NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4071 8.3033 120.2383 56.1678 32.5268 177.5186 4 K 3.8491 8.1463 118.1907 59.1615 32.6221 174.1911 5 V 3.7099 8.6768 119.3560 65.9993 31.9697 177.3883 6 E 4.0863 8.2715 117.9347 59.5814 29.3875 179.0587 7 E 4.0393 8.4731 118.6281 59.0026 29.0461 179.2055 8 W 4.0375 8.4031 128.5124 60.4421 30.8028 178.0938 9 I 3.5666 8.2190 119.7681 64.4228 36.6732 178.3913 10 K 3.8785 8.1931 120.1411 59.3666 31.7940 178.5543 11 A 4.0441 7.9261 119.8259 53.8527 18.2727 178.6271 12 R 4.2742 6.7048 114.0112 54.7098 30.8740 176.0669 13 G 3.8165 7.5019 106.2323 46.3924 0.0000 174.4664 14 L 4.0163 7.3533 118.9064 54.2341 42.1698 177.2116 15 T 4.4773 7.8457 108.7683 61.0464 69.3306 174.7170 16 W 4.6997 7.8464 122.0561 57.9006 29.8411 175.4406 17 R 4.7636 8.5595 120.9545 54.7918 32.1047 175.1453 18 L 5.0337 8.5626 122.6659 53.4551 43.5221 175.7302 19 L 4.6818 9.1211 124.4750 53.2376 43.4150 176.7242 20 I 4.4191 8.2973 124.8387 61.0403 37.9247 176.0092 *22 Q 4.3505 8.5662 121.5925 55.8080 30.4003 175.4448 23 K 4.5661 7.5398 113.7719 54.5583 35.4002 173.4685 24 P 4.3840 0.0000 0.0000 63.3165 31.4948 176.4998 25 T 4.4950 8.5028 119.2955 62.0698 70.0707 173.5538 26 R 4.6470 8.5536 119.9308 55.0302 30.5881 175.7032 27 T 4.6314 7.4927 111.8578 59.6948 71.5156 174.1940 28 V 3.5289 8.4321 126.3794 66.2223 31.5537 178.0991 29 A 3.9641 7.9933 119.7053 55.3265 18.2269 179.2433 30 E 3.8571 8.1470 116.1612 59.4271 29.6043 179.2493 31 A 3.8982 7.9233 120.4219 55.2779 18.5259 179.5746 32 A 3.8570 8.2645 119.2465 55.0042 18.1260 179.8111 33 A 3.8644 7.7421 118.5680 55.2887 18.6104 179.4590 34 L 4.0358 7.6289 115.9561 58.1394 41.8662 179.7325 35 L 3.9934 7.8448 116.9090 54.9606 41.8981 177.1173 36 G 3.8195 7.9162 106.5125 46.9796 0.0000 173.1981 37 V 4.4899 7.3381 109.9263 58.5255 35.8304 175.8062 38 S 4.3235 8.7783 115.4063 58.1044 62.8003 175.0308 39 E 3.9832 8.6918 124.7580 59.0528 29.3741 178.9963 40 S 4.5302 7.7844 111.4063 59.1349 63.4915 174.5352 41 E 4.3855 8.3659 120.7121 56.5634 30.2374 175.3661 42 I 4.9303 7.2707 120.3008 60.0789 39.4309 175.1628 43 V 4.9431 8.6187 117.5035 59.5888 35.3173 175.1255 44 K 4.5987 8.9609 122.1900 55.0374 34.9339 175.5519 45 T 4.7659 8.5093 121.2236 62.1914 69.7674 173.7151 46 L 4.6587 8.8480 127.8669 53.2185 44.0945 175.9804 47 I 4.7417 8.2470 123.9288 60.3664 38.9748 174.7908 48 V 4.8840 8.9519 126.5677 61.0135 34.9558 173.9843 49 L 5.4485 9.0254 127.1323 53.0748 44.7043 176.1471 50 D 5.2089 9.2178 124.0248 51.8048 42.1139 176.3893 51 N 4.7725 8.6000 113.8187 53.1141 37.1356 175.2222 52 A 4.6191 9.0667 120.4286 52.1848 19.4804 178.0206 53 G 3.9796 8.6227 107.6009 46.2709 0.0000 174.8191 54 G 3.8109 8.0309 107.4491 45.5018 0.0000 172.8769 55 V 5.0277 7.9821 122.5772 61.0392 34.8912 173.7479 56 Y 5.2079 9.3234 123.9076 56.1279 42.4709 174.1363 57 A 5.0191 9.1160 124.6727 50.3314 21.7127 175.4955 58 V 4.6315 8.9835 123.7711 61.4551 34.0013 174.7491 59 V 4.7427 8.8407 130.0123 61.9565 32.5882 174.8092 60 I 4.9854 8.6089 120.8663 58.0582 41.7363 172.9952 61 P 4.5597 0.0000 0.0000 62.3766 31.7557 178.3151 62 G 3.6480 9.0744 112.8596 48.2397 0.0000 174.1375 63 D 4.6722 8.0518 117.6932 52.9451 39.8462 175.4892 64 K 4.7464 7.7894 119.5892 54.6707 35.3773 174.5789 65 R 4.7893 7.8938 114.1671 54.2526 33.3958 174.2157 66 L 4.3386 8.4355 122.0869 55.2616 42.8357 175.9742 67 N 4.7229 9.0028 126.3511 52.6325 38.2973 174.6026 68 I 3.8017 8.5183 127.9583 64.4682 37.8023 177.3469 69 N 4.4006 8.3860 118.1940 56.9550 38.9506 177.5703 70 S 4.3288 8.5927 112.2299 58.9103 62.4029 176.0993 *72 K 4.2765 8.2236 123.2760 56.6009 33.5590 177.6601 73 E 3.9810 8.1829 117.0097 59.1594 29.3158 178.8445 74 L 4.0471 7.8319 119.3401 58.2139 41.0960 178.7301 75 A 4.1569 7.8533 120.1947 52.8722 18.0991 178.9265 76 G 3.8106 8.9638 104.3252 45.8007 0.0000 173.1815 77 K 4.6379 7.2868 116.7013 53.7856 36.6419 174.1007 78 P 4.4491 0.0000 0.0000 63.3367 32.2375 175.9569 79 V 5.1651 8.1881 115.5732 59.9834 35.9750 174.5486 80 R 4.7170 8.6416 116.9103 54.8628 33.0392 174.3805 81 L 4.5234 8.4314 120.1097 54.5696 42.3970 176.9700 82 A 4.3693 8.7123 125.4237 51.9534 19.2573 177.9620 83 R 4.1855 10.1010 121.4162 55.1726 31.6432 177.7168 84 A 4.0227 8.8051 121.1850 55.7932 18.1199 179.7804 85 N 4.3311 8.1345 114.7205 56.2303 37.3029 177.1584 86 E 4.1567 8.1084 120.4443 58.9287 29.6407 179.1899 87 V 3.5803 7.9680 118.4554 65.9844 31.6480 178.2603 88 V 3.8739 7.5743 118.9137 65.5921 31.1890 177.7549 89 E 3.9441 7.9944 116.8357 59.5574 29.4197 179.0801 90 L 4.2276 8.1489 117.9824 56.7832 41.8865 178.4567 91 T 4.5248 8.1266 108.1735 60.8859 70.0568 175.8281 92 G 3.7576 8.0897 108.2627 45.4218 0.0000 172.3897 93 Y 4.8282 7.6999 116.5480 54.8310 41.6503 173.6256 94 P 4.4225 0.0000 0.0000 62.0692 32.3679 176.0349 95 V 3.8167 8.1558 119.7079 64.5002 31.7997 176.3921 96 G 3.9879 9.1818 114.0354 45.9985 0.0000 173.6719 97 G 4.1346 8.0793 106.3893 44.8655 0.0000 172.8656 98 V 3.6166 7.8387 120.1716 60.9346 32.0180 174.1323 99 P 4.4700 0.0000 0.0000 61.2636 32.2695 174.3635 100 P 4.2241 0.0000 0.0000 64.0176 31.6792 175.7328 101 V 3.7435 6.3001 110.5055 59.8508 35.4684 173.7498 102 A 3.6695 6.6971 119.8007 53.5064 15.6093 177.4197 103 L 4.7564 7.5182 118.1401 53.7243 43.7595 175.0875 104 P 4.5036 0.0000 0.0000 61.6708 31.8967 174.5402 105 P 4.4317 0.0000 0.0000 63.6034 31.7099 175.5984 106 N 4.2324 8.7010 113.4350 54.6444 35.5288 174.4981 107 I 4.5863 7.6353 117.7403 59.4956 40.5231 175.3588 108 V 3.9600 8.4243 128.4815 61.8094 32.2859 174.7787 109 L 4.7315 8.5453 130.7331 54.8829 43.5919 175.4159 110 V 4.8391 9.0287 125.6357 61.1027 35.1032 174.0027 111 V 4.6891 8.5613 127.4380 60.7329 34.3400 174.0894 112 D 4.7829 8.8175 128.2715 54.2160 41.7877 176.9343 113 R 3.9051 9.0588 126.3900 59.7274 30.0974 178.5088 114 I 3.7249 7.7913 117.6530 63.8486 37.9366 177.5937 115 L 4.0358 7.9735 119.7831 57.2438 41.1647 178.8744 116 L 4.2040 7.8431 118.0738 56.4898 41.6260 178.3209 117 S 4.4180 7.8193 112.9387 57.9667 63.7877 173.8360 118 R 4.5393 7.0820 122.3203 54.2394 31.8933 176.3494 119 K 4.0880 8.5651 123.7683 58.8914 32.6086 176.4586 120 K 4.6841 7.3206 114.9282 55.5145 35.6667 175.6132 121 V 4.3040 7.8309 114.5281 59.9802 36.9946 173.4940 122 Y 4.9691 8.6854 118.3953 56.5691 41.2391 175.6742 123 G 4.4777 9.1766 111.7807 44.1950 0.0000 171.5861 124 G 3.9638 8.8410 106.8759 46.4752 0.0000 174.1812 125 G 4.0831 8.3114 110.9785 44.3061 0.0000 174.5387 126 G 4.0435 9.7189 108.4555 44.9416 0.0000 173.5824 127 R 4.7466 7.4061 114.4662 54.5748 32.1997 175.7129 128 E 4.0129 8.9524 117.5203 58.8999 29.5844 177.8377 129 N 4.6738 8.0811 114.9081 52.0532 37.7781 173.9784 130 A 5.0045 7.9247 119.6223 51.1498 23.0700 175.9227 131 L 4.9665 8.9248 121.2639 52.7917 45.4218 175.2838 132 L 4.8941 8.9048 125.3832 54.0056 43.9299 174.6614 133 E 4.7217 9.3013 128.8001 54.8304 31.0709 174.7231 134 F 4.2815 8.1387 120.9581 55.4344 42.1931 172.8454 135 S 4.7197 7.7734 113.8201 55.6050 63.4016 172.8575 136 P 4.4040 0.0000 0.0000 65.8462 31.0619 178.7755 137 R 4.0145 7.9951 116.3369 59.4548 29.9615 178.8325 138 E 4.1780 8.4333 118.3632 59.2061 29.5188 179.1644 139 L 4.5341 8.5232 120.8068 58.4447 42.2482 179.3021 140 V 3.7171 8.1104 118.2488 65.9413 31.2514 177.6051 141 E 4.0378 8.5496 118.4656 59.2686 29.5799 178.3915 142 A 4.1796 8.5100 120.3744 54.2449 18.5673 178.6419 143 T 4.5303 7.9287 106.2379 60.8844 70.1588 175.6860 144 G 3.8621 8.6057 108.7590 45.8518 0.0000 173.4176 145 A 4.3490 7.6540 120.4561 51.6669 19.1697 178.9196 146 V 3.8887 8.0962 120.0532 61.6792 32.9895 175.2069 147 V 5.1066 8.5198 122.0179 60.5559 33.9245 174.1271 148 A 4.5863 8.2950 126.9911 51.1942 23.2171 174.8158 149 D 4.9819 8.6124 119.3391 53.4131 40.9939 176.7595 150 V 4.5368 9.1374 116.0371 60.6117 33.6458 175.4190 151 S 5.3376 8.1489 114.9852 56.6763 66.0510 173.8477 152 E 4.3047 8.8518 118.1217 56.8856 29.0330 174.8853 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 3 E 8.30 4.41 0.00 2.14 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 0.00 2.32 2.44 0.00 4 K 8.15 3.85 0.00 2.05 2.01 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.60 7.81 5 V 8.68 3.71 2.24 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 1.14 0.00 0.00 0.87 0.00 0.00 6 E 8.27 4.09 0.00 2.32 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 2.46 2.54 0.00 7 E 8.47 4.04 0.00 2.27 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 2.36 2.49 0.00 8 W 8.40 4.04 0.00 3.57 3.36 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 9 I 8.22 3.57 2.15 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.02 0.91 0.00 0.00 10 K 8.19 3.88 0.00 1.90 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 11 A 7.93 4.04 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 12 R 6.70 4.27 0.00 1.11 1.51 0.00 2.21 0.00 0.00 2.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.00 13 G 7.50 3.82 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 0.00 0.00 0.00 14 L 7.35 4.02 0.00 1.11 0.51 -0.02 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.85 4.48 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 1.21 0.00 0.00 16 W 7.85 4.70 0.00 3.41 3.32 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 17 R 8.56 4.76 0.00 1.92 1.91 0.00 3.17 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 18 L 8.56 5.03 0.00 1.60 1.66 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.12 4.68 0.00 1.60 1.63 1.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.30 4.42 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.93 0.00 0.00 *22 Q 8.57 4.35 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 23 K 7.54 4.57 0.00 1.81 1.74 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.45 7.81 24 P 0.00 4.38 0.00 2.06 2.18 0.00 3.62 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 2.03 2.12 0.00 25 T 8.50 4.49 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 1.19 0.00 0.00 26 R 8.55 4.65 0.00 1.91 1.95 0.00 3.01 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 27 T 7.49 4.63 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 1.31 0.00 0.00 28 V 8.43 3.53 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 1.13 0.00 0.00 0.93 0.00 0.00 29 A 7.99 3.96 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 E 8.15 3.86 0.00 2.14 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 2.39 2.37 0.00 31 A 7.92 3.90 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 32 A 8.26 3.86 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 33 A 7.74 3.86 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 34 L 7.63 4.04 0.00 1.69 1.68 0.89 0.88 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 35 L 7.84 3.99 0.00 1.42 1.29 0.23 0.20 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 36 G 7.92 3.82 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 0.00 0.00 0.00 37 V 7.34 4.49 2.38 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 0.72 0.00 0.00 0.84 0.00 0.00 38 S 8.78 4.32 0.00 3.85 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 39 E 8.69 3.98 0.00 2.06 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 2.38 2.29 0.00 40 S 7.78 4.53 0.00 3.99 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 0.00 41 E 8.37 4.39 0.00 2.24 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 0.00 2.24 2.26 0.00 42 I 7.27 4.93 1.99 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 1.23 0.98 0.96 0.00 0.00 43 V 8.62 4.94 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 0.62 0.00 0.00 1.05 0.00 0.00 44 K 8.96 4.60 0.00 1.66 1.68 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 T 8.51 4.77 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 1.19 0.00 0.00 46 L 8.85 4.66 0.00 1.55 1.57 0.92 0.67 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 47 I 8.25 4.74 1.90 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 1.25 1.06 1.00 0.00 0.00 48 V 8.95 4.88 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 1.06 0.00 0.00 0.93 0.00 0.00 49 L 9.03 5.45 0.00 1.63 1.57 0.97 0.90 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 50 D 9.22 5.21 0.00 2.97 3.03 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 51 N 8.60 4.77 0.00 2.90 2.97 0.00 0.00 6.71 7.28 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 52 A 9.07 4.62 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 53 G 8.62 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 54 G 8.03 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 0.00 0.00 0.00 55 V 7.98 5.03 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 1.09 0.00 0.00 0.96 0.00 0.00 56 Y 9.32 5.21 0.00 2.92 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 57 A 9.12 5.02 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 58 V 8.98 4.63 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 0.88 0.00 0.00 0.95 0.00 0.00 59 V 8.84 4.74 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 0.99 0.00 0.00 0.90 0.00 0.00 60 I 8.61 4.99 1.86 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 1.22 1.08 0.91 0.00 0.00 61 P 0.00 4.56 0.00 2.17 1.99 0.00 3.59 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 2.09 2.07 0.00 62 G 9.07 3.65 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 0.00 0.00 0.00 63 D 8.05 4.67 0.00 2.82 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 64 K 7.79 4.75 0.00 1.73 1.76 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.46 7.81 65 R 7.89 4.79 0.00 1.81 1.96 0.00 2.96 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 66 L 8.44 4.34 0.00 1.65 1.60 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.00 4.72 0.00 2.71 2.83 0.00 0.00 7.24 7.98 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 68 I 8.52 3.80 1.85 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 1.28 0.91 0.89 0.00 0.00 69 N 8.39 4.40 0.00 2.73 2.96 0.00 0.00 7.17 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 70 S 8.59 4.33 0.00 4.03 3.92 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 *72 K 8.22 4.28 0.00 1.87 1.99 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.61 7.81 73 E 8.18 3.98 0.00 2.09 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 2.33 2.55 0.00 74 L 7.83 4.05 0.00 1.66 1.58 0.92 0.90 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 75 A 7.85 4.16 1.13 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 0.00 0.00 76 G 8.96 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 0.00 0.00 0.00 77 K 7.29 4.64 0.00 1.85 1.85 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.65 7.81 78 P 0.00 4.45 0.00 2.08 1.97 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 79 V 8.19 5.17 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 0.71 0.00 0.00 0.89 0.00 0.00 80 R 8.64 4.72 0.00 1.85 1.97 0.00 2.78 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 81 L 8.43 4.52 0.00 1.56 1.65 0.92 0.80 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 82 A 8.71 4.37 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 83 R 10.10 4.19 0.00 2.02 1.87 0.00 3.16 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 84 A 8.81 4.02 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 85 N 8.13 4.33 0.00 2.93 3.10 0.00 0.00 6.23 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 86 E 8.11 4.16 0.00 2.27 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 2.41 2.37 0.00 87 V 7.97 3.58 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 88 V 7.57 3.87 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 1.21 0.00 0.00 0.99 0.00 0.00 89 E 7.99 3.94 0.00 1.99 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 2.35 2.69 0.00 90 L 8.15 4.23 0.00 1.69 1.73 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.13 4.52 4.49 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 1.30 0.00 0.00 92 G 8.09 3.76 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 0.00 0.00 0.00 93 Y 7.70 4.83 0.00 3.07 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 94 P 0.00 4.42 0.00 2.25 2.21 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 95 V 8.16 3.82 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 0.81 0.00 0.00 0.95 0.00 0.00 96 G 9.18 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 0.00 0.00 0.00 97 G 8.08 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 0.00 0.00 0.00 0.00 98 V 7.84 3.62 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 0.77 0.00 0.00 1.00 0.00 0.00 99 P 0.00 4.47 0.00 1.95 1.71 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.00 100 P 0.00 4.22 0.00 1.74 1.95 0.00 3.50 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.22 0.00 101 V 6.30 3.74 0.67 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 0.04 0.00 0.00 0.43 0.00 0.00 102 A 6.70 3.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 4.76 0.00 1.62 1.62 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.50 0.00 2.05 2.01 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 105 P 0.00 4.43 0.00 2.04 2.01 0.00 3.81 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 2.04 2.13 0.00 106 N 8.70 4.23 0.00 2.86 2.90 0.00 0.00 6.69 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.64 4.59 1.86 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 1.21 0.76 0.90 0.00 0.00 108 V 8.42 3.96 1.81 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 1.10 0.00 0.00 0.71 0.00 0.00 109 L 8.55 4.73 0.00 1.83 1.55 0.92 0.81 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 0.00 110 V 9.03 4.84 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 0.98 0.00 0.00 1.11 0.00 0.00 111 V 8.56 4.69 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 0.93 0.00 0.00 0.98 0.00 0.00 112 D 8.82 4.78 0.00 2.99 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 0.00 113 R 9.06 3.91 0.00 1.91 2.14 0.00 3.32 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 114 I 7.79 3.72 1.86 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 1.62 1.17 0.93 0.00 0.00 115 L 7.97 4.04 0.00 1.87 1.64 0.92 0.57 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 0.00 116 L 7.84 4.20 0.00 1.72 1.73 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.82 4.42 0.00 4.02 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 0.00 118 R 7.08 4.54 0.00 1.83 1.74 0.00 3.27 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 119 K 8.57 4.09 0.00 1.79 1.74 0.00 1.57 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.44 7.81 120 K 7.32 4.68 0.00 1.32 1.50 0.00 1.41 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.23 7.81 121 V 7.83 4.30 1.81 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 0.45 0.00 0.00 -0.27 0.00 0.00 122 Y 8.69 4.97 0.00 2.92 2.84 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 0.00 0.00 0.00 123 G 9.18 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.84 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 0.00 125 G 8.31 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 0.00 126 G 9.72 4.04 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 0.00 0.00 0.00 127 R 7.41 4.75 0.00 2.00 2.06 0.00 3.08 0.00 0.00 3.61 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 128 E 8.95 4.01 0.00 2.18 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 0.00 2.39 2.33 0.00 129 N 8.08 4.67 0.00 2.85 2.94 0.00 0.00 5.73 7.26 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 0.00 130 A 7.92 5.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.92 4.97 0.00 1.66 1.67 0.89 0.34 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 0.00 132 L 8.90 4.89 0.00 1.75 1.65 1.18 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 133 E 9.30 4.72 0.00 2.18 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 2.03 1.70 0.00 134 F 8.14 4.28 0.00 1.51 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 0.00 0.00 0.00 0.00 135 S 7.77 4.72 0.00 4.03 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 0.00 136 P 0.00 4.40 0.00 2.25 2.08 0.00 3.64 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 137 R 8.00 4.01 0.00 1.90 2.04 0.00 3.15 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 138 E 8.43 4.18 0.00 2.77 2.44 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 2.50 2.51 0.00 139 L 8.52 4.53 0.00 1.80 2.04 1.01 0.93 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 0.00 140 V 8.11 3.72 2.16 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 0.90 0.00 0.00 1.07 0.00 0.00 141 E 8.55 4.04 0.00 2.14 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 2.36 2.36 0.00 142 A 8.51 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 0.00 143 T 7.93 4.53 4.39 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 1.58 0.00 0.00 144 G 8.61 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.65 4.35 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 0.00 146 V 8.10 3.89 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 0.74 0.00 0.00 0.96 0.00 0.00 147 V 8.52 5.11 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 1.19 0.00 0.00 1.02 0.00 0.00 148 A 8.29 4.59 1.20 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 0.00 0.00 149 D 8.61 4.98 0.00 2.56 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 0.00 150 V 9.14 4.54 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 0.69 0.00 0.00 0.92 0.00 0.00 151 S 8.15 5.34 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.85 4.30 0.00 1.92 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 2.20 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.