NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.2035 8.3144 120.1350 56.5387 32.1724 174.3030 13 E 4.2986 8.2780 125.3718 53.3446 29.4500 169.2230 14 V 3.8349 9.2032 127.8278 62.6817 33.7685 173.8976 15 R 4.9641 9.2280 127.1631 55.1587 31.8204 175.2423 16 C 5.3943 9.3447 121.4599 57.7777 32.4479 172.7176 17 K 4.9906 8.8941 122.8968 54.9021 34.4704 174.8097 18 I 4.9087 8.8962 128.1162 59.5984 39.8538 174.5583 19 V 4.7849 9.1225 127.4926 61.4413 34.1956 174.1299 20 T 4.9565 8.7463 125.1988 62.1133 70.4537 173.8681 21 I 4.6275 8.5225 129.2529 60.8303 37.6497 175.4325 22 S 4.5928 8.5207 119.1574 57.9978 65.3552 175.4528 23 D 4.7047 9.0984 124.9128 54.9916 41.4615 177.1966 24 T 4.4636 7.6160 107.6089 62.1270 70.8080 175.2352 25 R 4.1371 8.1561 120.9255 56.2583 30.7578 175.4122 26 T 4.7487 8.5440 112.2891 60.0779 72.1707 175.3061 27 E 4.1568 8.9213 117.1086 59.2142 29.6384 177.0309 28 E 4.2182 7.8175 117.1760 58.4766 29.6022 177.6526 29 T 4.4953 7.6161 106.2524 61.2279 69.6419 175.4952 30 D 4.6735 7.7590 123.0636 53.3728 39.0273 176.0397 31 K 3.9834 8.0956 123.9148 59.1589 32.5496 178.5789 32 S 4.2520 8.1400 115.0290 61.5524 62.9145 176.8666 33 G 3.8475 8.7051 110.0507 47.3071 0.0000 175.5850 34 Q 3.8148 7.9667 121.5830 58.7140 28.9990 178.0017 35 L 3.9571 8.2737 121.7878 58.1193 42.1530 178.8594 36 L 3.9903 8.1401 119.0155 58.0737 41.4622 179.1076 37 H 4.0232 8.1040 115.7384 59.0125 28.6468 177.5786 38 E 3.9508 8.2486 120.0392 59.4647 29.3977 179.4981 39 L 3.9779 8.2547 119.2308 57.7397 41.6216 179.6382 40 L 3.9862 7.9600 118.7528 57.6324 41.6375 179.2233 41 K 3.9592 8.1808 119.7232 59.8506 31.9095 178.3738 42 E 3.9519 8.2160 117.5526 58.7790 29.5994 177.7128 43 A 4.3274 7.5873 118.1100 52.2687 18.9403 177.9405 44 G 3.7441 8.0114 105.7235 45.2581 0.0000 172.9258 45 H 4.9702 7.8702 116.9125 53.8655 31.5332 173.6833 46 K 4.6707 8.9719 119.2397 54.9128 35.9908 175.0341 47 V 4.8639 8.4345 125.0087 61.6933 32.5022 175.1848 48 T 4.5797 8.6276 117.7582 61.6776 69.8805 174.3448 49 S 4.7347 7.7940 115.6458 57.9303 65.8652 172.4962 50 Y 5.6315 8.4184 126.3108 56.7057 41.8060 173.2924 51 E 4.1757 8.5624 121.8696 55.3520 33.4977 173.9451 52 I 4.7438 7.9393 122.2048 59.9216 38.8914 175.3845 53 V 4.5064 8.3964 120.4879 58.9057 34.7145 175.8338 54 K 4.3315 8.6435 122.6351 57.1304 32.8444 177.0205 55 D 4.8245 9.3774 124.2276 52.7290 39.6053 174.9357 56 D 4.7362 7.9803 120.8083 49.9359 42.8845 176.8813 57 K 3.7796 8.9898 122.0319 60.2325 32.0441 178.9195 58 E 3.9631 8.1652 117.9386 59.5218 29.4193 179.4263 59 S 4.1837 9.1716 115.6499 61.3534 62.8333 176.8322 60 I 3.6802 7.7444 122.5844 64.5287 36.8496 178.4754 61 Q 3.9757 8.2425 119.0234 59.0442 28.4588 178.7031 62 Q 3.9362 8.2052 120.3473 59.1302 28.9249 178.2133 63 A 3.9754 8.0224 121.9149 54.9645 18.4010 179.8854 64 V 3.5521 7.8308 116.8723 66.2428 31.6476 178.4136 65 L 4.1032 8.2582 118.6601 57.5562 41.1662 179.3148 66 A 4.1704 8.2159 120.7126 55.0867 18.6220 179.6331 67 G 3.6766 7.9996 104.3499 47.9594 0.0000 175.2682 68 Y 3.9763 7.8215 121.0264 60.7508 38.9366 177.3971 69 H 4.5203 8.2411 113.6759 55.2175 29.4388 174.9772 70 K 4.2962 7.4236 124.3809 54.9482 32.5959 177.0823 71 E 3.9545 8.9461 126.7972 58.9992 29.5056 177.2824 72 D 4.8649 7.8552 116.6063 52.9696 40.0695 175.9734 73 V 4.3387 7.5341 119.0940 62.3157 33.4999 174.3573 74 D 4.7931 9.2435 127.2495 55.2556 42.9407 176.7809 75 V 4.7587 7.6086 116.6482 60.9647 35.6310 174.2388 76 V 4.7602 8.6928 126.5122 61.0972 34.1120 174.0225 77 L 5.3588 9.0294 128.3055 53.1686 44.2542 175.6047 78 T 5.3526 9.0791 114.5698 59.8471 72.2078 172.8048 79 N 4.9991 9.2318 120.1190 52.5883 40.6357 174.4099 80 G 4.0375 9.0195 107.4689 46.0514 0.0000 174.3714 81 G 4.1638 9.0320 104.9882 46.3037 0.0000 173.7850 82 T 4.3861 7.5325 110.1338 59.8446 70.1561 174.4727 83 G 4.1033 7.7671 111.7037 45.6234 0.0000 172.1635 84 I 4.1604 7.8025 111.4896 60.9127 38.5605 175.9716 85 T 4.3526 7.9217 112.7650 60.3212 69.9840 175.6457 86 K 3.9327 8.5435 122.9776 59.2966 32.1939 177.4189 87 R 4.2449 7.5005 112.3750 56.1250 29.5829 175.6276 88 D 4.8329 7.8172 119.2079 53.5076 41.2499 176.2901 89 V 4.4387 8.0895 115.8560 60.8157 33.5820 177.7370 90 T 3.8684 7.7915 117.6032 67.0257 68.1799 176.2430 91 I 3.7366 7.7608 120.7958 64.6564 37.0555 178.2901 92 E 3.9614 8.1617 118.5865 59.1169 29.1340 179.0934 93 A 3.9794 8.1011 120.4671 55.2486 18.8206 179.6035 94 V 3.6675 8.0776 117.0692 65.9639 31.4800 177.9792 95 S 4.0670 8.4384 113.1392 61.5174 61.9415 176.1169 96 A 4.0027 7.6524 122.1966 54.4220 18.1321 178.7041 97 L 4.2334 7.5882 115.9168 54.8600 42.5909 177.2990 98 L 4.2822 6.9815 119.5250 54.6986 42.3029 176.9263 99 D 4.4065 9.1129 124.3061 56.6233 41.2251 176.8832 100 K 4.5436 7.5516 118.8609 54.4215 35.4072 174.5156 101 E 4.4174 8.8926 128.7603 56.1082 30.7324 177.0033 102 I 4.2225 8.6824 129.3931 59.6605 35.7223 176.4461 103 V 3.7976 8.3463 120.1889 64.4878 31.6160 177.8167 104 G 3.8067 8.2587 104.5681 47.3508 0.0000 175.3592 105 F 4.4871 8.5675 123.3070 61.3924 39.5898 177.3160 106 G 3.5330 8.2131 104.7556 47.8060 0.0000 174.9708 107 E 3.9521 7.7371 119.6838 59.4022 29.6640 179.3937 108 L 4.1338 8.0291 117.7351 57.4863 41.9214 179.0450 109 F 4.2390 8.2449 120.9629 61.1860 39.1564 177.6629 110 R 3.6761 7.7312 115.4257 56.7731 29.8179 178.5787 *112 I 4.0608 7.7342 121.8944 61.5911 39.3957 178.3030 113 S 3.9567 7.7348 116.3055 61.4809 62.4167 176.1566 114 Y 4.0654 8.0931 122.2615 60.8000 38.4002 178.1627 115 L 3.9348 7.9683 117.9356 57.0633 42.0287 178.2051 116 E 4.5474 8.3881 115.4381 55.4932 30.5952 175.7234 117 D 4.5788 8.3680 115.3208 54.8196 42.4803 175.1781 118 I 4.0441 8.5353 111.9005 60.1039 40.0137 177.6605 119 G 3.6165 7.6401 110.7035 46.5818 0.0000 176.4778 120 S 4.3650 8.8988 115.5849 61.4286 62.8309 176.3403 121 S 4.1608 7.7090 116.3579 61.2820 63.3567 175.5117 122 A 4.7021 8.0680 125.3873 51.4725 16.2725 178.4646 *124 L 4.3761 7.5735 120.0742 54.2705 44.4057 178.5986 125 S 4.4194 7.8404 116.1572 58.4441 63.3728 173.3779 126 R 4.8572 8.3337 122.2077 54.4831 32.9298 174.8499 127 A 4.6965 8.2521 122.6998 51.5114 22.1230 175.0402 128 I 4.8137 8.6479 119.3938 60.0723 42.1149 173.8070 129 G 4.1586 8.6563 113.5643 44.6732 0.0000 171.3850 130 G 4.2626 7.8165 107.8756 46.1796 0.0000 172.1262 131 T 4.9630 8.1275 110.3153 60.4350 71.8101 174.6952 132 I 4.4449 8.4341 123.5805 59.7332 40.3955 175.4315 133 G 3.7259 9.2505 120.5169 47.3233 0.0000 173.2389 134 R 4.4432 8.8194 123.7071 55.9118 30.1893 175.4105 135 K 4.9072 8.2482 117.9603 54.4794 36.3122 175.2496 136 V 4.7580 8.0921 118.4276 59.9823 35.0661 174.7507 137 V 4.7829 8.5118 121.8325 61.1439 34.9769 174.1786 138 F 4.9932 9.1459 125.5049 55.8344 42.3265 174.1908 139 S 5.5877 9.2099 119.6790 55.3924 66.2703 171.9173 *141 P 4.5638 0.0000 0.0000 62.3909 32.1855 177.3598 142 G 3.7927 8.5353 108.2512 47.4239 0.0000 175.2080 143 S 4.3934 7.9358 116.2318 58.0264 65.2266 175.2909 144 S 4.3096 8.7661 119.2354 61.4938 62.7541 177.0637 145 G 3.6077 8.1065 108.9338 47.5870 0.0000 175.4735 146 A 4.2452 7.9962 122.8795 54.9078 18.2341 179.8430 147 V 3.5649 7.7125 115.6884 66.1435 31.6791 177.9246 148 R 4.0481 8.2662 117.5964 59.2955 30.2281 177.9584 149 L 4.1701 8.1445 119.8562 58.0726 42.0876 178.9896 150 A 4.4003 8.1897 116.5485 53.7430 17.8625 178.4869 *152 N 4.6103 7.9902 118.1741 54.1916 40.4963 176.0904 153 K 4.2828 8.2109 116.0348 57.8947 32.7719 177.0534 154 L 4.6372 7.8263 115.0514 56.1026 44.0464 178.4079 155 I 3.3898 7.8218 119.1894 64.0679 36.5676 178.2184 156 L 3.9541 7.8421 119.2967 57.5784 41.4076 177.9317 157 P 4.4164 0.0000 0.0000 64.7370 31.4808 176.9445 158 E 4.5356 8.0030 116.8833 55.7857 30.5020 177.4663 159 L 4.0909 7.5304 119.4625 57.9209 41.7852 179.5542 160 G 3.6641 8.0100 104.7653 48.1617 0.0000 175.1603 161 H 4.3788 8.0955 118.4092 58.6470 28.7638 177.8078 162 I 3.7809 8.1895 121.9698 64.7074 37.0669 178.4930 163 T 3.8015 8.0473 110.5875 64.8161 68.1438 175.9753 164 F 4.1628 8.1875 122.4148 61.1825 39.6711 176.3784 165 E 3.9438 8.4338 118.8616 59.2668 29.2011 178.5692 166 L 4.1814 7.9475 117.6194 56.7278 41.7686 177.8964 167 H 4.8162 7.3660 113.9703 55.4887 29.0092 175.1239 168 R 3.9722 7.2560 124.7750 56.3711 29.9856 176.2633 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 12 K 8.31 4.20 0.00 1.78 1.92 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 13 E 8.28 4.30 0.00 2.06 1.90 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 2.24 2.58 0.00 14 V 9.20 3.83 1.91 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 0.98 0.00 0.00 0.95 0.00 0.00 15 R 9.23 4.96 0.00 1.91 1.95 0.00 3.23 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 16 C 9.34 5.39 0.00 2.77 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 17 K 8.89 4.99 0.00 1.83 1.66 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.59 7.81 18 I 8.90 4.91 2.08 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 1.06 0.62 1.10 0.00 0.00 19 V 9.12 4.78 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 0.98 0.00 0.00 0.95 0.00 0.00 20 T 8.75 4.96 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 1.32 0.00 0.00 21 I 8.52 4.63 1.91 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 1.12 0.53 0.94 0.00 0.00 22 S 8.52 4.59 0.00 3.85 3.68 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 23 D 9.10 4.70 0.00 2.71 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 24 T 7.62 4.46 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 1.22 0.00 0.00 25 R 8.16 4.14 0.00 1.83 1.95 0.00 3.39 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 26 T 8.54 4.75 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 1.22 0.00 0.00 27 E 8.92 4.16 0.00 2.01 1.93 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 2.23 1.92 0.00 28 E 7.82 4.22 0.00 2.09 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 2.35 2.30 0.00 29 T 7.62 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 1.23 0.00 0.00 30 D 7.76 4.67 0.00 3.05 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 31 K 8.10 3.98 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.55 7.81 32 S 8.14 4.25 0.00 4.01 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 33 G 8.71 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 34 Q 7.97 3.81 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 35 L 8.27 3.96 0.00 1.87 1.83 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.14 3.99 0.00 1.91 1.69 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.10 4.02 0.00 3.41 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.25 3.95 0.00 2.14 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 2.32 2.66 0.00 39 L 8.25 3.98 0.00 1.66 1.72 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.96 3.99 0.00 1.90 1.73 0.88 0.71 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 41 K 8.18 3.96 0.00 1.88 1.97 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 E 8.22 3.95 0.00 2.04 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 0.00 2.31 2.32 0.00 43 A 7.59 4.33 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 44 G 8.01 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 45 H 7.87 4.97 0.00 3.14 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.97 4.67 0.00 1.78 1.60 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 47 V 8.43 4.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.79 0.00 0.00 48 T 8.63 4.58 4.40 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 0.00 0.00 0.00 1.22 0.00 0.00 49 S 7.79 4.73 0.00 3.91 3.72 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 50 Y 8.42 5.63 0.00 2.94 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 51 E 8.56 4.18 0.00 1.87 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 0.00 2.10 2.16 0.00 52 I 7.94 4.74 1.77 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 1.34 0.35 0.93 0.00 0.00 53 V 8.40 4.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 54 K 8.64 4.33 0.00 1.63 1.75 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.39 7.81 55 D 9.38 4.82 0.00 2.62 2.88 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 56 D 7.98 4.74 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.99 3.78 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 58 E 8.17 3.96 0.00 2.21 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 2.39 2.46 0.00 59 S 9.17 4.18 0.00 3.93 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 60 I 7.74 3.68 2.03 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 1.83 0.84 0.91 0.00 0.00 61 Q 8.24 3.98 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 62 Q 8.21 3.94 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 63 A 8.02 3.98 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 64 V 7.83 3.55 2.21 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 1.01 0.00 0.00 0.95 0.00 0.00 65 L 8.26 4.10 0.00 1.76 1.79 0.91 0.62 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 66 A 8.22 4.17 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.00 3.68 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 0.00 0.00 0.00 68 Y 7.82 3.98 0.00 2.95 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 69 H 8.24 4.52 0.00 3.23 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.42 4.30 0.00 1.96 1.76 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.39 7.81 71 E 8.95 3.95 0.00 1.96 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 2.29 2.23 0.00 72 D 7.86 4.86 0.00 2.76 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 73 V 7.53 4.34 2.33 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 0.91 0.00 0.00 0.93 0.00 0.00 74 D 9.24 4.79 0.00 2.70 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 75 V 7.61 4.76 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 1.23 0.00 0.00 0.97 0.00 0.00 76 V 8.69 4.76 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 1.03 0.00 0.00 0.96 0.00 0.00 77 L 9.03 5.36 0.00 1.62 1.57 0.91 0.79 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 78 T 9.08 5.35 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 79 N 9.23 5.00 0.00 3.00 2.93 0.00 0.00 7.28 6.53 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 80 G 9.02 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 81 G 9.03 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 0.00 0.00 0.00 0.00 82 T 7.53 4.39 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 1.28 0.00 0.00 83 G 7.77 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 84 I 7.80 4.16 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.93 0.00 0.00 85 T 7.92 4.35 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 1.22 0.00 0.00 86 K 8.54 3.93 0.00 1.74 1.89 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.44 7.81 87 R 7.50 4.24 0.00 2.10 2.02 0.00 3.10 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 1.61 1.60 0.00 88 D 7.82 4.83 0.00 2.93 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 89 V 8.09 4.44 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 0.84 0.00 0.00 0.93 0.00 0.00 90 T 7.79 3.87 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 1.23 0.00 0.00 91 I 7.76 3.74 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 1.66 0.63 0.93 0.00 0.00 92 E 8.16 3.96 0.00 1.98 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 2.40 2.32 0.00 93 A 8.10 3.98 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 94 V 8.08 3.67 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 0.95 0.00 0.00 0.98 0.00 0.00 95 S 8.44 4.07 0.00 4.02 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 96 A 7.65 4.00 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 97 L 7.59 4.23 0.00 1.67 1.64 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 98 L 6.98 4.28 0.00 1.55 1.53 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.11 4.41 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.55 4.54 0.00 1.84 1.56 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 101 E 8.89 4.42 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 102 I 8.68 4.22 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 1.03 0.00 0.00 103 V 8.35 3.80 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 1.15 0.00 0.00 0.97 0.00 0.00 104 G 8.26 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 0.00 105 F 8.57 4.49 0.00 3.39 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 0.00 106 G 8.21 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 0.00 107 E 7.74 3.95 0.00 2.09 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 0.00 2.36 2.50 0.00 108 L 8.03 4.13 0.00 1.74 1.77 0.98 1.19 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 0.00 109 F 8.24 4.24 0.00 2.64 2.98 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 0.00 110 R 7.73 3.68 0.00 2.05 1.88 0.00 3.21 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 *112 I 7.73 4.06 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.90 0.00 0.00 113 S 7.73 3.96 0.00 3.68 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 8.09 4.07 0.00 3.10 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 0.00 115 L 7.97 3.93 0.00 1.67 1.71 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.39 4.55 0.00 1.93 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 2.22 2.25 0.00 117 D 8.37 4.58 0.00 2.49 2.37 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 0.00 118 I 8.54 4.04 1.84 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 1.26 0.62 0.88 0.00 0.00 119 G 7.64 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.90 4.36 0.00 4.07 4.18 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 0.00 121 S 7.71 4.16 0.00 3.98 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 0.00 122 A 8.07 4.70 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 *124 L 7.57 4.38 0.00 1.81 1.81 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.84 4.42 0.00 4.15 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 0.00 126 R 8.33 4.86 0.00 1.78 1.82 0.00 3.25 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 127 A 8.25 4.70 0.74 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 0.00 128 I 8.65 4.81 1.94 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 1.20 1.12 0.95 0.00 0.00 129 G 8.66 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 0.00 0.00 0.00 0.00 130 G 7.82 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 0.00 0.00 0.00 0.00 131 T 8.13 4.96 4.19 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 1.14 0.00 0.00 132 I 8.43 4.44 1.83 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 1.17 0.53 0.31 0.00 0.00 133 G 9.25 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 0.00 0.00 0.00 134 R 8.82 4.44 0.00 1.86 1.95 0.00 3.18 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 135 K 8.25 4.91 0.00 1.98 1.82 0.00 1.21 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.32 1.32 7.81 136 V 8.09 4.76 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.40 0.00 0.00 137 V 8.51 4.78 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 0.95 0.00 0.00 0.87 0.00 0.00 138 F 9.15 4.99 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 0.00 0.00 0.00 139 S 9.21 5.59 0.00 3.75 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 *141 P 0.00 4.56 0.00 2.16 2.10 0.00 3.49 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 142 G 8.54 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 0.00 0.00 0.00 143 S 7.94 4.39 0.00 4.10 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 0.00 144 S 8.77 4.31 0.00 4.09 4.19 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 0.00 145 G 8.11 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 0.00 146 A 8.00 4.25 1.57 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 0.00 147 V 7.71 3.56 2.26 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 0.86 0.00 0.00 1.02 0.00 0.00 148 R 8.27 4.05 0.00 1.99 2.10 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 149 L 8.14 4.17 0.00 1.89 1.77 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.19 4.40 1.46 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 *152 N 7.99 4.61 0.00 2.86 2.94 0.00 0.00 7.08 7.61 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 0.00 153 K 8.21 4.28 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.56 7.81 154 L 7.83 4.64 0.00 1.89 1.79 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.82 3.39 1.64 0.00 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.42 0.41 0.00 0.00 156 L 7.84 3.95 0.00 1.67 1.74 0.92 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 0.00 157 P 0.00 4.42 0.00 2.22 2.18 0.00 3.59 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 2.19 2.06 0.00 158 E 8.00 4.54 0.00 1.99 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 2.38 2.51 0.00 159 L 7.53 4.09 0.00 1.64 1.63 0.72 0.80 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 0.00 160 G 8.01 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 0.00 161 H 8.10 4.38 0.00 3.40 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.19 3.78 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.94 0.00 0.00 163 T 8.05 3.80 4.34 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 1.29 0.00 0.00 164 F 8.19 4.16 0.00 3.18 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 0.00 165 E 8.43 3.94 0.00 2.27 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 2.38 0.00 166 L 7.95 4.18 0.00 1.46 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 167 H 7.37 4.82 0.00 3.05 3.23 0.00 5.65 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.26 3.97 0.00 1.80 1.67 0.00 2.63 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 1.03 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.