NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8752 8.3129 108.0276 46.0834 0.0000 177.1577 *2 E 4.5682 9.1849 117.9795 56.2499 31.2063 174.6374 3 C 5.2119 8.5916 121.1251 57.9115 34.0368 172.9346 4 R 5.0984 9.0778 120.6541 53.7023 33.0485 172.5760 5 P 4.3657 0.0000 0.0000 62.4022 32.1142 176.1588 6 L 4.3920 7.6417 122.2368 55.3285 42.5379 176.0111 7 C 4.9395 9.4700 116.3456 55.9629 32.8824 175.0023 8 I 3.7015 8.2130 112.0185 63.9468 37.0368 177.2957 9 D 4.5548 7.9968 118.3641 55.6387 41.0284 176.6118 10 D 4.7338 8.1227 119.7710 53.9613 40.9644 177.4285 11 L 3.8843 7.4686 123.2953 58.7674 41.9129 179.1687 12 E 3.9903 8.0973 117.5461 59.0771 29.3786 178.7909 13 L 3.8269 7.8844 119.9806 58.2747 42.0715 179.1352 14 V 3.5997 7.8791 117.9605 66.2630 31.5096 177.7270 15 C 4.2785 8.1129 116.1907 62.9062 27.8890 176.3802 16 R 3.8579 8.2094 119.7731 59.4488 29.4212 178.7760 17 H 3.7881 8.0453 115.0170 58.6932 28.8047 177.4221 18 R 3.7642 7.7649 119.1582 59.3468 30.1035 177.7865 19 E 4.1347 7.9526 118.6012 59.1289 29.5348 179.5139 20 A 4.0154 7.6166 117.8508 52.7767 18.1174 179.0274 *22 F 4.8294 8.0406 121.6348 59.1852 41.3659 177.7122 23 R 3.9498 8.5565 121.0217 59.4411 29.9943 178.5063 24 E 4.0035 8.3670 116.0702 59.0389 29.4856 177.7231 25 A 4.1883 7.8959 119.1664 52.7266 18.8542 177.7938 26 G 4.0230 8.1753 104.5138 45.0802 0.0000 174.3965 27 R 4.1091 7.7121 118.1543 55.4106 30.8499 177.0137 28 D 4.4395 8.5013 121.0003 54.2817 42.3973 177.7684 29 A 4.0078 8.6149 125.8403 55.2092 18.5150 179.6895 30 L 3.9205 7.8146 118.4286 58.5137 42.0203 179.1665 31 T 3.8664 7.7398 114.5274 66.5905 68.5232 176.2535 32 L 4.0539 7.7809 119.8072 57.4804 41.6416 179.0837 33 A 4.1756 7.8824 120.1500 54.7264 18.3903 180.1479 34 A 4.1101 7.7183 117.8547 52.4350 18.8002 178.8811 *36 Q 4.3776 8.0867 121.9758 58.0413 31.2482 176.9880 37 D 4.3775 8.0382 116.7869 56.9090 41.0274 176.6550 38 P 4.2830 0.0000 0.0000 65.7493 31.2533 178.3359 39 F 4.1193 8.2246 118.6616 61.2443 39.4342 176.8613 40 R 3.7603 8.1535 118.3380 59.6920 29.6661 178.2755 41 D 4.3661 8.0915 117.4938 56.8814 40.8029 178.3262 42 W 4.1394 8.2268 129.1154 60.3108 30.6490 177.9440 43 L 3.3880 7.8625 120.5864 57.5165 41.4707 178.1174 44 L 3.7935 7.6733 120.6793 58.0485 41.9479 177.5075 45 P 4.2440 0.0000 0.0000 65.4487 31.3109 178.2339 46 R 4.1145 6.9198 117.6396 58.4691 29.5052 178.6696 47 L 4.1767 8.0822 119.2301 57.6718 41.3750 179.2403 48 A 4.0147 7.5814 119.3805 54.7436 18.4742 178.5248 49 D 4.6556 7.8656 114.0798 52.9077 40.1184 177.6222 50 G 4.0029 7.7648 108.0455 45.7339 0.0000 175.0001 51 S 4.1842 8.6156 114.5932 60.0288 63.3912 173.5433 52 Y 4.6237 8.2049 123.2928 55.6743 39.6710 174.0670 53 F 5.1450 9.2785 128.5661 55.4811 43.2312 173.5344 54 G 3.4148 5.3800 105.5302 45.1809 0.0000 170.9828 55 W 5.3509 7.4994 117.4387 55.3233 33.8632 174.9086 56 V 5.2226 8.7089 122.8700 60.7602 34.8714 173.7660 *58 E 4.5363 8.6205 116.3552 56.5076 31.5239 174.8010 59 E 4.4804 9.0124 124.2367 55.1438 30.7097 176.2501 60 G 4.0330 9.6889 117.7366 46.6538 0.0000 173.8113 61 G 3.8501 8.4892 105.4220 44.1870 0.0000 173.4784 62 A 4.5580 7.8502 124.0917 49.4658 20.0471 174.9021 63 P 4.5679 0.0000 0.0000 63.0876 31.9558 176.1911 64 L 4.7682 8.3790 121.3704 55.0498 44.0867 175.7110 65 A 4.8569 7.8874 118.4982 51.4625 22.7097 175.0818 66 G 4.2432 8.6874 105.2764 45.6241 0.0000 171.9871 67 I 5.0769 8.8244 119.7146 59.2087 42.0991 173.9140 68 G 4.4636 9.3158 114.3844 43.5652 0.0000 171.8390 69 L 5.7728 8.0803 121.3263 53.6271 44.9662 174.9083 *71 V 4.4195 8.2149 117.9989 62.9683 32.1377 174.3044 72 I 4.6424 8.5896 122.4635 59.1411 40.0764 175.1378 73 E 4.7290 8.8047 123.8891 56.7758 30.3091 176.1157 74 W 4.9916 8.9103 132.5818 55.1241 34.7897 171.9263 75 P 4.6098 0.0000 0.0000 62.1768 31.3858 174.1285 76 P 4.7570 0.0000 0.0000 63.0876 31.9502 175.0253 77 H 4.8323 8.4472 120.7395 53.8343 32.9890 172.3703 78 P 4.2091 0.0000 0.0000 65.4545 31.2000 177.8001 79 S 4.1466 7.9106 112.1029 59.8316 63.6816 174.3715 80 H 4.9296 7.9432 115.6849 54.1794 29.3363 172.8605 81 P 4.3542 0.0000 0.0000 65.8148 31.8349 178.0190 82 L 4.4656 7.8340 116.3151 54.6427 42.4645 176.0124 83 Q 4.7605 8.0259 119.1511 54.0996 31.5148 175.4971 84 D 5.7959 8.6631 122.4510 51.8834 39.6627 175.5347 85 K 5.2580 7.8624 115.5656 57.3893 35.6920 175.1733 86 R 4.6567 8.8794 116.7564 54.4134 33.3014 174.6611 87 G 3.1641 8.5334 108.2496 46.1435 0.0000 172.0070 88 Y 5.4431 8.5455 122.3277 55.7864 42.2917 173.6100 89 I 4.9069 7.7814 127.5826 59.4929 39.3914 174.8821 90 L 4.2258 8.4924 125.1434 54.5944 44.4328 174.8954 91 N 4.2125 8.6389 113.5223 54.0463 36.0068 174.3162 92 L 4.3647 7.8828 120.3392 55.4735 42.8545 175.3778 93 Y 4.7279 8.9206 127.2744 55.8100 42.4702 173.7288 94 V 4.4549 7.2292 125.3824 60.3919 34.3764 174.3362 95 D 4.3069 8.8571 127.2538 54.5062 41.3377 175.9240 96 P 4.1290 0.0000 0.0000 65.5731 31.5034 177.1658 97 S 4.5722 8.0161 111.6467 59.0222 62.8096 173.7774 98 H 4.8885 8.1889 117.8778 55.8399 29.5465 174.2056 99 R 4.3839 8.1697 116.2826 56.3827 30.4026 176.8080 100 E 4.6782 7.9665 120.1069 57.0237 30.1626 177.0858 101 R 4.4810 7.7247 113.3809 55.1976 31.7725 178.1948 102 G 3.9818 8.2619 105.3383 47.6858 0.0000 176.0023 103 I 3.7295 7.7852 122.3869 64.0623 36.8656 178.3751 104 G 3.5667 7.8971 104.6919 47.9311 0.0000 174.9683 105 Q 4.1094 7.9706 120.3115 58.6389 29.4232 177.6381 106 A 4.1426 8.1601 121.9414 54.9564 18.3927 180.7165 107 L 4.1432 8.0013 116.6839 55.1258 41.6085 179.2068 *109 N 4.6722 8.1710 118.1609 53.5329 40.8452 177.2345 110 R 3.5360 7.9603 116.8088 58.9104 29.9119 179.0060 111 A 4.0099 8.0843 120.5685 55.3103 18.4530 179.5309 112 E 4.1157 8.2082 116.4039 59.6163 29.5083 179.3562 113 A 4.0438 8.2553 120.9561 54.9649 18.3778 179.3026 114 E 3.9944 8.3542 117.9214 59.5725 29.7920 179.0346 115 F 4.5845 8.0682 117.6243 60.5906 38.9643 177.5146 116 A 4.0533 8.2604 120.3888 55.2645 18.0231 179.1638 117 E 3.9496 8.3151 116.7971 59.4229 29.7631 178.4627 118 R 4.3619 7.9305 115.1262 55.6505 30.4154 176.6928 119 G 3.9034 7.9712 106.8298 46.4836 0.0000 173.7787 120 I 4.1800 7.8510 120.6197 60.1383 37.7975 176.4876 121 A 4.1973 9.0744 129.3313 54.8024 18.7144 177.3959 122 F 4.9748 7.6608 115.9208 56.8987 42.9690 173.2893 123 A 4.9074 7.3541 125.0084 50.3289 22.5647 175.1917 124 V 4.8380 8.6869 111.7936 59.9355 36.4969 174.5031 125 L 4.6682 8.2756 120.6082 55.1463 43.4577 174.5953 126 H 4.7386 8.5617 116.6734 53.9428 30.1402 174.4913 127 A 4.4348 8.4651 127.8212 51.7149 19.7937 176.6008 128 T 4.4964 8.2941 112.4775 60.8858 70.4863 177.2122 129 E 4.2262 8.5945 117.1930 55.9845 29.2686 179.4825 *131 G 3.5338 8.1746 111.1060 46.0330 0.0000 175.6076 132 Q 3.9342 7.7434 120.4070 59.0217 28.8275 177.0973 133 P 4.1744 0.0000 0.0000 65.2223 31.1596 178.3174 134 L 3.8524 7.4077 117.8519 58.3517 42.3471 178.1856 135 Y 4.4444 7.1361 116.0128 61.0383 37.5435 178.3621 136 A 4.4821 8.0390 122.1239 54.5648 18.6238 181.2818 137 R 4.1599 7.9330 115.7278 56.1293 30.4366 177.8235 *139 G 3.8732 7.8774 104.8896 44.8808 0.0000 173.5300 140 W 4.3924 8.5090 120.2346 55.7321 30.0148 175.7482 141 S 4.9099 8.3366 117.2599 55.7448 65.4657 172.4920 142 P 4.3745 0.0000 0.0000 63.1419 31.6021 176.2782 143 T 4.5565 8.2481 112.2599 60.6860 70.9829 174.1863 144 T 4.4184 8.2306 109.0750 61.5120 68.7963 174.2024 145 E 4.0982 7.7391 123.5158 56.4654 30.2783 175.7202 *147 S 4.3223 8.0723 114.7802 58.2365 63.9604 173.1292 148 K 4.5101 8.0558 120.6725 54.4983 34.9013 173.8674 149 P 4.3922 0.0000 0.0000 62.6915 31.6168 174.3215 150 I 4.0669 7.7628 120.7982 61.8035 39.1200 176.0729 151 A 4.2431 8.1746 130.9920 53.5512 19.9828 178.1103 152 G 3.7398 7.9242 109.0636 45.6468 0.0000 173.6702 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 G 8.31 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 *2 E 9.18 4.57 0.00 1.79 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 2.13 1.89 0.00 3 C 8.59 5.21 0.00 2.90 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 4 R 9.08 5.10 0.00 1.93 2.02 0.00 2.86 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 5 P 0.00 4.37 0.00 2.03 1.89 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 6 L 7.64 4.39 0.00 1.13 1.53 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 C 9.47 4.94 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 8 I 8.21 3.70 1.85 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 1.41 0.78 0.90 0.00 0.00 9 D 8.00 4.55 0.00 2.69 2.75 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 10 D 8.12 4.73 0.00 2.82 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 11 L 7.47 3.88 0.00 1.71 1.67 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.10 3.99 0.00 2.14 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 2.40 1.93 0.00 13 L 7.88 3.83 0.00 1.71 1.84 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.88 3.60 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 1.19 0.00 0.00 1.03 0.00 0.00 15 C 8.11 4.28 0.00 3.26 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 16 R 8.21 3.86 0.00 1.95 1.90 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 17 H 8.05 3.79 0.00 3.25 3.34 0.00 5.69 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 18 R 7.76 3.76 0.00 1.61 1.81 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 19 E 7.95 4.13 0.00 2.06 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 2.27 2.32 0.00 20 A 7.62 4.02 0.56 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 0.00 0.00 *22 F 8.04 4.83 0.00 3.08 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 23 R 8.56 3.95 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 24 E 8.37 4.00 0.00 2.17 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 2.41 2.39 0.00 25 A 7.90 4.19 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 26 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 27 R 7.71 4.11 0.00 1.91 1.78 0.00 3.34 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.51 0.00 28 D 8.50 4.44 0.00 2.65 2.57 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 29 A 8.61 4.01 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 30 L 7.81 3.92 0.00 1.75 1.65 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.74 3.87 4.30 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 1.11 0.00 0.00 32 L 7.78 4.05 0.00 1.75 1.72 1.01 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 33 A 7.88 4.18 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 34 A 7.72 4.11 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 *36 Q 8.09 4.38 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 37 D 8.04 4.38 0.00 2.75 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 38 P 0.00 4.28 0.00 2.20 2.16 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 39 F 8.22 4.12 0.00 3.16 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 40 R 8.15 3.76 0.00 2.09 2.09 0.00 3.18 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 1.61 1.67 0.00 41 D 8.09 4.37 0.00 2.85 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 42 W 8.23 4.14 0.00 3.40 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 43 L 7.86 3.39 0.00 1.17 1.38 0.17 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.67 3.79 0.00 1.82 1.57 0.87 0.75 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 45 P 0.00 4.24 0.00 2.16 2.19 0.00 3.54 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 1.90 1.91 0.00 46 R 6.92 4.11 0.00 1.47 1.75 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.00 47 L 8.08 4.18 0.00 1.75 1.69 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.58 4.01 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 49 D 7.87 4.66 0.00 2.81 2.74 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 50 G 7.76 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 51 S 8.62 4.18 0.00 4.01 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 52 Y 8.20 4.62 0.00 2.95 2.78 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 53 F 9.28 5.15 0.00 2.95 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 5.38 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 0.00 0.00 0.00 55 W 7.50 5.35 0.00 3.14 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 56 V 8.71 5.22 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 1.38 0.00 0.00 0.95 0.00 0.00 *58 E 8.62 4.54 0.00 2.00 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 2.32 2.35 0.00 59 E 9.01 4.48 0.00 1.91 1.76 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 2.20 2.21 0.00 60 G 9.69 4.03 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 0.00 61 G 8.49 3.85 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 0.00 62 A 7.85 4.56 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 63 P 0.00 4.57 0.00 2.09 2.06 0.00 3.65 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 2.04 2.30 0.00 64 L 8.38 4.77 0.00 1.52 1.58 0.68 0.77 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 65 A 7.89 4.86 1.19 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 0.00 0.00 66 G 8.69 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 0.00 0.00 0.00 0.00 67 I 8.82 5.08 1.88 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 1.10 1.30 1.01 0.00 0.00 68 G 9.32 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 0.00 0.00 0.00 0.00 69 L 8.08 5.77 0.00 1.64 1.58 1.02 0.62 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 *71 V 8.21 4.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.12 0.00 0.00 72 I 8.59 4.64 2.05 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 1.46 0.88 1.06 0.00 0.00 73 E 8.80 4.73 0.00 1.96 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 2.38 2.38 0.00 74 W 8.91 4.99 0.00 3.54 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 75 P 0.00 4.61 0.00 2.07 1.91 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 76 P 0.00 4.76 0.00 1.97 2.27 0.00 3.72 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 77 H 8.45 4.83 0.00 3.29 2.52 0.00 5.68 0.00 0.00 0.00 0.00 6.80 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 4.21 0.00 1.91 2.00 0.00 2.85 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 1.84 1.98 0.00 79 S 7.91 4.15 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 7.94 4.93 0.00 3.30 3.39 0.00 5.46 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.35 0.00 2.18 2.19 0.00 3.73 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 1.98 1.96 0.00 82 L 7.83 4.47 0.00 1.67 1.76 0.93 0.85 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 83 Q 8.03 4.76 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 84 D 8.66 5.80 0.00 2.84 2.91 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 85 K 7.86 5.26 0.00 1.87 1.84 0.00 1.57 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.43 7.81 86 R 8.88 4.66 0.00 1.82 1.81 0.00 2.21 0.00 0.00 2.76 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 0.00 87 G 8.53 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 0.00 0.00 0.00 88 Y 8.55 5.44 0.00 3.00 2.91 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 89 I 7.78 4.91 1.49 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 1.35 1.06 0.69 0.00 0.00 90 L 8.49 4.23 0.00 1.66 1.38 1.37 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.64 4.21 0.00 3.05 3.02 0.00 0.00 6.88 7.85 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 92 L 7.88 4.36 0.00 1.57 1.56 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.92 4.73 0.00 2.97 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 94 V 7.23 4.45 1.82 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 0.74 0.00 0.00 0.80 0.00 0.00 95 D 8.86 4.31 0.00 2.92 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 96 P 0.00 4.13 0.00 2.08 2.10 0.00 3.78 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 2.10 2.16 0.00 97 S 8.02 4.57 0.00 4.07 3.80 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 98 H 8.19 4.89 0.00 3.00 3.22 0.00 5.84 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.17 4.38 0.00 1.72 1.87 0.00 3.05 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.71 0.00 100 E 7.97 4.68 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 101 R 7.72 4.48 0.00 1.77 1.74 0.00 3.34 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 102 G 8.26 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.79 3.73 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.67 0.86 0.00 0.00 104 G 7.90 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 0.00 105 Q 7.97 4.11 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 106 A 8.16 4.14 1.33 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 0.00 0.00 107 L 8.00 4.14 0.00 1.79 1.69 0.92 0.83 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 *109 N 8.17 4.67 0.00 2.90 2.84 0.00 0.00 7.02 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 0.00 110 R 7.96 3.54 0.00 1.49 0.66 0.00 2.67 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 111 A 8.08 4.01 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 0.00 112 E 8.21 4.12 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 113 A 8.26 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 0.00 114 E 8.35 3.99 0.00 2.61 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 115 F 8.07 4.58 0.00 3.35 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 0.00 116 A 8.26 4.05 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 0.00 117 E 8.32 3.95 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 118 R 7.93 4.36 0.00 2.12 2.03 0.00 3.47 0.00 0.00 3.30 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 119 G 7.97 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 0.00 120 I 7.85 4.18 1.95 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 1.48 0.93 0.70 0.00 0.00 121 A 9.07 4.20 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 0.00 122 F 7.66 4.97 0.00 3.12 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 0.00 123 A 7.35 4.91 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 0.00 124 V 8.69 4.84 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 0.51 0.00 0.00 0.96 0.00 0.00 125 L 8.28 4.67 0.00 1.11 1.01 0.33 -1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 126 H 8.56 4.74 0.00 3.23 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.47 4.43 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 0.00 128 T 8.29 4.50 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 1.21 0.00 0.00 129 E 8.59 4.23 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.89 0.00 *131 G 8.17 3.53 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 0.00 0.00 0.00 132 Q 7.74 3.93 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 133 P 0.00 4.17 0.00 2.10 2.02 0.00 3.46 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 134 L 7.41 3.85 0.00 1.41 1.40 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.14 4.44 0.00 3.00 2.61 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 0.00 136 A 8.04 4.48 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.93 4.16 0.00 2.03 2.00 0.00 3.19 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 *139 G 7.88 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 0.00 140 W 8.51 4.39 0.00 3.52 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 0.00 141 S 8.34 4.91 0.00 3.87 3.79 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 0.00 142 P 0.00 4.37 0.00 2.09 2.05 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 143 T 8.25 4.56 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 144 T 8.23 4.42 4.29 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 1.26 0.00 0.00 145 E 7.74 4.10 0.00 2.07 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 2.41 2.35 0.00 *147 S 8.07 4.32 0.00 4.06 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.06 4.51 0.00 1.70 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.46 7.81 149 P 0.00 4.39 0.00 2.07 1.95 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 150 I 7.76 4.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.91 0.00 0.00 151 A 8.17 4.24 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 0.00 152 G 7.92 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 * Residues marked with a * may have inaccurate shift predictions.