NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4228 8.4045 118.7940 53.7719 33.1742 175.1269 *2 S 4.0302 8.6166 112.5048 59.4875 62.4466 170.0271 *3 K 4.1574 8.8565 129.1847 54.2489 33.0161 174.3445 *4 R 4.3832 8.5313 122.2218 53.9669 30.4335 173.4946 5 G 3.9239 9.1129 108.9651 47.1665 0.0000 169.8999 *6 R 3.8221 9.0635 123.2052 56.2834 29.1014 172.3144 7 G 4.0967 8.2181 109.0077 46.2468 0.0000 172.6075 8 G 3.5487 10.2014 114.1369 45.4657 0.0000 176.2676 *9 S 4.1674 9.4685 114.4125 57.7322 59.3070 172.2563 10 A 4.5288 7.7621 121.3031 52.9385 21.6850 177.4536 11 G 3.6136 8.7796 108.2518 46.2231 0.0000 176.0203 12 N 3.5469 6.8565 121.0160 54.5067 41.7823 173.9483 13 K 3.7289 7.1324 118.1206 56.2312 29.9193 174.1557 14 F 5.1608 7.7171 117.7724 55.6676 42.9547 174.0435 15 R 4.3951 8.4831 118.0143 54.7177 32.4564 175.3088 16 M 4.9940 8.2470 122.5274 53.7560 35.4057 174.4885 17 S 4.6955 8.2128 121.4415 57.0017 64.1857 174.3958 18 L 4.0709 8.8471 125.1124 55.5868 41.7740 177.0134 19 G 4.1373 8.9694 108.8320 45.6459 0.0000 172.5047 20 L 4.8569 7.9839 120.9177 52.0267 43.7002 174.7718 21 P 4.8630 0.0000 0.0000 61.8302 33.1572 176.0488 22 V 3.5076 7.7385 112.5147 63.1961 31.6914 177.1975 23 A 2.5800 8.1589 124.5835 51.4684 17.5414 178.2652 24 A 4.1833 7.1431 118.2929 52.0335 19.6537 176.7441 25 T 5.2561 8.3702 111.3170 59.9568 71.1102 174.1638 26 V 4.5762 8.8527 124.0577 59.6627 35.3504 174.3042 27 N 4.6582 8.9215 121.7498 54.0242 40.3405 173.0709 28 C 4.9061 8.5614 124.6843 57.5398 33.0653 172.5824 29 A 4.7562 9.1171 129.5891 52.1467 19.6968 175.6153 30 D 5.1806 7.9346 117.7607 52.6459 43.1298 174.5983 31 N 5.1079 7.8186 115.6228 53.2979 36.8286 175.5840 32 T 3.9698 8.8782 110.1694 62.9537 69.9117 175.8559 33 G 4.0004 8.3622 109.6421 45.2936 0.0000 173.5315 34 A 4.3398 7.3882 122.8604 52.4096 19.2638 178.3546 35 K 4.5684 8.8491 122.0805 53.5978 33.6819 175.9542 36 N 4.7642 7.3722 125.5918 53.3800 41.5361 172.9183 37 L 5.2384 8.4942 126.8409 53.3318 45.2760 174.8280 38 Y 5.1931 8.6137 121.3099 55.8840 41.7426 174.1839 39 I 4.3136 8.4800 128.4739 60.8793 38.5120 175.9114 40 I 4.3464 8.4188 123.0692 62.3459 39.5451 175.7290 41 S 4.6657 7.6677 115.9486 57.5552 67.4629 173.7707 42 V 4.6364 8.1156 121.0444 61.1086 34.1060 175.0071 43 K 4.4901 9.6947 131.5547 54.7032 29.8172 175.3615 44 G 3.9117 8.6030 121.5735 45.1778 0.0000 171.1040 45 I 3.8958 6.5245 121.6904 61.1465 38.5327 175.0981 46 K 4.7067 8.3296 122.8103 54.7487 36.4247 176.8554 47 G 4.2702 8.3941 113.0850 44.9825 0.0000 171.7242 48 R 4.4288 8.5685 117.5661 55.4168 32.2676 174.0469 49 L 3.5563 7.6506 117.9741 54.4767 41.6046 176.3902 50 N 4.4763 8.8558 123.8559 54.1926 39.1443 173.9197 51 R 4.3425 7.6379 117.1525 54.5351 30.9279 176.2339 52 L 3.8915 8.6229 122.4821 54.7460 42.3975 175.3348 53 P 4.3633 0.0000 0.0000 63.4217 32.1214 175.4456 54 S 5.2266 8.7881 119.3612 56.6413 66.4848 172.9298 55 A 5.1464 9.1811 123.8096 50.6716 22.9823 174.6871 56 C 5.4944 9.2321 112.5784 56.7500 32.8769 173.3503 57 V 3.7379 8.5338 119.5249 65.5128 30.9168 175.3698 58 G 4.3917 8.8424 116.5186 45.4813 0.0000 173.4223 59 D 4.6882 8.2425 120.0601 54.8451 42.2337 175.1810 60 M 4.7105 8.8772 122.1687 54.5445 33.8990 174.9128 61 V 4.8499 8.9026 125.6915 61.2781 35.8784 173.3722 62 M 5.0816 8.5392 124.1707 53.8888 34.3442 174.5690 63 A 5.2431 9.2124 126.5865 50.6670 23.6102 174.4688 64 T 4.8987 8.9704 113.7897 60.2676 71.0949 173.5959 65 V 4.3165 8.1273 127.0315 61.6317 31.5900 176.2171 66 K 4.0307 8.7033 130.7502 58.6139 32.9817 176.5864 67 K 4.4549 8.9928 119.7263 56.1035 36.2451 175.2683 68 G 4.4796 8.8067 115.3991 44.8190 0.0000 176.4335 69 K 4.4926 9.1741 124.3604 54.3242 34.8568 174.6383 70 P 4.7689 0.0000 0.0000 63.1186 32.0844 176.1504 71 D 4.5754 7.9275 118.8216 56.9655 41.8289 177.8735 72 L 4.0707 7.7437 118.6895 57.5281 41.7991 177.8590 73 R 4.1437 7.8271 117.4675 57.5051 30.3271 175.4728 74 K 3.7999 8.6760 124.7141 57.3277 31.6118 175.1579 75 K 4.4604 8.0110 116.1241 55.0648 34.1392 175.7068 76 V 4.6950 8.1588 121.6794 61.6213 33.2418 174.7049 77 M 4.9490 9.0033 126.3157 53.0840 37.0156 172.9060 78 P 4.9507 0.0000 0.0000 62.8142 33.1232 175.1907 79 A 5.0271 9.1738 123.0402 50.5243 23.3864 175.0596 80 V 4.5758 8.6875 118.7947 60.8439 34.9935 174.8242 81 I 4.2176 8.4404 128.6519 61.4943 37.4710 176.4787 82 V 4.0802 9.0594 127.4870 63.6353 33.9737 175.4991 83 R 3.7536 7.3475 116.9893 54.5026 34.8989 173.9314 84 Q 4.9906 8.3564 120.9664 55.1169 32.1756 175.3372 85 R 4.4928 9.7850 125.1567 57.6064 30.5616 176.1514 86 K 4.4430 8.0094 119.4481 54.6918 32.7980 174.4572 87 P 4.8356 0.0000 0.0000 63.2764 32.6827 174.6405 88 W 5.1444 9.7226 133.1535 55.6147 33.8980 174.0728 89 R 4.1239 8.4923 127.1938 54.2945 31.3510 175.9871 90 R 3.5886 8.0982 125.7274 54.6161 31.1630 177.6108 91 K 3.8568 8.0445 120.2787 59.5296 32.5742 177.7037 92 D 4.3941 8.1694 117.6830 57.5811 39.1357 176.1362 93 G 3.3187 6.8594 106.2821 44.2724 0.0000 174.1951 94 V 3.7635 8.2062 121.9979 62.7848 32.1605 174.3070 95 F 5.2431 8.7428 124.3371 56.3542 40.5704 174.9664 96 M 5.0012 9.3723 123.3827 53.7363 34.8793 174.4729 97 Y 5.2383 8.3553 119.2871 55.6546 41.7003 173.6457 98 F 4.5844 8.8471 118.0136 55.4421 42.2861 176.9693 99 E 3.8888 9.1243 120.6273 59.0904 29.4679 176.0810 100 D 5.0721 7.8798 114.9144 51.6461 42.8986 174.3575 101 N 5.1347 8.5124 115.4006 51.7573 40.5530 174.3423 102 A 5.1255 8.8639 124.9768 50.5002 23.3400 174.9547 103 G 4.3949 9.0971 106.9692 44.7553 0.0000 171.6849 104 V 4.9869 8.4902 113.2395 59.2348 34.9952 175.1476 105 I 4.5987 8.7248 117.4886 59.8678 39.3904 174.8435 106 V 4.7862 8.6359 124.7595 60.9890 34.7146 174.5291 107 N 4.7023 9.0212 123.8569 51.7618 39.7466 174.4053 108 P 4.4667 0.0000 0.0000 65.2153 31.2413 177.2505 109 K 4.0146 8.4863 119.4206 57.3327 32.2300 177.6254 110 G 3.9951 8.4799 106.7046 45.7582 0.0000 173.5597 111 E 4.3246 7.6719 119.0009 55.4404 30.5098 176.1328 112 M 4.4211 8.3143 120.4319 55.8664 32.4638 176.4960 113 K 4.3609 8.6011 122.4187 56.0871 32.5324 176.3940 114 G 4.2769 7.4621 105.1076 43.8424 0.0000 173.4184 115 S 4.2087 8.7293 117.1306 61.0675 63.1903 174.5690 116 A 4.7280 7.4064 119.2836 50.2258 22.5859 175.7494 117 I 4.1452 8.2566 120.1222 61.0566 39.3892 174.7931 118 T 4.4902 8.5173 119.4927 61.1611 70.0632 174.6970 119 G 3.9374 8.9588 116.5256 43.8316 0.0000 170.7960 120 P 4.7902 0.0000 0.0000 62.7442 32.4754 175.7345 121 I 4.4695 8.5546 120.9201 59.0102 40.8118 175.5734 122 G 3.9689 8.1505 113.6716 45.9991 0.0000 174.6949 123 K 4.0982 9.6596 125.8232 59.8685 32.4389 179.0788 124 E 3.9583 8.4397 118.3768 59.9481 29.1398 179.2242 125 C 4.4169 8.2890 117.3458 62.2380 27.8225 175.9157 126 A 4.0460 7.9308 121.9903 55.1060 17.8107 178.9060 127 D 4.3592 8.4418 116.7922 57.6941 41.0543 178.8280 128 L 3.9476 7.3192 117.4431 56.4730 43.4608 177.2748 129 W 4.8270 8.0927 120.7533 54.0977 28.7785 174.1689 130 P 4.6971 0.0000 0.0000 63.5950 31.2572 177.4581 131 R 4.6758 7.7405 117.6214 55.9508 30.8860 177.4651 132 I 3.9952 8.0547 121.1240 63.9649 37.4008 177.7476 133 A 4.1149 8.0980 121.4181 54.9171 18.0097 178.5504 134 S 4.7246 7.8738 111.0214 58.4390 63.1692 175.0319 135 A 4.6029 7.8727 122.3899 52.0847 19.5050 176.5313 136 A 4.5731 7.8442 120.6428 50.3933 19.9839 177.1947 137 N 4.4094 8.8942 122.3003 56.3833 39.5084 174.9039 138 A 4.8019 7.6535 118.1308 50.3642 22.9655 175.1413 139 I 5.0533 8.4356 121.7445 59.3568 40.8088 175.9211 140 V 4.0890 8.7983 126.0670 61.7852 31.4904 175.5280 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 *1 M 8.40 4.42 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 *2 S 8.62 4.03 0.00 3.70 3.71 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 *3 K 8.86 4.16 0.00 1.77 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *4 R 8.53 4.38 0.00 1.82 1.74 0.00 3.39 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 5 G 9.11 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 0.00 0.00 0.00 *6 R 9.06 3.82 0.00 2.01 1.81 0.00 3.26 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 7 G 8.22 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 10.20 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 S 9.47 4.17 0.00 3.81 3.77 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 10 A 7.76 4.53 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 11 G 8.78 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 12 N 6.86 3.55 0.00 2.75 2.85 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.13 3.73 0.00 1.70 2.03 0.00 1.06 0.00 0.00 1.40 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.21 7.81 14 F 7.72 5.16 0.00 2.59 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 15 R 8.48 4.40 0.00 1.51 1.63 0.00 3.16 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 16 M 8.25 4.99 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.05 0.00 17 S 8.21 4.70 0.00 3.90 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 18 L 8.85 4.07 0.00 1.66 1.67 0.94 0.91 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 19 G 8.97 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 20 L 7.98 4.86 0.00 1.74 1.57 0.94 0.95 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 21 P 0.00 4.86 0.00 2.07 2.19 0.00 3.87 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 2.03 1.98 0.00 22 V 7.74 3.51 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 0.77 0.00 0.00 0.91 0.00 0.00 23 A 8.16 2.58 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 24 A 7.14 4.18 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 25 T 8.37 5.26 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 26 V 8.85 4.58 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 0.92 0.00 0.00 27 N 8.92 4.66 0.00 2.90 2.78 0.00 0.00 6.72 7.18 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 28 C 8.56 4.91 0.00 2.99 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 29 A 9.12 4.76 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 30 D 7.93 5.18 0.00 2.59 2.60 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 0.00 31 N 7.82 5.11 0.00 2.67 2.76 0.00 0.00 7.25 7.58 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 32 T 8.88 3.97 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 1.30 0.00 0.00 33 G 8.36 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 34 A 7.39 4.34 1.22 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 0.00 0.00 0.00 35 K 8.85 4.57 0.00 1.65 1.72 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.36 7.81 36 N 7.37 4.76 0.00 2.87 2.82 0.00 0.00 6.93 6.66 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 37 L 8.49 5.24 0.00 1.59 1.57 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.61 5.19 0.00 2.87 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 39 I 8.48 4.31 1.84 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 1.27 1.44 0.86 0.00 0.00 40 I 8.42 4.35 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 1.11 0.00 0.00 41 S 7.67 4.67 0.00 3.77 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 42 V 8.12 4.64 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 1.03 0.00 0.00 1.01 0.00 0.00 43 K 9.69 4.49 0.00 1.77 1.92 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.51 7.81 44 G 8.60 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 45 I 6.52 3.90 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 1.31 0.87 0.93 0.00 0.00 46 K 8.33 4.71 0.00 1.70 1.64 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.48 7.81 47 G 8.39 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 0.00 0.00 0.00 0.00 48 R 8.57 4.43 0.00 1.96 2.01 0.00 2.99 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 49 L 7.65 3.56 0.00 1.66 1.64 0.92 0.95 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 50 N 8.86 4.48 0.00 2.90 2.95 0.00 0.00 7.23 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 51 R 7.64 4.34 0.00 1.86 1.85 0.00 3.41 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.74 0.00 52 L 8.62 3.89 0.00 1.61 1.64 0.92 1.08 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 53 P 0.00 4.36 0.00 2.07 2.01 0.00 3.53 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 2.14 0.00 54 S 8.79 5.23 0.00 3.72 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 55 A 9.18 5.15 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 56 C 9.23 5.49 0.00 3.21 3.12 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 0.00 0.00 0.00 57 V 8.53 3.74 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 0.55 0.00 0.00 0.99 0.00 0.00 58 G 8.84 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 0.00 0.00 0.00 0.00 59 D 8.24 4.69 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.88 4.71 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 61 V 8.90 4.85 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 0.92 0.00 0.00 0.97 0.00 0.00 62 M 8.54 5.08 0.00 2.17 1.88 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 2.47 2.52 0.00 63 A 9.21 5.24 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 64 T 8.97 4.90 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 1.27 0.00 0.00 65 V 8.13 4.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 66 K 8.70 4.03 0.00 1.82 1.97 0.00 1.87 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.41 7.81 67 K 8.99 4.45 0.00 1.87 1.63 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.42 7.81 68 G 8.81 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 69 K 9.17 4.49 0.00 1.85 1.67 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.39 7.81 70 P 0.00 4.77 0.00 2.16 2.14 0.00 3.74 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 1.95 0.00 71 D 7.93 4.58 0.00 2.67 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 72 L 7.74 4.07 0.00 1.83 1.69 0.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.83 4.14 0.00 1.73 1.82 0.00 3.41 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 74 K 8.68 3.80 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.33 7.81 75 K 8.01 4.46 0.00 1.87 1.68 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.41 7.81 76 V 8.16 4.69 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 0.82 0.00 0.00 0.92 0.00 0.00 77 M 9.00 4.95 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 78 P 0.00 4.95 0.00 2.18 1.88 0.00 3.52 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 2.08 2.06 0.00 79 A 9.17 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.69 4.58 1.62 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 0.78 0.00 0.00 -0.24 0.00 0.00 81 I 8.44 4.22 2.10 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 1.09 0.57 0.96 0.00 0.00 82 V 9.06 4.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 83 R 7.35 3.75 0.00 1.41 1.25 0.00 3.06 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 84 Q 8.36 4.99 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 85 R 9.79 4.49 0.00 1.88 2.04 0.00 3.22 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 86 K 8.01 4.44 0.00 1.85 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.62 7.81 87 P 0.00 4.84 0.00 2.16 2.19 0.00 3.56 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 1.89 1.90 0.00 88 W 9.72 5.14 0.00 3.57 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 89 R 8.49 4.12 0.00 0.89 1.27 0.00 2.94 0.00 0.00 2.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 90 R 8.10 3.59 0.00 1.62 0.83 0.00 2.97 0.00 0.00 2.65 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.45 0.00 91 K 8.04 3.86 0.00 2.12 2.14 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 92 D 8.17 4.39 0.00 2.76 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 93 G 6.86 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 0.00 0.00 0.00 94 V 8.21 3.76 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 0.98 0.00 0.00 0.95 0.00 0.00 95 F 8.74 5.24 0.00 2.95 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 96 M 9.37 5.00 0.00 1.64 1.88 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 97 Y 8.36 5.24 0.00 3.10 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 98 F 8.85 4.58 0.00 3.31 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 99 E 9.12 3.89 0.00 1.93 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 2.30 2.26 0.00 100 D 7.88 5.07 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.51 5.13 0.00 2.67 2.78 0.00 0.00 6.44 7.37 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 0.00 102 A 8.86 5.13 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 0.00 103 G 9.10 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 0.00 0.00 0.00 0.00 104 V 8.49 4.99 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 0.70 0.00 0.00 0.80 0.00 0.00 105 I 8.72 4.60 1.92 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 1.25 0.76 0.87 0.00 0.00 106 V 8.64 4.79 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 0.56 0.00 0.00 0.72 0.00 0.00 107 N 9.02 4.70 0.00 2.74 2.69 0.00 0.00 7.20 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 0.00 108 P 0.00 4.47 0.00 2.22 2.18 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 109 K 8.49 4.01 0.00 1.81 1.97 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.41 7.81 110 G 8.48 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 0.00 111 E 7.67 4.32 0.00 2.05 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 2.42 2.35 0.00 112 M 8.31 4.42 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 113 K 8.60 4.36 0.00 1.67 1.88 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.49 7.81 114 G 7.46 4.28 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 0.00 115 S 8.73 4.21 0.00 3.86 3.94 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 0.00 116 A 7.41 4.73 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 0.00 117 I 8.26 4.15 2.02 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 1.20 0.75 0.93 0.00 0.00 118 T 8.52 4.49 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 1.20 0.00 0.00 119 G 8.96 3.94 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 0.00 0.00 0.00 120 P 0.00 4.79 0.00 2.23 2.12 0.00 3.73 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 2.16 2.09 0.00 121 I 8.55 4.47 1.87 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 1.10 0.73 0.89 0.00 0.00 122 G 8.15 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 9.66 4.10 0.00 1.99 2.30 0.00 1.47 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.66 7.81 124 E 8.44 3.96 0.00 2.51 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 2.25 1.48 0.00 125 C 8.29 4.42 0.00 3.16 3.17 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 0.00 126 A 7.93 4.05 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 0.00 127 D 8.44 4.36 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 3.95 0.00 1.73 1.57 0.89 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 129 W 8.09 4.83 0.00 3.37 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 0.00 130 P 0.00 4.70 0.00 2.29 2.31 0.00 3.93 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 2.11 1.91 0.00 131 R 7.74 4.68 0.00 1.87 2.04 0.00 3.44 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 132 I 8.05 4.00 2.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.76 0.89 0.00 0.00 133 A 8.10 4.11 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 0.00 134 S 7.87 4.72 0.00 4.02 4.10 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 0.00 0.00 0.00 0.00 135 A 7.87 4.60 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 0.00 136 A 7.84 4.57 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 0.00 137 N 8.89 4.41 0.00 2.69 2.86 0.00 0.00 6.94 7.96 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 0.00 138 A 7.65 4.80 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 0.00 139 I 8.44 5.05 1.89 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 1.42 1.00 0.94 0.00 0.00 140 V 8.80 4.09 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 0.79 0.00 0.00 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.