NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1259 8.0249 114.2714 60.1965 39.2546 175.1810 3 R 3.9748 8.1713 120.7330 55.1526 30.8028 175.6240 4 P 4.3034 0.0000 0.0000 65.8102 32.3482 178.5724 5 E 3.8955 8.2086 115.8982 59.6203 28.8931 178.7719 6 Y 3.7516 8.0870 117.5138 60.4939 37.8544 177.7630 7 L 3.9960 7.9581 120.9180 58.2409 42.2610 179.1216 8 R 3.8806 8.2763 118.3485 59.2465 29.9028 179.2781 9 V 3.4943 7.6161 117.7466 65.6502 31.4641 177.6769 10 L 3.9526 8.2241 120.5708 58.2467 41.7982 178.9536 11 R 4.0128 8.2717 118.6723 59.4922 29.5207 178.5865 12 K 4.0010 8.1223 118.2244 59.4512 32.1061 179.3856 13 I 3.9009 8.0358 120.2164 64.6212 36.9928 177.6991 14 Y 4.2823 8.5329 120.6852 61.1318 38.4122 177.9738 15 D 4.2914 8.3793 118.6754 57.4785 40.9857 178.7140 16 R 3.9492 7.5982 116.2442 58.0163 30.3987 177.9588 17 L 4.3133 7.5165 117.8412 55.2020 42.1148 178.7393 18 K 3.9711 7.9568 118.0037 59.0111 32.4415 177.4572 19 N 4.9672 7.9900 114.7611 52.6856 39.2212 173.4958 20 E 4.6792 7.7734 117.5558 54.5363 31.8938 177.0957 21 K 4.3449 8.3047 124.2988 55.2119 30.6331 175.3592 22 V 4.3517 7.5149 119.0013 60.5908 34.3403 174.2923 23 N 4.9947 8.8411 126.3848 52.3653 39.1735 173.3058 24 W 5.6224 8.5736 122.4010 54.8318 31.9080 174.8685 25 V 4.3318 8.7886 119.6365 60.2125 34.6695 173.8838 26 V 4.4577 8.8129 124.6104 62.9960 32.6771 174.9056 27 T 4.6000 8.3288 117.0836 60.6025 72.2648 174.7652 28 G 3.4271 8.7097 109.1992 45.7109 0.0000 174.3222 29 S 3.8747 8.3686 112.7891 61.6901 62.6568 176.2880 30 L 3.8131 7.5778 123.3736 57.5919 41.9707 178.6721 31 S 3.9795 7.6690 112.5892 61.2863 62.3563 175.8247 32 F 4.2535 7.8109 120.3565 60.6521 38.6868 177.4784 33 A 4.3239 8.0486 121.6236 54.7785 17.9842 179.6447 34 L 3.9830 8.0359 116.4579 57.5465 41.7009 178.8116 35 Q 4.4555 7.4972 115.2504 55.5410 29.0102 176.4595 36 G 4.0524 7.8813 108.5746 44.9685 0.0000 174.0681 37 V 2.6599 7.3874 121.4150 61.0428 31.7931 174.0850 38 P 4.7571 0.0000 0.0000 61.6263 29.6106 175.4337 39 V 4.4554 7.2577 118.2035 59.7001 34.9288 175.3774 40 E 4.0043 8.5436 122.9737 56.0377 30.1696 176.1094 41 V 4.2864 8.2211 124.4606 60.4122 33.1834 174.6900 42 H 4.9265 8.5723 120.5519 54.8408 30.5235 172.5298 43 D 5.0170 7.5202 117.1289 52.8707 45.4192 174.1446 44 I 4.5931 8.5888 118.9159 60.0485 40.6541 174.6345 45 D 5.3597 8.6993 126.3267 52.5750 43.3715 175.0550 46 I 4.9509 8.9593 124.7915 59.5768 40.1131 174.3487 47 Q 4.7462 9.0461 128.7342 55.2310 31.6706 174.3753 48 T 5.2935 8.3264 118.0319 60.9497 71.5669 171.6024 49 D 5.1794 8.5256 122.4722 51.8520 42.8784 176.4381 50 E 3.9239 8.5603 118.5513 59.7714 29.6016 178.3777 51 E 4.2608 8.3579 118.1835 59.5048 29.5549 179.4602 52 G 4.1394 8.9333 106.9008 47.1681 0.0000 175.6418 53 A 3.9607 7.9712 122.6879 55.3256 18.4189 179.4325 54 Y 3.9785 7.5765 114.4379 61.0361 37.8067 178.4917 55 E 4.0325 8.5105 119.7463 59.4268 29.5266 179.3540 56 I 3.8017 8.2791 120.3301 64.2843 36.9881 177.8686 57 E 3.9526 8.2370 120.1716 59.3953 29.1888 178.9544 58 R 3.9247 7.7540 117.1029 59.6674 30.2946 178.2077 59 I 3.7255 7.9127 118.4572 63.2902 37.2974 177.4308 60 F 5.0678 8.3529 118.7562 56.8702 40.2230 178.1595 61 S 4.3645 8.4855 115.5435 60.7758 62.8569 175.7495 62 E 3.9266 7.9262 116.6078 57.5880 29.7282 176.9828 63 F 4.7602 8.1619 118.1039 57.1052 39.7473 175.3954 64 V 4.1852 7.5127 122.7229 62.9442 31.5261 175.4906 65 S 4.6439 8.7907 122.2144 58.8061 64.9324 174.4172 66 K 4.4388 7.5911 121.5221 54.2083 34.9566 175.7805 67 K 4.3804 8.6824 127.0761 56.0822 32.9769 177.1288 68 V 3.6659 8.3699 124.1899 63.2838 31.9014 175.2875 69 R 4.9097 8.6565 126.6616 54.6381 34.1122 173.6579 70 F 4.4901 9.0133 127.0540 58.6678 40.1882 174.2386 71 S 4.5899 8.1540 120.5795 56.4369 65.6845 172.8839 72 S 4.9249 8.5176 120.4400 56.5346 65.7967 173.0222 73 T 4.8025 8.5825 112.4024 59.6627 71.2040 173.6883 74 E 4.1185 8.8262 119.5519 58.8860 29.6828 178.1942 75 K 4.4587 8.1641 117.3442 57.0341 33.8761 176.0064 76 I 5.5529 7.5519 117.9324 59.9921 41.8008 173.8550 77 C 4.9815 8.6242 119.2621 56.8281 33.5016 172.6099 78 S 4.8595 7.6736 112.9950 58.3144 66.5527 174.8226 79 H 5.0017 9.3570 118.7632 55.0465 28.9092 174.9044 80 F 5.2564 9.1837 127.2738 56.3811 41.8589 174.5374 81 G 4.1012 8.9093 112.2545 44.6758 0.0000 170.2879 82 E 5.1528 8.9674 119.4693 54.4875 33.4038 174.0867 83 L 5.2650 8.9709 125.7093 53.0756 45.3661 175.4026 84 I 4.9619 8.7994 121.8433 59.7208 40.0764 175.3092 85 I 4.2013 8.4865 128.2877 60.3211 39.2998 175.6811 86 D 4.3749 9.8634 127.1343 55.4033 38.2473 174.9730 87 G 3.8923 8.2580 104.3220 45.5882 0.0000 173.4471 88 I 4.2676 7.3817 121.7155 59.2008 38.7397 175.0239 89 K 4.5669 8.4731 125.0917 56.2149 33.5931 175.9890 90 V 4.6874 8.9055 124.9768 61.1865 34.1577 173.9529 91 E 4.8354 9.3613 128.9915 55.5358 30.9914 176.1684 92 I 4.9171 8.2017 125.5176 58.6999 40.7938 174.7493 *94 G 3.7621 8.2755 109.1261 46.6635 0.0000 172.5286 95 D 4.5278 8.7065 123.1515 55.1912 40.0325 174.1520 96 I 4.1640 7.5774 118.9053 61.7106 38.3221 177.5969 97 R 4.8241 8.9370 125.4175 54.3123 33.9671 174.7896 98 K 4.9581 9.3404 122.8335 55.4887 33.9082 176.3195 99 R 4.0342 8.9500 125.7594 56.4776 30.6560 176.2211 100 L 4.4895 8.8192 126.4247 53.2779 43.5932 177.6711 101 E 3.8416 8.7727 119.7545 59.4385 29.4227 178.0157 102 D 4.5133 7.9758 115.5670 53.2090 39.7121 177.1717 103 G 3.7159 8.1151 109.2581 45.3371 0.0000 173.9071 104 T 4.1520 7.8715 110.5117 61.0462 70.7426 173.3449 105 W 5.4424 8.3786 121.6413 54.8715 30.6637 176.5928 106 E 4.3222 9.1630 122.5409 56.2969 29.7970 176.6478 107 D 4.6462 8.6781 120.3620 53.4621 41.6247 174.7840 108 P 4.3360 0.0000 0.0000 62.9745 31.8150 176.4150 109 V 3.9403 8.2607 122.4747 62.1063 32.4759 175.4084 110 D 4.6312 8.6658 126.9669 53.2579 40.4127 176.2709 111 L 4.0434 8.4156 127.7576 57.7131 41.7849 178.9340 112 N 4.3703 8.2283 115.8949 55.9538 38.2112 177.1029 113 K 3.8560 7.8602 120.4301 58.6469 32.4131 176.7164 114 Y 4.6613 7.3593 113.7834 57.3506 39.3515 175.7633 115 K 4.4515 7.5697 120.4751 56.2823 33.2511 175.9897 116 R 4.7219 8.8574 124.5021 54.3472 34.9131 173.9395 117 F 5.1364 8.5876 117.3769 55.7668 42.7541 174.8665 118 V 4.4353 8.6625 122.4022 61.0097 34.2958 173.7245 119 E 4.6963 8.8272 128.9139 55.4661 30.5380 175.3704 120 T 4.5110 8.2017 120.3564 62.2708 70.4997 172.9677 121 H 4.0743 9.9049 125.6190 56.8653 26.9411 174.2742 122 G 3.3909 7.2430 100.7685 45.8550 0.0000 176.0005 *124 K 4.1602 7.5517 117.7623 56.3567 33.5196 175.0428 125 I 4.4667 8.7880 129.6288 59.0219 39.2075 173.5775 126 P 4.2921 0.0000 0.0000 62.5234 32.5704 175.7068 127 V 4.7914 8.5033 116.5593 59.2727 36.2740 174.1435 128 L 4.7031 7.9420 124.6358 53.6422 43.4533 176.2156 129 S 4.0624 8.9653 120.0128 59.4108 62.7711 175.4532 130 L 4.0831 8.9099 126.8520 57.9783 41.4812 179.3869 131 E 4.0329 8.2351 118.2100 59.3151 29.4524 178.5263 132 Y 3.7982 8.0471 119.4576 60.8218 38.9145 178.0795 133 E 3.8932 8.4371 119.4704 59.3052 29.4975 178.6535 134 Y 3.9331 8.1313 119.7968 60.9572 38.9223 178.4052 135 Q 3.6079 7.9801 118.5877 58.6796 28.7328 178.6824 136 A 3.8194 7.7049 121.8155 55.2707 17.9956 179.2960 137 Y 4.0743 8.5610 115.6596 61.0533 37.8801 178.6777 138 L 3.9153 7.7018 119.8889 57.9196 41.5330 179.7426 139 K 3.9151 7.5793 116.6488 59.3409 32.0740 178.7054 140 L 4.2575 7.6783 116.8487 54.9494 41.7508 177.8887 141 G 3.8268 7.7044 107.0963 46.4621 0.0000 175.8614 142 R 4.2269 7.7287 120.7946 54.8385 26.5484 177.2889 143 V 3.5806 7.3727 122.1242 65.8790 32.2411 176.6297 144 E 4.1207 8.1015 118.6260 59.2809 29.6139 178.7785 145 K 4.0548 8.1041 117.8639 59.3829 32.1514 178.9444 146 A 4.1645 8.3951 121.1623 55.4410 18.2308 179.5983 147 E 4.0257 8.7814 117.4736 59.7308 29.5033 179.6649 148 T 3.8800 8.3270 116.2290 66.6523 68.5205 176.6436 149 L 3.8201 7.7732 120.7021 57.6549 41.5335 179.5158 150 R 3.5357 8.1953 118.9055 59.1530 29.9999 178.4445 151 K 3.8643 8.2895 119.6371 59.2247 32.0032 178.4735 152 W 4.0598 7.9827 127.3137 60.5217 31.0105 177.6105 153 L 3.9865 8.5646 119.3092 57.8932 40.5576 179.2342 154 N 4.2737 8.7179 117.0022 56.3179 38.2276 177.1544 155 E 4.0282 8.0593 118.6000 58.0376 29.6036 178.3172 156 R 4.2512 6.8074 115.5602 55.3766 30.6586 175.9629 157 K 4.0271 7.4033 125.2409 56.6070 32.1739 176.3636 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 2 I 8.02 4.13 1.86 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 1.16 0.88 0.00 0.00 3 R 8.17 3.97 0.00 2.18 2.25 0.00 3.14 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 4 P 0.00 4.30 0.00 2.16 2.12 0.00 3.64 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 2.13 2.17 0.00 5 E 8.21 3.90 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 6 Y 8.09 3.75 0.00 3.31 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.96 4.00 0.00 1.74 1.81 0.84 0.69 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 8 R 8.28 3.88 0.00 1.96 1.93 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 9 V 7.62 3.49 1.89 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 0.89 0.00 0.00 0.80 0.00 0.00 10 L 8.22 3.95 0.00 1.92 1.91 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.27 4.01 0.00 1.98 2.10 0.00 3.61 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 12 K 8.12 4.00 0.00 1.93 1.82 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.68 7.81 13 I 8.04 3.90 2.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.01 0.60 0.00 0.00 14 Y 8.53 4.28 0.00 3.24 3.26 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 15 D 8.38 4.29 0.00 2.80 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 16 R 7.60 3.95 0.00 1.43 1.38 0.00 2.36 0.00 0.00 2.80 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 17 L 7.52 4.31 0.00 1.20 1.21 -0.47 0.38 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 18 K 7.96 3.97 0.00 1.35 0.87 0.00 1.32 0.00 0.00 1.17 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.23 7.81 19 N 7.99 4.97 0.00 2.64 2.79 0.00 0.00 6.79 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 20 E 7.77 4.68 0.00 2.03 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 0.00 2.21 2.34 0.00 21 K 8.30 4.34 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.46 7.81 22 V 7.51 4.35 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 0.96 0.00 0.00 0.96 0.00 0.00 23 N 8.84 4.99 0.00 2.97 2.92 0.00 0.00 6.70 7.95 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 24 W 8.57 5.62 0.00 3.45 2.95 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 25 V 8.79 4.33 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 0.70 0.00 0.00 0.82 0.00 0.00 26 V 8.81 4.46 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 0.95 0.00 0.00 1.14 0.00 0.00 27 T 8.33 4.60 4.35 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 1.24 0.00 0.00 28 G 8.71 3.43 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 0.00 29 S 8.37 3.87 0.00 4.12 4.11 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 0.00 0.00 0.00 30 L 7.58 3.81 0.00 1.70 1.63 0.90 0.91 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 S 7.67 3.98 0.00 3.83 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 32 F 7.81 4.25 0.00 3.04 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 33 A 8.05 4.32 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 34 L 8.04 3.98 0.00 1.71 1.73 0.90 0.81 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 35 Q 7.50 4.46 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.55 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 36 G 7.88 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.39 2.66 1.72 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 0.41 0.00 0.00 -0.30 0.00 0.00 38 P 0.00 4.76 0.00 2.22 2.09 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 39 V 7.26 4.46 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 0.71 0.00 0.00 0.98 0.00 0.00 40 E 8.54 4.00 0.00 2.16 1.83 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 2.29 1.86 0.00 41 V 8.22 4.29 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 0.50 0.00 0.00 0.72 0.00 0.00 42 H 8.57 4.93 0.00 3.29 3.34 0.00 5.13 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.52 5.02 0.00 2.41 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 44 I 8.59 4.59 1.85 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 1.37 0.83 0.92 0.00 0.00 45 D 8.70 5.36 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.96 4.95 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.48 1.10 0.00 0.00 47 Q 9.05 4.75 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.45 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 48 T 8.33 5.29 4.37 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 1.26 0.00 0.00 49 D 8.53 5.18 0.00 3.03 2.86 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 50 E 8.56 3.92 0.00 2.07 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 2.42 2.07 0.00 51 E 8.36 4.26 0.00 2.20 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 2.40 1.95 0.00 52 G 8.93 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 53 A 7.97 3.96 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 54 Y 7.58 3.98 0.00 3.20 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 55 E 8.51 4.03 0.00 2.25 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 2.39 2.54 0.00 56 I 8.28 3.80 2.02 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 0.73 0.92 0.00 0.00 57 E 8.24 3.95 0.00 2.00 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 0.00 2.34 2.34 0.00 58 R 7.75 3.92 0.00 1.90 2.13 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 59 I 7.91 3.73 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.23 0.00 0.00 60 F 8.35 5.07 0.00 3.19 3.21 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 61 S 8.49 4.36 0.00 3.98 4.31 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 62 E 7.93 3.93 0.00 1.77 1.85 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 1.47 1.54 0.00 63 F 8.16 4.76 0.00 3.27 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 64 V 7.51 4.19 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 0.80 0.00 0.00 1.03 0.00 0.00 65 S 8.79 4.64 0.00 3.87 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 66 K 7.59 4.44 0.00 1.63 1.41 0.00 1.40 0.00 0.00 0.82 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.29 7.81 67 K 8.68 4.38 0.00 1.66 1.74 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.56 1.42 7.81 68 V 8.37 3.67 1.70 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 -0.14 0.00 0.00 0.73 0.00 0.00 69 R 8.66 4.91 0.00 1.96 1.71 0.00 3.19 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 70 F 9.01 4.49 0.00 2.96 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 71 S 8.15 4.59 0.00 3.87 3.51 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 72 S 8.52 4.92 0.00 4.06 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 4.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 74 E 8.83 4.12 0.00 1.97 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 0.00 2.32 2.27 0.00 75 K 8.16 4.46 0.00 1.84 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.36 7.81 76 I 7.55 5.55 1.84 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 0.88 0.83 0.00 0.00 77 C 8.62 4.98 0.00 2.22 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 0.00 0.00 0.00 0.00 78 S 7.67 4.86 0.00 4.01 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 79 H 9.36 5.00 0.00 3.07 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.18 5.26 0.00 2.91 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 81 G 8.91 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 82 E 8.97 5.15 0.00 1.75 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 2.15 2.49 0.00 83 L 8.97 5.26 0.00 1.42 1.59 0.38 0.67 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 84 I 8.80 4.96 1.90 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 1.21 0.60 0.91 0.00 0.00 85 I 8.49 4.20 1.56 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.33 0.44 0.00 0.00 86 D 9.86 4.37 0.00 2.66 2.64 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 87 G 8.26 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.38 4.27 1.77 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.45 0.71 0.00 0.00 89 K 8.47 4.57 0.00 1.90 1.92 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.44 7.81 90 V 8.91 4.69 1.89 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 0.83 0.00 0.00 0.74 0.00 0.00 91 E 9.36 4.84 0.00 2.03 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 0.00 2.30 2.46 0.00 92 I 8.20 4.92 1.81 0.00 0.00 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 1.02 1.30 0.87 0.00 0.00 *94 G 8.28 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 95 D 8.71 4.53 0.00 2.90 2.82 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 96 I 7.58 4.16 1.92 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 1.35 0.68 0.98 0.00 0.00 97 R 8.94 4.82 0.00 1.63 1.98 0.00 3.63 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 1.63 1.66 0.00 98 K 9.34 4.96 0.00 1.88 1.79 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.58 7.81 99 R 8.95 4.03 0.00 1.44 1.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 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108 P 0.00 4.34 0.00 2.11 2.18 0.00 3.99 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 2.07 2.01 0.00 109 V 8.26 3.94 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 0.80 0.00 0.00 1.07 0.00 0.00 110 D 8.67 4.63 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.04 0.00 1.73 1.68 0.98 0.67 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 0.00 112 N 8.23 4.37 0.00 2.86 2.87 0.00 0.00 6.78 7.68 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 0.00 113 K 7.86 3.86 0.00 1.67 1.46 0.00 1.58 0.00 0.00 1.38 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 1.06 7.81 114 Y 7.36 4.66 0.00 2.68 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 0.00 115 K 7.57 4.45 0.00 1.91 1.55 0.00 1.75 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.58 1.02 7.81 116 R 8.86 4.72 0.00 1.54 1.73 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0.00 0.00 0.00 2.52 2.57 0.00 134 Y 8.13 3.93 0.00 2.93 3.11 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 0.00 0.00 0.00 135 Q 7.98 3.61 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 136 A 7.70 3.82 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 0.00 137 Y 8.56 4.07 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.70 3.92 0.00 1.62 1.55 0.55 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.58 3.92 0.00 1.85 1.83 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 140 L 7.68 4.26 0.00 1.66 1.61 0.87 1.00 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 0.00 141 G 7.70 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.73 4.23 0.00 1.70 1.67 0.00 2.21 0.00 0.00 2.33 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 143 V 7.37 3.58 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 1.13 0.00 0.00 0.91 0.00 0.00 144 E 8.10 4.12 0.00 2.05 1.94 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 2.40 2.36 0.00 145 K 8.10 4.05 0.00 2.06 2.23 0.00 1.69 0.00 0.00 2.03 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.58 7.81 146 A 8.40 4.16 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 0.00 147 E 8.78 4.03 0.00 2.20 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 2.66 0.00 148 T 8.33 3.88 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 1.19 0.00 0.00 149 L 7.77 3.82 0.00 1.80 1.53 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.20 3.54 0.00 1.64 2.03 0.00 2.21 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 151 K 8.29 3.86 0.00 1.94 2.01 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.45 7.81 152 W 7.98 4.06 0.00 3.35 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.56 3.99 0.00 1.74 1.64 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.72 4.27 0.00 2.78 2.79 0.00 0.00 7.07 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.06 4.03 0.00 1.93 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 2.27 2.37 0.00 156 R 6.81 4.25 0.00 1.30 1.53 0.00 2.21 0.00 0.00 2.53 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.65 0.00 157 K 7.40 4.03 0.00 1.64 1.60 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.