96 3.66 1.98 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 1.51 0.69 0.88 0.00 0.00 29 L 7.85 3.42 0.00 1.24 0.71 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.70 3.59 1.83 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 1.37 0.58 0.88 0.00 0.00 31 R 7.93 3.79 0.00 1.90 1.99 0.00 2.96 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 32 L 7.89 3.94 0.00 1.78 1.54 1.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.16 4.58 0.00 3.10 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 34 K 8.07 4.04 0.00 1.75 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.59 7.81 35 S 8.27 4.27 0.00 3.77 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 36 H 8.06 4.70 0.00 3.03 2.79 0.00 5.63 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 37 P 0.00 4.55 0.00 2.14 2.10 0.00 3.81 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 2.08 2.08 0.00 38 E 8.22 4.09 0.00 2.29 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 2.00 2.40 0.00 39 T 8.15 3.96 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 40 L 7.89 3.58 0.00 1.28 1.75 -0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.68 4.07 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 42 K 7.99 4.43 0.00 1.86 1.67 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.90 7.81 43 F 8.07 4.61 0.00 3.28 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 44 D 8.60 4.43 0.00 2.62 2.72 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 45 R 7.89 3.85 0.00 1.18 0.66 0.00 3.00 0.00 0.00 2.81 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 46 F 7.94 5.07 0.00 2.86 2.70 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 47 K 8.11 4.08 0.00 1.86 2.11 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.45 7.81 48 H 8.13 4.34 0.00 3.30 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.73 4.32 0.00 1.60 1.59 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.48 4.53 0.00 1.77 1.81 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 T 7.51 4.75 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 52 E 8.68 3.88 0.00 2.05 1.98 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 2.36 2.36 0.00 53 A 7.98 3.99 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 54 E 8.05 3.93 0.00 2.14 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 2.36 2.36 0.00 55 M 8.17 4.18 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 56 K 8.26 3.99 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.68 4.44 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 58 S 7.48 4.42 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.81 4.01 0.00 2.14 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 2.40 2.45 0.00 60 D 8.18 4.43 0.00 2.97 2.97 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 61 L 8.08 3.39 0.00 1.40 1.62 -0.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.98 3.85 0.00 1.86 1.96 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.41 3.97 0.00 2.11 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.58 7.81 64 H 8.58 4.42 0.00 3.61 3.58 0.00 5.80 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 65 G 8.33 3.61 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 0.00 66 V 7.70 3.60 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.89 3.89 4.45 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 1.30 0.00 0.00 68 V 7.94 3.59 2.19 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 1.16 0.00 0.00 0.90 0.00 0.00 69 L 8.20 4.22 0.00 1.80 1.92 0.86 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 70 T 8.38 3.95 4.44 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 1.25 0.00 0.00 71 A 8.04 4.02 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 72 L 8.23 3.74 0.00 1.58 1.70 0.23 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 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 0.00 0.00 0.00 74 A 7.67 3.98 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 75 I 7.49 3.78 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 0.94 0.00 0.00 76 L 7.87 3.97 0.00 1.19 1.58 -0.11 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.81 4.00 0.00 1.65 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.81 3.97 0.00 1.87 1.83 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.36 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.73 7.81 79 K 8.35 2.00 0.00 1.23 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.66 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.86 7.81 80 G 7.99 4.11 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 0.00 0.00 0.00 81 H 7.49 4.52 0.00 3.17 3.24 0.00 5.61 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 H 7.26 5.34 0.00 3.27 3.44 0.00 5.65 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 83 E 8.39 4.03 0.00 2.10 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 2.42 2.46 0.00 84 A 7.90 4.04 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 85 E 8.14 4.09 0.00 2.22 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 2.40 2.46 0.00 86 L 8.16 4.06 0.00 1.68 1.64 0.70 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.77 3.87 0.00 1.89 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 88 P 0.00 4.53 0.00 2.33 2.30 0.00 3.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.89 0.00 89 L 7.47 3.97 0.00 1.90 1.88 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.42 4.13 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 91 Q 8.25 3.80 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 92 S 8.27 3.99 0.00 3.89 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 0.00 93 H 8.75 4.16 0.00 3.49 3.58 0.00 5.81 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 94 A 7.72 2.97 -0.03 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 95 T 7.10 3.82 4.11 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 0.76 0.00 0.00 96 K 7.45 4.18 0.00 1.55 1.67 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.16 4.28 0.00 3.01 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.71 3.79 0.00 1.93 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.01 7.81 99 I 7.99 4.28 2.03 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 1.44 1.41 1.09 0.00 0.00 100 P 0.00 4.51 0.00 1.81 1.80 0.00 2.24 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 1.05 1.75 0.00 101 I 8.46 3.44 1.73 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.72 0.00 0.00 102 K 8.00 3.62 0.00 1.76 1.74 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 0.72 7.81 103 Y 8.02 4.03 0.00 3.18 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 0.00 104 L 7.92 4.18 0.00 1.83 1.82 0.63 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.90 3.96 0.00 1.95 1.91 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 2.61 2.43 0.00 106 F 7.83 4.47 0.00 3.19 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.19 3.89 2.03 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 1.58 1.67 1.10 0.00 0.00 108 S 8.28 4.18 0.00 4.19 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 0.00 109 E 8.51 4.04 0.00 2.31 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 2.43 2.59 0.00 110 A 8.13 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.11 3.67 2.09 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 1.60 0.77 1.05 0.00 0.00 112 I 8.03 3.83 2.01 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 1.70 0.76 1.16 0.00 0.00 113 H 8.54 4.09 0.00 3.38 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.08 3.58 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 0.96 0.00 0.00 0.95 0.00 0.00 115 L 8.01 3.75 0.00 0.91 0.52 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.93 4.41 0.00 3.53 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.85 4.17 0.00 3.95 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 0.00 118 R 7.80 4.09 0.00 1.53 1.48 0.00 2.76 0.00 0.00 2.69 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 119 H 8.22 5.04 0.00 3.16 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.19 2.29 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.15 3.74 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 0.00 122 D 8.07 5.06 0.00 2.75 2.80 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 0.00 123 F 8.10 4.97 0.00 2.99 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 0.00 124 G 7.97 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 0.00 125 A 8.42 3.95 1.26 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 0.00 126 D 7.97 4.19 0.00 2.83 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 0.00 127 A 7.77 3.95 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 0.00 128 Q 7.99 3.18 0.00 1.34 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 129 G 8.26 3.48 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 0.00 130 A 7.94 3.86 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 0.00 131 M 8.36 3.99 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.44 4.28 0.00 2.92 2.93 0.00 0.00 7.23 7.45 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 0.00 133 K 8.13 4.09 0.00 1.84 1.67 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 8.05 3.82 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 0.00 135 L 8.30 4.13 0.00 1.74 1.79 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.63 4.00 0.00 2.19 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 2.34 2.54 0.00 137 L 8.23 3.99 0.00 1.86 1.97 1.03 1.23 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 0.00 138 F 8.33 4.13 0.00 3.12 3.16 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 0.00 139 R 8.24 3.56 0.00 2.02 1.86 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 140 K 8.41 3.79 0.00 1.80 2.04 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.21 4.35 0.00 2.76 2.69 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 0.00 142 I 7.65 3.53 1.32 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.14 0.42 0.00 0.00 143 A 8.14 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.97 3.94 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 0.00 145 K 7.86 4.00 0.00 1.96 1.91 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.62 7.81 146 Y 8.56 4.15 0.00 3.10 3.13 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 0.00 147 K 8.42 3.94 0.00 1.76 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 8.03 3.94 0.00 2.04 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 0.00 2.35 2.39 0.00 149 L 7.80 4.43 0.00 1.93 1.93 0.79 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.06 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 0.00 0.00 0.00 151 Y 8.36 4.36 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 Q 8.16 4.20 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.