NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3147 8.1076 122.4203 52.1743 20.4372 175.3320 3 H 4.7461 7.9403 114.6814 53.7516 32.2642 170.3919 4 T 4.6939 9.4166 112.9597 61.8079 71.4528 173.4725 5 T 5.4778 8.4375 121.9419 62.6889 72.9647 173.0434 6 T 4.7869 9.0843 118.2349 61.0244 71.4407 172.9238 7 S 5.9875 8.2599 122.1049 55.7968 66.9146 172.6101 *9 E 4.2070 8.6046 118.3964 56.8736 30.6320 175.2519 10 I 4.4663 8.2301 123.7461 59.0331 40.2391 175.6475 11 F 4.2190 8.6640 130.1665 55.8523 36.5229 174.3277 12 G 4.0833 7.5650 108.2749 44.7185 0.0000 171.9429 13 S 4.4981 9.3521 116.3942 57.1760 63.9031 175.5687 14 T 3.7465 8.3888 111.8116 65.0209 68.3424 176.0176 15 E 4.0086 8.1190 121.5647 59.1887 29.4642 178.7434 16 Q 4.1314 8.1791 118.1393 58.9057 28.7887 178.7545 17 V 3.6597 7.9868 119.5195 65.7927 31.5205 177.9549 18 W 4.3556 8.6097 128.5192 60.4992 30.2827 177.6886 19 Q 3.8640 7.9798 118.6206 58.7586 28.4860 177.7329 20 L 4.2008 7.4919 120.6618 57.1829 42.4895 177.8637 21 I 4.2774 7.4967 109.6445 60.7461 38.0765 176.7236 22 G 2.1531 7.6117 110.4487 47.4115 0.0000 174.8615 23 G 3.6693 7.5709 109.2239 44.2346 0.0000 174.4058 24 F 3.8806 8.5756 126.1951 60.6552 39.5344 175.1081 25 N 4.5148 7.9380 116.0677 53.5590 38.5006 174.7806 26 S 4.6304 7.8636 112.4021 58.7398 63.4444 175.7994 27 L 3.5195 7.9702 122.9291 57.2039 40.0771 177.7667 28 P 4.3942 0.0000 0.0000 64.8407 31.2217 177.8545 29 D 4.6298 7.9040 118.5480 56.2329 40.8252 176.9305 30 W 5.1880 7.2774 110.0391 55.2729 30.7978 174.4025 31 L 4.3411 7.9187 122.9951 52.3513 42.0297 174.9052 32 P 4.2843 0.0000 0.0000 65.7559 31.7466 177.4968 33 Y 4.2836 8.1402 118.4851 59.5751 39.2254 174.6559 34 I 4.5923 7.3932 120.8984 58.4582 37.2522 173.9694 35 P 4.3431 0.0000 0.0000 64.4283 32.0233 177.2445 36 S 4.6607 7.5286 113.2902 56.7776 65.9644 172.4263 37 S 5.0485 8.4090 119.5427 56.9871 65.4911 173.0423 38 K 4.7185 8.8292 124.1713 55.4665 36.0789 174.8854 39 L 5.3096 8.4695 121.9913 53.7977 44.0495 175.4104 40 T 4.6218 8.4506 111.4625 59.7776 73.3334 172.9561 41 E 3.7596 9.4401 117.1056 57.6558 26.8098 175.7917 42 G 3.9953 9.3095 102.3964 46.7250 0.0000 175.4037 43 G 4.0207 8.1820 106.8085 44.9190 0.0000 175.5534 44 R 4.0355 7.9162 118.7753 57.5769 30.7284 176.2666 45 V 5.3611 7.7321 117.2728 60.8798 35.4537 174.2632 46 R 5.0442 9.0743 122.5913 54.7272 32.6369 173.7474 47 H 5.0367 9.5160 120.4275 54.4034 30.5380 174.1245 48 L 5.2318 9.3052 123.3851 52.7645 45.4036 175.3438 49 A 5.0676 8.0864 121.9441 50.3141 21.7940 176.2878 50 N 4.8879 8.4426 119.7558 49.8919 39.2221 174.2115 51 P 4.1534 0.0000 0.0000 65.1040 31.2712 177.1307 52 D 4.5153 8.1481 116.1348 53.9190 41.0807 177.3182 53 G 3.8952 8.2440 108.1531 45.2759 0.0000 173.9521 54 E 4.0943 8.1963 120.5607 56.1724 30.1437 175.8766 55 T 4.9035 8.0984 113.0231 60.8442 70.7282 174.0157 56 I 4.7270 8.6359 124.5441 59.5875 40.9496 174.2804 57 I 4.8519 8.7416 127.7830 59.5843 39.3470 174.9491 58 E 5.1925 9.0368 125.7283 54.5490 34.0384 174.6020 59 R 5.2222 9.2992 122.6970 54.3227 33.1133 174.6111 60 L 4.0020 9.0857 129.2815 55.5013 41.8945 175.7715 61 E 4.6005 9.6883 126.1307 57.7655 31.2744 176.7062 62 V 4.6730 7.6688 117.2615 61.4570 35.5648 173.5078 63 F 5.1370 8.5317 127.3343 56.9181 42.9083 173.1746 64 N 4.2996 7.7671 124.2380 51.9379 41.2494 174.2776 65 D 4.2992 8.4686 126.9992 57.1569 41.7971 178.3338 66 K 3.8332 7.9577 118.5500 59.1891 32.2490 176.9361 67 E 4.1126 8.4971 115.6352 55.4617 30.2855 176.2148 68 R 2.0000 6.7709 117.8857 55.5220 28.0363 174.4099 69 Y 5.4005 6.6861 114.4346 56.1909 42.4034 175.0832 70 Y 5.5106 8.9958 117.9144 56.0230 42.1565 173.8596 71 T 5.5165 9.6421 118.3238 62.2592 72.1965 172.6836 72 Y 5.6870 9.2341 122.7609 55.7363 42.2707 173.8336 73 S 5.4739 9.4564 115.0545 57.0213 66.1797 173.5329 74 I 4.7415 8.3856 122.3388 60.2800 39.4879 174.7904 *76 N 4.5948 8.3999 119.0418 53.5293 39.8398 173.9888 77 A 4.3514 8.1104 123.4423 51.0418 21.7222 173.2208 78 P 4.5371 0.0000 0.0000 63.2031 32.0196 175.9136 79 F 5.1087 7.3863 116.8829 56.2586 41.9401 174.8619 80 P 4.7913 0.0000 0.0000 62.2421 29.1941 174.9329 81 V 5.1017 7.3473 111.5298 61.3215 36.7498 175.7027 82 T 4.6433 9.2670 115.8945 60.8558 71.4811 172.3062 83 N 4.3862 8.7265 119.7854 54.6941 37.4719 173.2734 84 Y 4.8476 8.0525 117.8640 56.7471 40.6612 173.7012 85 L 5.1445 8.5636 128.1112 53.3645 45.7941 174.9642 86 S 5.0264 9.0391 119.7089 56.8324 66.5848 172.5393 87 T 5.1861 9.1175 121.1495 61.8733 72.5906 172.8003 88 I 4.7038 8.3054 126.4474 59.4251 40.1219 174.4806 89 Q 4.8043 9.0580 127.2677 54.3969 32.9977 173.8910 90 V 4.3715 8.4456 126.3533 61.5222 32.2022 175.0841 91 K 4.5063 9.0658 128.2882 54.4001 34.6588 176.2239 92 E 4.0802 8.6408 121.8101 57.0906 29.9625 178.1456 93 G 3.8920 8.2472 113.0123 44.8191 0.0000 172.9590 94 T 3.9462 8.3603 108.6297 64.0100 69.1444 173.5022 95 E 4.7067 7.8252 118.8858 53.9806 32.9380 176.0345 96 S 4.0718 8.6316 113.2093 60.9266 62.3240 175.3333 97 N 4.7715 7.9795 116.7844 52.6310 37.4841 173.6355 98 T 4.9665 7.7238 108.4463 59.3155 72.4662 173.0007 99 S 4.6436 8.3426 114.0930 57.0783 66.9150 173.0523 100 L 4.6171 8.8401 125.1467 53.8461 43.6078 175.0806 101 V 4.5731 8.2447 126.9275 61.3993 33.4452 173.7755 102 E 5.1530 9.1696 129.2476 54.0743 32.6527 174.1605 103 W 5.4081 9.2215 135.0000 55.6609 33.5615 174.0707 104 S 5.4917 9.4032 121.2510 56.9491 66.5876 173.1116 105 G 4.7961 9.1849 106.6179 44.9675 0.0000 171.4179 106 T 5.0186 8.4920 116.1328 60.0149 70.4980 172.6730 107 F 5.3125 8.3432 121.4990 56.5193 41.4765 173.4369 108 T 4.6971 8.9492 118.1548 61.1307 70.0253 172.6420 109 P 4.9646 0.0000 0.0000 62.8957 32.3493 176.0147 110 V 4.3090 8.7524 121.2919 61.9715 33.8428 176.0535 111 A 3.8186 9.2051 129.1567 52.5928 16.5724 176.5377 112 V 4.5656 7.2361 107.8432 58.6591 35.6486 175.9839 113 S 4.5339 8.2082 116.0281 57.7945 65.2773 174.8396 114 D 4.4304 8.5669 122.1242 57.6561 40.4723 179.0029 115 E 3.9288 8.1140 118.3799 59.4009 29.6712 178.7256 116 E 3.8732 8.0386 118.5614 59.2568 29.6622 178.7773 117 A 3.8943 8.0723 120.5646 55.2183 18.5445 179.5708 118 I 3.8399 8.2167 118.7321 64.7642 37.1346 178.3627 119 N 4.2464 8.4015 117.5403 56.0988 38.4589 177.0787 120 L 3.6932 7.5890 121.3276 58.2663 42.0948 178.9519 121 V 2.7869 7.1740 117.9320 65.9865 31.3716 177.1429 122 H 3.6661 8.4546 118.2372 59.3627 29.5621 177.4678 123 G 3.5015 8.0929 107.5575 47.6113 0.0000 175.9045 124 I 3.4498 7.0355 121.5940 64.1346 36.9522 177.9086 125 Y 3.3289 7.4963 117.7029 60.9037 37.6787 178.4477 126 S 4.1302 8.5166 114.0485 61.9104 62.4772 176.1781 127 D 4.5453 8.1703 121.4112 57.1330 40.4220 179.1546 128 G 3.9655 8.3364 106.3483 48.1278 0.0000 175.9126 129 L 4.3257 8.5638 122.2243 57.0804 41.6875 179.4989 130 K 3.8952 8.3317 119.5719 59.6011 32.0304 178.7628 131 A 4.1121 8.3495 121.0548 55.0388 18.0570 179.3794 132 L 4.2332 8.4278 118.9445 58.4080 42.6261 178.9456 133 Q 4.3099 9.0040 118.0552 59.5765 28.5013 178.0979 134 H 4.5085 8.4285 117.5990 58.2964 28.5846 177.5849 135 A 4.0273 7.9171 124.3461 55.1839 18.3772 178.6927 136 F 4.6122 8.0435 111.3095 57.7921 38.6623 176.2258 137 L 4.6457 7.6643 120.1174 54.6416 43.0187 176.4012 138 D 4.5158 7.7990 123.4518 54.4037 40.8304 176.1354 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 A 8.11 4.31 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 7.94 4.75 0.00 3.19 3.04 0.00 5.57 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.42 4.69 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 1.31 0.00 0.00 5 T 8.44 5.48 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 1.37 0.00 0.00 6 T 9.08 4.79 4.13 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 1.37 0.00 0.00 7 S 8.26 5.99 0.00 3.77 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 *9 E 8.60 4.21 0.00 2.03 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 2.22 2.30 0.00 10 I 8.23 4.47 1.63 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 0.99 0.98 0.29 0.00 0.00 11 F 8.66 4.22 0.00 3.13 3.14 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 12 G 7.56 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 9.35 4.50 0.00 3.98 3.99 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 14 T 8.39 3.75 4.16 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 1.12 0.00 0.00 15 E 8.12 4.01 0.00 2.08 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 2.44 2.47 0.00 16 Q 8.18 4.13 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 17 V 7.99 3.66 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 0.91 0.00 0.00 0.40 0.00 0.00 18 W 8.61 4.36 0.00 3.41 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 19 Q 7.98 3.86 0.00 2.35 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 20 L 7.49 4.20 0.00 1.73 1.92 1.00 1.06 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 21 I 7.50 4.28 1.13 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 -0.24 0.00 0.00 22 G 7.61 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.57 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 24 F 8.58 3.88 0.00 2.50 2.94 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 0.00 0.00 0.00 25 N 7.94 4.51 0.00 2.63 2.71 0.00 0.00 6.95 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 26 S 7.86 4.63 0.00 4.15 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 27 L 7.97 3.52 0.00 1.49 1.41 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.39 0.00 2.15 2.32 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 29 D 7.90 4.63 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 30 W 7.28 5.19 0.00 3.53 3.15 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 0.00 0.00 0.00 31 L 7.92 4.34 0.00 0.27 1.05 0.98 0.45 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 32 P 0.00 4.28 0.00 2.15 2.15 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 33 Y 8.14 4.28 0.00 3.00 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 34 I 7.39 4.59 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.37 0.80 0.00 0.00 35 P 0.00 4.34 0.00 2.11 2.12 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 36 S 7.53 4.66 0.00 3.79 3.58 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 37 S 8.41 5.05 0.00 3.73 3.54 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 38 K 8.83 4.72 0.00 1.78 1.77 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 39 L 8.47 5.31 0.00 1.54 1.65 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.45 4.62 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 1.13 0.00 0.00 41 E 9.44 3.76 0.00 2.21 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 2.34 2.27 0.00 42 G 9.31 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 43 G 8.18 4.02 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 0.00 0.00 0.00 44 R 7.92 4.04 0.00 1.97 1.98 0.00 3.06 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 45 V 7.73 5.36 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 1.20 0.00 0.00 1.02 0.00 0.00 46 R 9.07 5.04 0.00 1.54 1.47 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.19 0.00 47 H 9.52 5.04 0.00 3.01 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.31 5.23 0.00 1.43 1.41 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.09 5.07 1.07 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 50 N 8.44 4.89 0.00 1.91 2.27 0.00 0.00 6.86 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.15 0.00 2.07 2.14 0.00 3.37 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 52 D 8.15 4.52 0.00 2.76 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 53 G 8.24 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 54 E 8.20 4.09 0.00 2.05 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 2.26 2.18 0.00 55 T 8.10 4.90 4.19 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 1.16 0.00 0.00 56 I 8.64 4.73 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.83 1.03 0.00 0.00 57 I 8.74 4.85 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.84 0.00 0.00 58 E 9.04 5.19 0.00 1.97 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 2.47 2.31 0.00 59 R 9.30 5.22 0.00 1.95 1.91 0.00 3.28 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 60 L 9.09 4.00 0.00 0.27 1.25 0.58 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.69 4.60 0.00 2.11 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 2.60 2.50 0.00 62 V 7.67 4.67 2.30 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 0.87 0.00 0.00 1.05 0.00 0.00 63 F 8.53 5.14 0.00 3.01 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 64 N 7.77 4.30 0.00 2.17 1.71 0.00 0.00 6.52 8.07 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 65 D 8.47 4.30 0.00 3.10 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 66 K 7.96 3.83 0.00 1.70 1.87 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 67 E 8.50 4.11 0.00 2.09 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 2.26 2.21 0.00 68 R 6.77 2.00 0.00 1.48 0.66 0.00 2.89 0.00 0.00 3.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 69 Y 6.69 5.40 0.00 3.09 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 70 Y 9.00 5.51 0.00 3.44 3.46 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 71 T 9.64 5.52 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 1.34 0.00 0.00 72 Y 9.23 5.69 0.00 3.58 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 73 S 9.46 5.47 0.00 4.07 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 74 I 8.39 4.74 2.05 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 1.69 1.05 0.98 0.00 0.00 *76 N 8.40 4.59 0.00 2.71 2.74 0.00 0.00 6.51 7.74 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 77 A 8.11 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.54 0.00 2.02 1.94 0.00 2.74 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.77 0.00 79 F 7.39 5.11 0.00 2.94 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 80 P 0.00 4.79 0.00 2.26 2.26 0.00 3.74 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 2.08 2.02 0.00 81 V 7.35 5.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.93 0.00 0.00 82 T 9.27 4.64 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 1.30 0.00 0.00 83 N 8.73 4.39 0.00 2.93 2.93 0.00 0.00 6.92 7.54 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 84 Y 8.05 4.85 0.00 3.30 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.56 5.14 0.00 1.76 1.36 1.03 0.49 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 86 S 9.04 5.03 0.00 3.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 9.12 5.19 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 1.23 0.00 0.00 88 I 8.31 4.70 1.19 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.54 0.47 0.00 0.00 89 Q 9.06 4.80 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 90 V 8.45 4.37 1.93 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 0.76 0.00 0.00 1.11 0.00 0.00 91 K 9.07 4.51 0.00 1.72 1.61 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.31 7.81 92 E 8.64 4.08 0.00 1.78 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 0.00 2.24 2.25 0.00 93 G 8.25 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 0.00 0.00 0.00 94 T 8.36 3.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 95 E 7.83 4.71 0.00 1.99 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 2.03 2.30 0.00 96 S 8.63 4.07 0.00 3.98 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 97 N 7.98 4.77 0.00 2.84 3.02 0.00 0.00 5.78 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 98 T 7.72 4.97 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 0.48 0.00 0.00 99 S 8.34 4.64 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.84 4.62 0.00 1.87 1.52 0.91 0.74 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 0.00 101 V 8.24 4.57 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 0.79 0.00 0.00 0.80 0.00 0.00 102 E 9.17 5.15 0.00 2.02 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 2.24 0.00 103 W 9.22 5.41 0.00 3.31 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 9.40 5.49 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 9.18 4.80 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 0.00 0.00 0.00 106 T 8.49 5.02 4.15 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 0.00 0.00 1.17 0.00 0.00 107 F 8.34 5.31 0.00 3.20 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 0.00 108 T 8.95 4.70 4.46 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 1.26 0.00 0.00 109 P 0.00 4.96 0.00 2.33 2.21 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 110 V 8.75 4.31 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 0.98 0.00 0.00 1.04 0.00 0.00 111 A 9.21 3.82 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 0.00 112 V 7.24 4.57 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 0.85 0.00 0.00 1.01 0.00 0.00 113 S 8.21 4.53 0.00 4.05 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 0.00 114 D 8.57 4.43 0.00 2.78 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 0.00 115 E 8.11 3.93 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 2.39 2.41 0.00 116 E 8.04 3.87 0.00 2.06 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 2.29 2.32 0.00 117 A 8.07 3.89 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 0.00 118 I 8.22 3.84 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.83 0.91 0.00 0.00 119 N 8.40 4.25 0.00 2.78 2.80 0.00 0.00 6.71 6.52 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 0.00 120 L 7.59 3.69 0.00 1.75 1.50 0.87 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.17 2.79 1.64 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 0.07 0.00 0.00 0.04 0.00 0.00 122 H 8.45 3.67 0.00 3.19 3.21 0.00 5.84 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 0.00 123 G 8.09 3.50 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 0.00 0.00 0.00 124 I 7.04 3.45 1.49 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.37 0.61 0.00 0.00 125 Y 7.50 3.33 0.00 2.77 2.65 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 0.00 126 S 8.52 4.13 0.00 3.82 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 0.00 127 D 8.17 4.55 0.00 2.78 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 0.00 128 G 8.34 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 0.00 129 L 8.56 4.33 0.00 1.87 1.87 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.33 3.90 0.00 2.19 1.98 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 131 A 8.35 4.11 1.58 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 0.00 0.00 132 L 8.43 4.23 0.00 2.00 1.99 0.96 0.26 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 0.00 133 Q 9.00 4.31 0.00 2.39 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 134 H 8.43 4.51 0.00 3.50 3.43 0.00 5.64 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 0.00 135 A 7.92 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.04 4.61 0.00 3.29 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.66 4.65 0.00 1.81 1.68 1.05 1.01 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 0.00 138 D 7.80 4.52 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.