NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2865 8.2644 123.5857 52.2298 18.3708 176.4052 1 M 4.0177 7.5396 122.8530 52.8889 33.4193 175.9104 2 F 4.3606 8.8215 121.2931 58.6886 39.6546 173.6407 3 H 5.2066 6.5943 115.7522 53.6826 32.0355 172.1497 4 Y 4.7446 8.7558 119.6177 56.1664 41.1636 174.3489 5 T 4.9521 7.9186 122.0921 61.7958 72.6173 173.6660 6 V 4.3467 8.4175 117.6587 59.5743 35.6624 174.3946 7 D 5.0652 8.4856 122.7835 53.3646 42.2260 176.1499 8 V 4.6369 8.2246 114.8757 59.6777 34.8901 176.0008 9 S 4.3942 8.6673 115.6406 59.2091 63.7880 174.6791 10 T 4.1734 7.5413 111.2709 60.7472 69.8261 174.6898 11 G 3.8776 8.1507 109.1641 43.9008 0.0000 173.7410 12 M 3.9097 8.5502 118.2135 59.3017 31.9279 177.7610 13 N 4.3045 7.9669 115.3782 56.2537 38.8499 176.9985 14 E 3.8953 8.0804 120.1500 59.5271 29.7303 178.5832 15 T 3.8422 7.9539 115.7571 66.9643 68.5668 176.5223 16 I 3.6846 7.6460 121.2134 64.2178 37.1166 178.1633 17 E 3.9321 8.0578 120.1450 59.4317 29.4435 179.1665 18 R 3.9576 8.3529 118.5495 59.0600 30.0074 178.8375 19 L 3.9450 8.2936 120.5951 58.1176 42.1124 178.7847 20 E 3.9972 8.3143 118.5709 59.5077 29.4067 179.3117 21 E 3.9816 8.0750 118.0345 59.3967 29.5569 179.2255 22 S 4.1053 8.2952 113.3431 61.4246 62.3707 176.2113 23 L 4.0974 8.2957 121.9438 57.7688 41.3470 179.3078 24 K 4.0462 8.1903 119.5098 59.8388 31.9005 178.7807 25 Q 4.0946 8.0719 116.8653 58.0208 28.5889 177.5430 26 E 4.6684 7.5737 117.1341 55.6105 29.6577 176.6217 27 G 3.7540 8.2616 107.7636 45.5350 0.0000 172.9097 28 F 4.8742 8.3929 118.8423 55.4870 40.2582 175.6127 29 G 4.1536 8.4753 114.3336 43.5574 0.0000 172.5321 30 V 4.2525 8.2370 122.0380 62.1580 31.8581 175.8375 31 L 4.4253 8.9472 128.8154 57.3221 42.3607 177.0993 32 W 5.0918 8.0721 125.5735 56.9016 33.9188 173.1450 33 Q 4.7762 7.7299 121.2011 55.2541 31.0687 173.3081 34 F 4.6014 8.1775 113.9109 54.8175 41.8933 173.4753 35 S 4.4688 8.3850 115.5433 57.2359 62.7670 174.9297 36 V 3.2207 7.4527 129.9307 66.0890 31.1620 177.8913 37 T 4.1393 7.8257 114.9457 66.8402 68.3612 175.9012 38 E 3.9332 8.2305 121.0114 59.0918 29.6031 178.6664 39 K 4.0022 8.1440 119.6037 59.7137 32.2552 178.8211 40 L 4.0753 8.2130 119.2317 58.0096 41.5759 179.5879 41 Q 4.0354 8.5835 118.3572 58.7502 28.3612 178.3113 42 E 3.9979 8.4437 120.3363 58.9411 29.7868 178.1837 43 K 4.3562 7.7106 115.3977 56.3089 32.3392 177.6665 44 G 3.8903 7.9638 107.6196 45.8000 0.0000 173.8231 45 L 4.3564 7.8511 119.1821 53.5044 42.7535 176.7268 46 D 4.6450 8.3271 120.4946 53.1546 40.0183 175.0778 47 F 4.8053 8.3150 127.4006 57.2260 41.8555 173.7312 48 S 4.4708 8.1291 121.0079 57.9789 63.4944 173.4481 49 T 4.0539 6.0931 117.8871 61.9512 69.1774 172.7658 50 P 4.3778 0.0000 0.0000 62.9524 32.8758 175.2452 51 M 5.2524 8.8355 123.4507 54.5851 36.3232 173.3369 52 V 4.6242 9.3550 126.0168 61.0699 35.2446 173.8695 53 I 4.8692 8.1051 128.0577 59.5415 39.7178 174.4485 54 L 5.1268 9.0011 126.7513 52.9391 44.9628 175.1717 55 E 4.9999 9.2664 123.2600 55.1415 31.5298 175.5902 56 V 5.1837 8.1701 117.5433 58.3774 36.0546 174.5925 *58 N 4.3108 8.4156 117.7164 53.1376 38.7291 172.7656 59 P 4.2496 0.0000 0.0000 66.0656 31.4740 178.4227 60 Q 3.9680 8.0665 115.8334 59.0974 28.6498 178.7187 61 E 3.9826 8.0615 118.4633 59.1134 29.4735 179.2434 62 A 3.9885 8.2146 120.6844 55.2028 18.5233 179.4546 63 A 3.9606 8.2296 119.5221 55.2236 18.0714 179.7812 64 R 3.8338 7.9247 116.9949 59.8571 30.1414 179.2924 65 V 3.7751 7.8174 112.1372 64.3157 31.3444 178.5800 66 L 4.0205 7.8979 117.9302 57.9093 41.5631 178.9993 67 N 4.5317 8.1812 114.8499 55.1672 38.5502 176.8087 68 E 4.3411 7.5024 119.4115 57.4717 30.2510 176.2880 69 N 4.6902 8.2427 119.5222 51.1729 41.5832 174.1995 70 L 4.0098 8.8417 128.4566 58.4249 42.1357 178.5137 71 L 3.8698 8.0982 118.2135 56.6754 41.3860 179.3873 72 V 4.0281 8.0242 119.6327 64.1137 31.2703 178.3381 73 G 3.8310 8.4024 106.8920 47.8005 0.0000 174.7341 74 Y 4.1917 8.1038 117.3537 59.4748 37.7203 176.4948 75 F 5.1632 8.1200 117.7836 56.9004 40.0422 174.6852 76 L 5.0255 7.6512 120.3227 52.1456 45.2592 174.5321 77 P 4.1219 0.0000 0.0000 64.2526 30.0963 177.7392 *79 K 4.4361 8.7919 120.8388 56.9717 34.0187 174.9009 80 L 5.1258 8.8453 125.4689 52.9793 46.3626 175.5298 81 V 4.8586 9.0795 121.6483 61.1423 35.0066 174.1696 82 V 5.0382 8.8880 128.1600 61.3484 33.9367 173.9139 83 Y 5.2446 8.6714 124.6072 56.1365 42.0580 172.9873 84 Q 4.9463 8.7826 121.1942 54.1951 31.2885 174.3137 85 E 4.6141 9.0380 126.8934 55.7395 32.5259 175.2068 86 N 4.1753 9.8705 122.0491 54.4076 36.2797 175.4364 87 G 3.8984 8.2436 103.4585 45.9589 0.0000 173.7614 88 T 4.5049 8.2534 118.0305 61.7774 70.7647 173.6951 89 T 4.5975 8.0977 122.3936 63.1829 70.2170 173.8619 90 K 4.9451 8.8517 123.6906 54.6382 37.1609 175.1974 91 I 5.0640 8.5300 122.2169 59.6983 40.6959 175.0864 92 G 4.7786 9.6537 113.4657 45.0272 0.0000 170.8633 93 M 5.3477 8.6097 116.1661 53.0502 34.7968 172.5622 94 P 4.8674 0.0000 0.0000 62.4308 32.9678 176.1433 95 K 4.1511 9.2714 123.0481 55.7512 32.6248 176.2680 96 P 4.2251 0.0000 0.0000 66.0294 31.3767 178.7942 97 T 3.8279 8.4676 108.5944 64.9804 68.3569 176.6063 98 M 4.0781 7.7417 120.3723 57.9330 31.8853 178.2567 99 L 3.7594 7.7983 119.0548 57.8685 41.7644 179.9395 100 V 3.7915 7.7621 111.5920 63.2131 31.5690 178.6631 101 G 3.6556 7.7575 106.1996 47.8499 0.0000 175.1713 102 M 4.3244 7.5128 116.3368 57.3616 31.4015 177.6394 103 M 4.2049 8.1450 119.1699 55.1080 32.9248 175.1039 104 N 4.0470 8.0243 116.6983 54.8536 38.1499 175.0534 105 D 4.7169 7.6164 115.9793 51.0191 43.2825 172.2050 106 P 4.2289 0.0000 0.0000 65.4816 31.0416 178.2039 107 A 3.9876 8.0229 118.9362 55.0542 18.2991 179.3057 108 L 3.9514 8.1521 118.7774 58.2013 42.2011 179.0564 109 K 3.9054 8.2287 119.5917 59.4984 31.8913 178.5892 110 E 3.9757 8.2003 119.0120 59.4303 29.3955 179.4030 111 I 3.7371 7.5330 118.4800 64.3091 37.1225 178.3223 112 A 4.0455 8.3088 121.5378 55.1055 18.1316 179.5787 113 A 3.9441 8.1294 119.4960 55.1517 18.0998 179.3998 114 D 4.2655 7.8285 116.7374 57.5915 41.3271 178.6087 115 I 3.8630 7.9058 120.3749 64.2277 37.0199 177.9279 116 E 3.8731 8.5383 120.6026 59.3008 29.4506 178.9472 117 K 3.8193 7.9933 118.3686 59.6439 32.1095 179.5687 118 R 3.9702 7.7542 117.8898 59.2267 30.0392 179.1350 119 L 3.7382 8.0358 118.6427 57.6577 41.5122 179.4515 120 A 4.0808 8.2879 120.8054 54.8814 18.1904 179.5717 121 A 3.9372 7.8879 119.5061 55.5072 18.2460 179.5066 122 C 4.4801 7.6584 115.4067 62.4050 28.4945 176.1815 123 L 4.1538 8.0246 120.3116 58.0580 41.3905 179.2162 124 D 4.4618 8.5699 119.1559 57.5049 40.5725 178.6120 125 R 4.2350 8.0169 115.8737 57.6377 30.2067 177.4057 126 C 4.5038 7.8037 115.8272 59.7971 28.8066 173.7299 127 R 4.0902 7.7239 124.7940 56.4124 29.6764 176.2379 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 0 A 8.26 4.29 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 1 M 7.54 4.02 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 2 F 8.82 4.36 0.00 3.31 3.33 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 0.00 3 H 6.59 5.21 0.00 3.01 2.00 0.00 5.69 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 Y 8.76 4.74 0.00 3.00 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 5 T 7.92 4.95 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 1.21 0.00 0.00 6 V 8.42 4.35 1.97 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 0.50 0.00 0.00 0.89 0.00 0.00 7 D 8.49 5.07 0.00 2.48 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 8 V 8.22 4.64 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 0.67 0.00 0.00 0.90 0.00 0.00 9 S 8.67 4.39 0.00 3.94 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 10 T 7.54 4.17 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 11 G 8.15 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 0.00 0.00 0.00 12 M 8.55 3.91 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 13 N 7.97 4.30 0.00 2.79 2.83 0.00 0.00 6.58 7.66 0.00 0.00 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 E 8.08 3.90 0.00 2.06 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 2.36 2.45 0.00 15 T 7.95 3.84 4.38 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 1.17 0.00 0.00 16 I 7.65 3.68 1.99 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 1.38 0.91 0.89 0.00 0.00 17 E 8.06 3.93 0.00 2.05 2.14 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 2.31 2.35 0.00 18 R 8.35 3.96 0.00 1.99 1.96 0.00 3.17 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 19 L 8.29 3.94 0.00 1.77 1.79 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.31 4.00 0.00 2.24 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 2.35 2.64 0.00 21 E 8.08 3.98 0.00 2.14 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 2.34 2.47 0.00 22 S 8.30 4.11 0.00 3.97 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 23 L 8.30 4.10 0.00 1.94 2.00 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.19 4.05 0.00 1.99 2.02 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 25 Q 8.07 4.09 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 26 E 7.57 4.67 0.00 2.49 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 2.35 2.55 0.00 27 G 8.26 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.39 4.87 0.00 3.23 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 29 G 8.48 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 0.00 0.00 0.00 0.00 30 V 8.24 4.25 2.14 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 0.91 0.00 0.00 0.98 0.00 0.00 31 L 8.95 4.43 0.00 1.81 1.83 1.00 0.87 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 32 W 8.07 5.09 0.00 3.34 3.08 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 33 Q 7.73 4.78 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.45 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 34 F 8.18 4.60 0.00 3.01 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 0.00 0.00 0.00 35 S 8.39 4.47 0.00 3.80 3.73 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 36 V 7.45 3.22 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 0.89 0.00 0.00 0.45 0.00 0.00 37 T 7.83 4.14 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 1.16 0.00 0.00 38 E 8.23 3.93 0.00 2.09 1.97 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 2.33 2.52 0.00 39 K 8.14 4.00 0.00 2.27 2.24 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.68 7.81 40 L 8.21 4.08 0.00 1.88 1.78 0.64 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.58 4.04 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 42 E 8.44 4.00 0.00 2.30 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 2.36 2.38 0.00 43 K 7.71 4.36 0.00 1.94 1.86 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.63 7.81 44 G 7.96 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 45 L 7.85 4.36 0.00 1.78 1.65 0.94 1.25 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 46 D 8.33 4.64 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.81 0.00 2.92 2.93 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 48 S 8.13 4.47 0.00 3.84 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 49 T 6.09 4.05 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 1.27 0.00 0.00 50 P 0.00 4.38 0.00 2.04 1.94 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 51 M 8.84 5.25 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 52 V 9.36 4.62 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 0.87 0.00 0.00 0.84 0.00 0.00 53 I 8.11 4.87 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.35 1.02 0.00 0.00 54 L 9.00 5.13 0.00 1.59 1.55 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.27 5.00 0.00 2.13 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 2.98 0.00 56 V 8.17 5.18 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 1.09 0.00 0.00 0.93 0.00 0.00 *58 N 8.42 4.31 0.00 1.44 2.30 0.00 0.00 7.65 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 P 0.00 4.25 0.00 2.16 2.10 0.00 3.57 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 2.10 2.20 0.00 60 Q 8.07 3.97 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 61 E 8.06 3.98 0.00 2.16 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 0.00 2.34 2.48 0.00 62 A 8.21 3.99 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 63 A 8.23 3.96 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 64 R 7.92 3.83 0.00 2.09 2.13 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 65 V 7.82 3.78 2.14 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 0.79 0.00 0.00 1.10 0.00 0.00 66 L 7.90 4.02 0.00 1.74 1.76 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.18 4.53 0.00 2.82 2.88 0.00 0.00 7.00 7.25 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 68 E 7.50 4.34 0.00 2.19 2.12 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 2.32 2.47 0.00 69 N 8.24 4.69 0.00 2.71 2.63 0.00 0.00 6.89 7.40 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 70 L 8.84 4.01 0.00 1.80 1.67 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.10 3.87 0.00 1.70 1.20 0.74 0.45 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 72 V 8.02 4.03 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 1.11 0.00 0.00 1.11 0.00 0.00 73 G 8.40 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 0.00 0.00 0.00 74 Y 8.10 4.19 0.00 2.24 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 75 F 8.12 5.16 0.00 3.19 2.99 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 76 L 7.65 5.03 0.00 1.70 1.63 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.12 0.00 2.16 1.99 0.00 4.00 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 *79 K 8.79 4.44 0.00 1.90 1.84 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.73 7.81 80 L 8.85 5.13 0.00 1.61 1.50 0.88 0.51 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 81 V 9.08 4.86 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 0.77 0.00 0.00 0.94 0.00 0.00 82 V 8.89 5.04 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 0.96 0.00 0.00 0.93 0.00 0.00 83 Y 8.67 5.24 0.00 3.26 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 84 Q 8.78 4.95 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 85 E 9.04 4.61 0.00 1.90 1.69 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 2.23 2.37 0.00 86 N 9.87 4.18 0.00 2.80 2.80 0.00 0.00 7.04 7.65 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 87 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 88 T 8.25 4.50 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 1.12 0.00 0.00 89 T 8.10 4.60 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 1.11 0.00 0.00 90 K 8.85 4.95 0.00 0.79 1.24 0.00 1.20 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.03 7.81 91 I 8.53 5.06 1.82 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 1.12 0.65 0.91 0.00 0.00 92 G 9.65 4.78 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 93 M 8.61 5.35 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 94 P 0.00 4.87 0.00 2.25 2.34 0.00 4.03 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 95 K 9.27 4.15 0.00 1.88 1.96 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.46 1.51 7.81 96 P 0.00 4.23 0.00 2.29 2.11 0.00 3.75 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 97 T 8.47 3.83 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 1.22 0.00 0.00 98 M 7.74 4.08 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 99 L 7.80 3.76 0.00 1.36 0.32 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.76 3.79 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 0.75 0.00 0.00 0.96 0.00 0.00 101 G 7.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 7.51 4.32 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.97 0.00 103 M 8.15 4.20 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.67 0.00 104 N 8.02 4.05 0.00 2.84 2.84 0.00 0.00 6.84 8.33 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 0.00 105 D 7.62 4.72 0.00 2.70 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 0.00 106 P 0.00 4.23 0.00 2.19 2.09 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 107 A 8.02 3.99 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 0.00 108 L 8.15 3.95 0.00 2.02 1.85 1.01 0.71 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 0.00 109 K 8.23 3.91 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 110 E 8.20 3.98 0.00 2.26 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 2.33 2.57 0.00 111 I 7.53 3.74 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 0.94 0.00 0.00 112 A 8.31 4.05 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 0.00 113 A 8.13 3.94 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 0.00 114 D 7.83 4.27 0.00 2.68 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 0.00 115 I 7.91 3.86 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 1.04 0.00 0.00 116 E 8.54 3.87 0.00 2.08 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 2.19 2.29 0.00 117 K 7.99 3.82 0.00 1.99 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.64 7.81 118 R 7.75 3.97 0.00 2.14 2.18 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 119 L 8.04 3.74 0.00 1.70 1.57 0.78 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.29 4.08 0.93 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 0.00 121 A 7.89 3.94 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 0.00 122 C 7.66 4.48 0.00 3.14 3.01 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 0.00 123 L 8.02 4.15 0.00 2.07 1.80 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.57 4.46 0.00 2.85 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 0.00 125 R 8.02 4.23 0.00 1.96 1.99 0.00 3.22 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 126 C 7.80 4.50 0.00 3.07 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 0.00 127 R 7.72 4.09 0.00 1.93 1.82 0.00 3.17 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.