NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 3.1618 8.0549 120.3198 61.6174 32.8916 175.3224 5 P 4.2941 0.0000 0.0000 61.1172 32.1005 171.9039 6 E 4.3341 8.6545 121.3678 57.2051 31.0726 176.6655 7 G 3.8862 9.1412 113.9646 45.7821 0.0000 173.5827 8 Y 4.3265 7.7061 115.5903 57.7085 39.2677 177.1797 9 E 3.8837 8.1134 120.8430 58.9196 29.6129 178.3522 10 S 4.5935 8.0175 115.3601 60.6526 62.8629 176.3800 11 L 4.0486 7.7461 122.6535 57.9217 41.2346 179.4310 12 L 4.3459 7.8647 117.1100 57.1790 41.7060 178.6936 13 E 4.3324 7.9556 118.2314 57.1987 29.6889 176.8073 14 R 4.3263 7.1611 117.7343 54.7722 31.2908 175.5888 15 P 3.4916 0.0000 0.0000 61.2391 29.5952 175.2586 16 L 4.8516 7.1054 123.2899 53.7433 44.6146 175.8426 17 Y 4.2968 8.9163 119.1659 57.7787 38.4013 175.5014 18 G 4.2549 9.2968 111.8802 45.6368 0.0000 172.1949 19 H 5.2075 9.1412 120.5230 53.8775 30.3802 173.6619 20 L 4.6053 8.9068 127.2474 53.6855 43.5414 174.9453 21 A 5.3349 9.2308 129.3172 50.8063 21.0657 175.8335 22 T 4.8833 8.8630 111.7516 59.8252 73.0977 172.5912 23 V 4.6937 8.0963 121.0574 61.1023 33.4533 175.6784 24 R 4.6605 8.9186 126.5336 54.3168 30.8598 175.7691 25 P 4.1795 0.0000 0.0000 65.7530 31.2981 177.3395 26 D 4.4843 8.0417 114.8631 53.4794 39.4967 177.1178 27 G 3.9083 8.3895 108.8101 45.8370 0.0000 173.6711 28 T 4.5001 7.9305 110.2677 59.2467 70.6970 172.4611 29 P 5.0621 0.0000 0.0000 62.6405 32.9734 174.8132 30 Q 4.7674 8.9987 120.9189 54.5287 32.9842 173.9975 31 V 4.9927 8.2283 122.8691 60.3288 34.5626 174.0278 32 N 5.1335 9.0557 120.6744 51.3156 42.5524 174.0678 33 A 4.9491 8.4699 124.2228 50.7928 19.7021 176.7712 *35 W 4.0893 8.3226 118.4363 56.6336 30.1943 174.7418 36 F 5.2088 8.3537 114.2350 55.7070 40.9815 173.3222 37 A 4.8015 9.0912 120.8891 49.9425 21.8912 174.7021 38 W 5.4868 9.1972 132.6716 55.5150 32.6211 175.1959 39 D 4.5817 8.2029 124.8929 52.8719 39.0998 177.1021 40 G 3.6144 5.9079 109.2138 45.0851 0.0000 174.2026 41 E 4.3249 6.9413 113.8831 57.0460 31.9302 176.1322 42 V 4.8868 7.8994 111.5188 59.1075 36.4739 174.6551 43 L 5.2830 9.0025 122.6198 53.8857 43.8098 176.0067 44 R 5.1986 8.9504 121.2364 54.4798 33.9096 174.5990 45 F 5.4895 9.1170 120.5475 56.0427 43.3399 173.7655 46 T 5.2928 9.0705 116.3205 61.8134 68.5013 173.4337 47 H 5.2672 9.2773 124.2067 54.6940 33.8525 172.4196 48 T 5.1037 8.3818 110.2404 60.3011 70.9403 174.6097 49 T 2.5638 8.0414 111.4950 62.2279 68.5851 175.4668 50 K 4.1957 7.6640 121.6440 57.6530 33.0197 177.6069 51 R 4.5261 7.5496 117.8539 54.5869 32.9863 176.6703 52 Q 4.0356 8.6193 121.6333 59.4906 29.0897 179.0926 53 K 4.0312 8.0457 119.2569 60.0072 32.5648 178.3715 54 Y 4.1067 8.0523 120.1766 60.7324 38.7233 178.1210 55 R 3.8690 8.0133 118.5681 59.1360 29.9794 178.7247 56 N 4.3246 8.5581 117.0238 56.4477 38.4135 177.4809 57 I 4.3922 7.2308 113.4798 63.0725 37.8165 178.0003 58 K 3.8788 7.6375 119.6804 58.7714 31.8295 178.2592 59 A 4.6067 7.4809 119.7300 52.2380 19.7539 176.6093 60 N 4.6370 8.2324 116.2131 51.6730 40.6004 172.4573 61 P 4.6363 0.0000 0.0000 63.5181 32.7756 175.5263 62 A 4.7017 8.1576 123.9762 52.0129 19.2169 177.3451 63 V 4.7018 8.8938 114.8738 60.0869 37.0286 174.1823 64 A 5.3447 8.1628 120.9333 50.9471 22.6461 174.5266 *66 S 4.6763 8.5575 108.8009 58.6980 64.0396 174.2028 67 V 4.9790 8.8434 118.8975 59.7325 35.8282 174.2184 68 I 5.0022 8.4389 123.6034 58.9593 41.5614 174.3149 69 D 4.5738 9.1492 128.4412 53.3168 41.1400 175.4116 70 P 4.4889 0.0000 0.0000 64.8154 31.6101 176.5936 71 D 4.6248 8.2492 117.7928 54.7220 41.6260 176.4341 72 N 4.5681 7.8281 115.8651 52.2262 40.1074 172.7683 73 P 4.3774 0.0000 0.0000 64.9016 31.6500 177.6833 74 Y 4.5007 7.9757 115.1725 59.8004 38.0894 175.6747 75 R 4.9076 8.3060 120.5338 54.6889 32.0890 175.0285 76 Y 5.4050 8.1098 120.6962 56.4355 41.8642 173.0123 77 L 4.8573 9.2239 120.8726 53.7898 46.2499 173.5746 78 E 4.8735 9.4250 127.2918 54.4053 32.3272 174.3987 79 V 4.4521 8.2906 126.6561 61.2788 33.8091 174.3543 80 R 4.7409 8.3505 127.6188 55.3619 32.3547 175.9759 81 G 4.1443 8.2513 108.0470 46.1698 0.0000 171.6168 82 L 5.2792 8.0290 119.1378 52.3820 44.8169 176.8387 83 V 4.2385 8.7645 124.4299 63.3442 31.3381 175.3584 84 E 4.6894 9.3060 125.8154 56.4877 31.3286 175.3382 85 D 4.7599 7.7631 118.7571 53.1997 45.1456 173.9165 86 I 4.9607 8.2795 123.2590 59.7631 40.5379 174.7343 87 V 4.4669 8.7085 128.6747 59.9133 33.4689 173.2516 88 P 4.5655 0.0000 0.0000 62.5865 31.7634 175.9802 89 D 5.0277 8.8304 120.9225 52.8345 41.1531 175.0782 90 P 4.5516 0.0000 0.0000 65.3165 32.0389 177.7377 91 T 4.0944 7.9742 107.7574 61.5395 69.5390 175.4831 92 G 3.9560 8.6273 110.8715 46.5580 0.0000 175.3356 93 A 4.0347 7.9324 124.1279 55.1110 18.2855 180.4180 94 F 4.1395 8.8630 119.1411 61.4006 39.4391 176.5411 95 Y 4.0264 8.2587 119.3348 61.0263 38.5569 178.4609 96 L 4.1616 8.4011 119.6783 57.3280 41.6453 179.4414 97 K 3.7719 7.9338 119.8534 59.3946 32.1656 178.8451 98 L 3.5539 7.2057 119.1134 57.5468 41.5703 178.8116 99 N 3.1400 7.7440 117.2624 56.4250 38.8514 176.3074 100 D 4.1591 7.9067 119.1888 57.3998 41.1371 178.2690 101 R 3.7078 7.5084 117.7411 58.7927 30.0466 177.0148 102 Y 3.9667 7.3382 113.8051 56.3058 38.7257 174.9046 103 D 4.2644 7.6747 119.0601 55.1617 39.0793 173.6886 104 G 4.4684 8.4096 106.5934 44.0212 0.0000 172.1503 105 P 4.5554 0.0000 0.0000 63.6799 32.0089 176.7238 106 L 4.3413 8.1762 119.8346 54.9714 42.1410 176.6430 107 T 4.5739 8.4636 110.5768 61.5113 69.9811 173.4352 108 E 4.7694 7.7422 120.0030 53.9111 33.7611 173.0008 109 P 4.3857 0.0000 0.0000 61.9883 32.2107 174.9418 110 P 4.1330 0.0000 0.0000 62.6250 31.5775 177.3865 111 A 3.9710 8.4531 123.5966 55.0557 18.6148 177.9120 112 D 4.7607 7.8571 114.5126 53.1178 39.9439 178.1388 113 K 3.7233 7.8604 121.8490 60.4367 32.3873 178.8040 114 A 3.9752 8.0494 121.0150 54.6704 18.5534 177.3434 115 D 4.8486 8.3357 114.1208 54.2311 42.3829 176.7925 116 R 4.7524 8.0332 119.4168 56.2139 31.6919 176.0453 117 V 5.0735 9.0305 115.1528 59.9567 37.0530 174.1354 118 I 4.8306 8.8153 122.7633 59.8273 39.4897 175.0372 119 I 4.5174 8.8806 129.0830 60.1163 38.8876 174.8410 120 V 4.8124 8.7212 127.8759 61.1508 33.6406 174.3494 121 V 4.9105 9.0941 128.5144 61.1486 34.3994 173.9060 122 R 4.8725 8.7801 128.8599 54.0566 31.4471 173.7845 123 P 4.8430 0.0000 0.0000 63.1855 31.5688 176.2757 124 T 4.5738 8.6816 111.8853 62.0650 70.8607 174.0737 125 A 4.6029 7.1334 121.8214 50.8340 22.7000 174.9888 126 F 5.2722 8.7903 118.7210 55.6130 42.3591 174.6562 127 S 4.7843 9.3380 118.6294 56.2134 65.7418 174.6397 128 K 4.2706 8.7972 120.2550 55.2449 33.0874 175.9238 129 Q 4.7260 7.6389 122.3409 57.0988 28.2565 174.1555 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 4 V 8.05 3.16 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 0.58 0.00 0.00 0.06 0.00 0.00 5 P 0.00 4.29 0.00 2.17 1.88 0.00 3.47 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 1.93 2.07 0.00 6 E 8.65 4.33 0.00 1.92 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 2.28 2.36 0.00 7 G 9.14 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 8 Y 7.71 4.33 0.00 3.23 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 9 E 8.11 3.88 0.00 2.00 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 2.54 2.39 0.00 10 S 8.02 4.59 0.00 4.06 4.09 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 11 L 7.75 4.05 0.00 1.93 1.86 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.86 4.35 0.00 1.35 1.31 -0.26 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.96 4.33 0.00 2.16 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 2.50 2.67 0.00 14 R 7.16 4.33 0.00 2.02 1.80 0.00 3.15 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 15 P 0.00 3.49 0.00 1.25 1.30 0.00 3.55 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 1.72 1.66 0.00 16 L 7.11 4.85 0.00 1.90 1.84 1.04 1.03 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 17 Y 8.92 4.30 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 9.30 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 0.00 0.00 0.00 0.00 19 H 9.14 5.21 0.00 3.04 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.91 4.61 0.00 1.58 1.39 0.66 0.42 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 21 A 9.23 5.33 1.21 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 0.00 0.00 0.00 22 T 8.86 4.88 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 1.15 0.00 0.00 23 V 8.10 4.69 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 0.82 0.00 0.00 0.91 0.00 0.00 24 R 8.92 4.66 0.00 2.11 1.82 0.00 3.20 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 25 P 0.00 4.18 0.00 2.03 2.12 0.00 3.66 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 2.02 2.07 0.00 26 D 8.04 4.48 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 27 G 8.39 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 28 T 7.93 4.50 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 1.29 0.00 0.00 29 P 0.00 5.06 0.00 2.08 2.07 0.00 3.70 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 1.96 1.94 0.00 30 Q 9.00 4.77 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 31 V 8.23 4.99 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 0.79 0.00 0.00 0.97 0.00 0.00 32 N 9.06 5.13 0.00 2.59 2.66 0.00 0.00 6.60 6.98 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 33 A 8.47 4.95 1.18 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 0.00 0.00 *35 W 8.32 4.09 0.00 3.16 2.43 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 36 F 8.35 5.21 0.00 2.66 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 37 A 9.09 4.80 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 38 W 9.20 5.49 0.00 3.51 3.23 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 39 D 8.20 4.58 0.00 2.67 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 40 G 5.91 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 41 E 6.94 4.32 0.00 1.93 1.80 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 2.16 2.19 0.00 42 V 7.90 4.89 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 0.90 0.00 0.00 0.87 0.00 0.00 43 L 9.00 5.28 0.00 1.80 1.41 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.95 5.20 0.00 1.80 1.45 0.00 3.01 0.00 0.00 2.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 45 F 9.12 5.49 0.00 3.14 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 46 T 9.07 5.29 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 47 H 9.28 5.27 0.00 3.26 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.38 5.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 49 T 8.04 2.56 3.60 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 0.82 0.00 0.00 50 K 7.66 4.20 0.00 1.68 1.87 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.32 7.81 51 R 7.55 4.53 0.00 1.87 1.84 0.00 3.11 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 52 Q 8.62 4.04 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 53 K 8.05 4.03 0.00 2.02 2.20 0.00 1.37 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.45 7.81 54 Y 8.05 4.11 0.00 3.27 3.24 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 55 R 8.01 3.87 0.00 2.05 1.98 0.00 3.23 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 56 N 8.56 4.32 0.00 2.86 2.98 0.00 0.00 6.75 6.95 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 57 I 7.23 4.39 1.78 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 1.71 1.41 0.85 0.00 0.00 58 K 7.64 3.88 0.00 1.69 1.75 0.00 1.43 0.00 0.00 1.20 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.78 0.97 7.81 59 A 7.48 4.61 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 60 N 8.23 4.64 0.00 2.63 2.61 0.00 0.00 6.83 8.23 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 61 P 0.00 4.64 0.00 2.13 2.23 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 62 A 8.16 4.70 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 63 V 8.89 4.70 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 64 A 8.16 5.34 1.18 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 0.00 0.00 *66 S 8.56 4.68 0.00 3.97 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 67 V 8.84 4.98 2.25 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 0.70 0.00 0.00 0.97 0.00 0.00 68 I 8.44 5.00 1.96 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 1.32 1.26 0.98 0.00 0.00 69 D 9.15 4.57 0.00 2.88 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 70 P 0.00 4.49 0.00 2.27 2.24 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 71 D 8.25 4.62 0.00 2.84 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 72 N 7.83 4.57 0.00 2.75 2.69 0.00 0.00 7.06 7.62 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 73 P 0.00 4.38 0.00 1.84 2.03 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.05 0.00 74 Y 7.98 4.50 0.00 3.22 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 75 R 8.31 4.91 0.00 1.91 1.83 0.00 3.06 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 76 Y 8.11 5.40 0.00 3.23 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 77 L 9.22 4.86 0.00 1.84 1.55 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.43 4.87 0.00 2.08 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 2.17 2.21 0.00 79 V 8.29 4.45 1.95 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 0.51 0.00 0.00 0.87 0.00 0.00 80 R 8.35 4.74 0.00 1.69 1.74 0.00 3.17 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 81 G 8.25 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 0.00 0.00 0.00 82 L 8.03 5.28 0.00 1.61 1.54 0.91 0.95 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 83 V 8.76 4.24 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 0.74 0.00 0.00 0.91 0.00 0.00 84 E 9.31 4.69 0.00 1.95 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 2.35 2.22 0.00 85 D 7.76 4.76 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.28 4.96 1.93 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 1.27 0.79 1.10 0.00 0.00 87 V 8.71 4.47 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 0.82 0.00 0.00 0.92 0.00 0.00 88 P 0.00 4.57 0.00 2.13 2.07 0.00 3.78 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 2.01 2.00 0.00 89 D 8.83 5.03 0.00 2.78 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 90 P 0.00 4.55 0.00 2.23 2.18 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 91 T 7.97 4.09 4.27 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 1.24 0.00 0.00 92 G 8.63 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 0.00 0.00 0.00 93 A 7.93 4.03 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 94 F 8.86 4.14 0.00 3.27 3.41 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 95 Y 8.26 4.03 0.00 3.16 3.21 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 0.00 96 L 8.40 4.16 0.00 1.93 1.73 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.93 3.77 0.00 1.75 1.64 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.38 7.81 98 L 7.21 3.55 0.00 1.44 1.06 1.05 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.74 3.14 0.00 2.80 2.89 0.00 0.00 6.89 8.04 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 0.00 100 D 7.91 4.16 0.00 2.82 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 0.00 101 R 7.51 3.71 0.00 1.61 1.59 0.00 3.10 0.00 0.00 2.88 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.00 102 Y 7.34 3.97 0.00 2.07 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 0.00 103 D 7.67 4.26 0.00 2.79 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 0.00 104 G 8.41 4.47 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 0.00 105 P 0.00 4.56 0.00 2.28 2.27 0.00 4.20 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 106 L 8.18 4.34 0.00 2.01 1.96 1.49 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.46 4.57 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 1.29 0.00 0.00 108 E 7.74 4.77 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 109 P 0.00 4.39 0.00 2.03 2.19 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 110 P 0.00 4.13 0.00 2.02 1.17 0.00 3.65 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 1.86 1.30 0.00 111 A 8.45 3.97 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 0.00 112 D 7.86 4.76 0.00 2.85 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 0.00 113 K 7.86 3.72 0.00 2.12 2.22 0.00 1.32 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.49 7.81 114 A 8.05 3.98 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.34 4.85 0.00 2.53 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 0.00 116 R 8.03 4.75 0.00 2.11 1.97 0.00 3.49 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 117 V 9.03 5.07 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 0.89 0.00 0.00 1.09 0.00 0.00 118 I 8.82 4.83 1.69 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.93 0.19 0.00 0.00 119 I 8.88 4.52 2.05 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 1.06 0.76 0.94 0.00 0.00 120 V 8.72 4.81 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 1.02 0.00 0.00 0.88 0.00 0.00 121 V 9.09 4.91 2.39 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 0.99 0.00 0.00 1.13 0.00 0.00 122 R 8.78 4.87 0.00 2.09 1.82 0.00 3.18 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 123 P 0.00 4.84 0.00 1.91 1.30 0.00 4.06 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.20 0.00 124 T 8.68 4.57 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 1.19 0.00 0.00 125 A 7.13 4.60 1.15 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 0.00 126 F 8.79 5.27 0.00 2.79 2.83 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 0.00 127 S 9.34 4.78 0.00 3.82 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 0.00 128 K 8.80 4.27 0.00 0.79 0.86 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.85 7.81 129 Q 7.64 4.73 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.68 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.