NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.3552 8.0544 120.2496 61.9132 32.7453 176.0398 2 H 4.3354 7.6080 120.7234 54.7585 30.2853 170.9027 3 W 4.7744 8.0797 127.5716 55.5994 31.1803 176.9743 4 T 4.3768 8.8814 114.3383 60.5739 71.0666 175.6945 5 A 3.9963 8.4928 123.8991 55.5139 18.3208 179.9490 6 E 3.9262 8.1427 116.3660 59.6065 29.5475 179.1709 7 E 3.9737 8.1540 118.3651 59.5778 29.5614 179.4071 8 K 3.5955 8.1536 118.3206 59.5849 32.0478 178.9933 9 Q 3.9179 8.1386 119.4672 59.3483 28.7261 178.2279 10 L 4.1003 8.3159 120.2594 57.9267 41.6362 179.8665 11 I 3.6497 8.0134 119.9479 64.5692 37.1413 178.4350 12 T 4.0512 8.1420 116.8122 66.6793 68.1323 176.5512 13 G 3.8161 8.2325 106.4564 48.1308 0.0000 174.9370 14 L 3.9522 7.8155 122.9978 57.1716 42.0248 178.5891 15 W 4.6524 8.8253 128.5773 60.8309 30.4360 178.0688 16 G 3.7367 8.0846 103.8462 46.8864 0.0000 174.0108 17 K 4.4454 7.6283 117.8961 55.9547 32.7805 176.5277 18 V 3.7346 7.5449 120.6644 62.5184 31.9485 176.5134 19 N 4.4922 8.2624 125.6513 51.5172 37.6275 175.2598 20 V 3.4646 7.8600 125.3411 65.8096 31.8055 177.0805 21 A 3.9531 7.8785 119.5798 55.0705 18.1753 179.0856 22 E 3.8733 8.3160 117.7164 59.5556 29.7515 178.7784 23 C 4.1147 8.3837 117.3014 62.5475 28.1406 176.2435 24 G 3.6437 8.3494 107.3840 47.8607 0.0000 175.6404 25 A 4.0424 7.8553 122.8757 54.8233 18.2654 179.6597 26 E 3.8854 7.9585 116.9016 59.2827 29.4578 179.1939 27 A 3.9201 8.3394 121.2830 55.1574 18.5383 179.3275 28 L 3.8537 7.9930 118.1938 58.1265 42.2564 179.1146 29 A 3.9119 8.0731 120.5613 55.3883 18.4001 179.8195 30 R 3.7932 8.1985 116.8462 59.0659 29.9889 178.8993 31 L 3.8877 8.0513 120.2479 58.4543 41.8322 179.2560 32 L 3.9362 7.8801 118.5418 57.3263 41.2487 178.9838 33 I 3.9465 7.2477 117.2275 62.8673 38.3104 177.3772 34 V 3.6743 7.8995 118.5536 63.8066 32.8089 175.5490 35 Y 4.2088 7.3336 116.1451 53.7431 38.1588 173.5721 36 P 4.4039 0.0000 0.0000 64.5239 31.6310 177.5588 37 W 4.6059 8.3431 114.9202 59.7578 27.8841 177.9455 38 T 4.3210 7.7047 110.1493 64.1870 68.1858 176.4807 39 Q 4.2598 8.6030 122.3165 58.7992 28.4616 178.4816 40 R 4.0195 7.7344 116.3156 58.7257 29.3838 178.1024 41 F 4.2429 7.9968 116.4131 57.9226 39.4758 175.8435 42 F 4.5652 8.1711 118.5822 56.6604 39.9680 177.5054 43 A 4.0855 8.2592 126.4611 55.3968 18.3319 180.3632 44 S 4.5158 8.1082 106.8936 59.7438 62.9809 174.7883 45 F 4.6552 8.3889 120.1898 58.4303 40.5488 175.7336 46 G 4.0471 7.8901 105.2728 44.1093 0.0000 176.3864 47 N 4.7153 8.9551 125.0244 52.6309 38.8958 174.1582 48 L 4.9184 8.1606 128.4280 54.3749 43.0451 177.6455 49 S 4.4243 8.3655 114.6121 60.1234 64.0288 174.2842 50 S 4.6891 7.5631 115.1445 55.1562 66.9757 172.8356 51 P 4.3194 0.0000 0.0000 66.2981 30.8112 178.8857 52 T 3.7845 7.8289 114.7598 66.5456 68.5402 176.2754 53 A 4.0173 8.1194 122.6697 55.2148 18.1450 179.8074 54 I 3.6845 7.9619 117.7677 64.5809 37.2959 178.3651 55 L 4.2062 8.1991 119.1873 57.5204 41.5326 179.2672 56 G 3.9021 8.0336 103.8111 44.8416 0.0000 173.3854 57 N 4.3139 7.6740 120.8705 53.2663 39.4342 173.4072 58 P 4.2126 0.0000 0.0000 66.2182 31.3367 178.5169 59 M 3.7642 8.3371 117.3954 57.7254 31.7028 179.0178 60 V 3.6982 7.7813 118.0889 66.1271 31.7430 177.9193 61 R 3.8770 7.8846 117.5015 59.4995 30.0420 179.0331 62 A 4.0400 8.1504 120.1542 54.8763 18.2845 179.2925 63 H 4.5031 8.4923 117.6652 59.3816 30.0120 177.3883 64 G 3.7788 8.6164 107.9541 47.9930 0.0000 175.3696 65 K 3.9924 7.9053 121.8132 59.2407 32.1499 179.0860 66 K 4.0704 7.7046 117.4749 59.2454 31.8147 179.5220 67 V 3.6663 7.9101 118.5574 66.2458 31.5982 178.2448 68 L 4.4905 8.3827 118.7521 58.1114 41.1905 179.6256 69 T 4.1595 8.0102 115.3503 66.7502 68.6828 176.2525 70 S 4.7838 8.0366 116.0792 60.8965 62.3786 175.9550 71 F 4.1898 8.3422 120.6280 60.7310 38.1707 177.9001 72 G 3.1763 8.1514 105.0288 47.6674 0.0000 175.5043 73 D 4.3754 8.5989 121.2407 57.0066 40.7381 178.6499 74 A 4.0647 7.8124 121.1416 55.0106 18.2883 179.6170 75 V 3.2309 7.4119 116.1892 64.7055 31.3830 177.3821 76 K 4.6178 7.3105 118.1264 56.9655 32.7646 177.0653 77 N 4.9875 7.9068 113.1728 53.3629 40.3034 180.5407 78 L 3.7251 7.3986 120.3020 58.8840 41.7697 178.2493 79 D 4.7179 7.8787 115.7489 55.6389 41.2893 175.6826 80 N 5.1269 9.1617 119.3476 52.6493 39.7659 176.4161 81 I 3.8776 8.1851 122.7957 64.8956 37.3589 178.1128 82 K 3.9011 8.1052 122.6613 60.3224 31.6409 179.8531 83 N 4.6944 8.2171 117.1693 56.5472 38.2647 177.5606 84 T 4.0282 7.5827 115.8254 65.7594 68.1649 175.7765 85 F 4.5785 8.2551 117.8814 57.0792 39.3318 177.6580 86 S 4.0585 7.8193 117.3196 62.4797 62.6840 176.9378 87 Q 4.0234 8.0607 124.5871 59.6923 27.8185 180.8873 88 L 4.2589 7.3877 121.4053 57.2859 41.4662 179.7544 89 S 4.2385 7.9867 114.6407 60.9115 62.3588 175.7089 90 E 3.9632 8.2480 120.7719 59.4863 29.1466 178.9073 91 L 3.9191 7.9361 119.8555 58.8469 42.2024 178.9116 92 H 4.2595 8.5296 115.9832 58.6664 28.2957 177.2980 93 C 4.3226 8.6248 118.9050 62.6231 28.2238 175.5709 94 D 4.4554 8.4624 122.7365 57.8614 41.0910 178.9794 95 K 4.1096 8.0436 120.3150 57.2261 31.9886 180.0964 96 L 4.4915 8.0672 117.9228 54.1067 42.7305 176.2310 97 H 4.2103 7.6235 114.0746 56.6722 26.4966 175.2740 98 V 3.6597 8.4130 119.9386 61.8953 31.7692 175.0881 99 D 4.3104 8.5573 127.3799 53.6694 41.8539 175.1491 100 P 3.4306 0.0000 0.0000 65.4590 31.3749 178.2862 101 E 3.9456 8.3963 118.0758 59.3721 29.3850 178.7291 102 N 4.4188 7.9935 116.6521 55.9296 38.5210 177.3268 103 F 4.5353 7.5888 119.4097 60.8103 39.0682 177.6519 104 R 4.0459 8.1467 117.7495 59.4565 30.0363 178.3398 105 L 4.0588 7.8532 118.6065 57.6462 41.4963 179.2682 106 L 4.2272 8.3288 120.5892 57.9776 42.0764 179.1715 107 G 3.7767 8.3304 105.8139 48.0452 0.0000 175.2892 108 D 4.5052 8.3641 121.5328 57.2167 40.7957 179.0961 109 I 3.7367 7.8061 119.7877 64.2326 37.0322 178.0844 110 L 3.8315 8.3160 121.6074 58.2728 41.8203 179.0946 111 I 3.6578 7.8929 119.5592 64.6090 37.1965 178.5656 112 I 3.7521 7.6544 120.3350 63.9529 36.7913 178.8391 113 V 3.4248 7.7368 119.4611 66.0007 31.2922 178.0238 114 L 3.7686 7.7467 118.6943 57.7016 41.2810 179.5146 115 A 3.6326 7.3651 120.3985 54.8097 18.0947 179.4012 116 A 4.0451 7.6595 117.5244 54.5143 18.6073 178.5153 117 H 4.3862 7.6024 112.3715 55.9939 29.7059 175.5240 118 F 4.7758 7.7648 117.2836 55.9414 42.0154 176.5160 119 S 3.6018 7.9270 118.1619 58.8562 62.7680 175.4700 120 K 3.8926 9.0292 126.1094 60.8131 31.6325 177.5927 121 D 4.5240 8.1933 117.4890 56.6258 40.9491 176.9533 122 F 4.6047 8.5072 123.3347 56.9899 37.8500 175.5731 123 T 4.1748 7.5309 115.9437 60.1466 71.2208 173.4620 124 P 4.1848 0.0000 0.0000 65.9076 31.3394 178.8808 125 E 3.9421 8.0071 116.9741 59.2859 29.4391 178.7541 126 C 4.0848 7.6163 118.7626 62.3415 31.6599 175.2478 127 Q 3.4597 8.0559 121.1925 59.1185 28.4839 178.1660 128 A 4.0718 8.1141 121.5095 55.2417 18.4329 179.5199 129 A 4.0583 8.0353 119.0811 55.0576 18.4037 180.0044 130 W 3.8246 8.5308 117.6269 59.8742 29.2476 178.6087 131 Q 4.1977 8.9306 119.9425 58.9124 28.3342 178.4826 132 K 3.9270 8.0290 120.7661 59.2588 32.2473 178.4205 133 L 4.1874 7.9121 120.5494 58.3493 41.9651 179.0259 134 V 3.8257 8.3450 118.4388 66.2021 31.4854 177.8822 135 R 3.9440 8.0494 118.3047 59.5254 29.9087 178.6758 136 V 3.5297 8.0605 118.1586 65.9776 31.5937 178.2393 137 V 3.0994 8.0457 118.0000 65.5671 31.1146 177.9281 138 A 3.9027 8.0935 120.7850 55.3383 18.0133 179.1074 139 H 4.1517 8.0917 115.6627 59.0890 29.9857 177.0933 140 A 4.1593 7.6817 122.1481 54.7442 18.4921 179.0923 141 L 4.0674 7.8376 116.7792 56.1342 41.8344 177.4301 142 A 4.8033 7.5098 123.6499 52.6672 19.9016 178.6799 143 R 4.1335 7.8981 125.0536 59.6544 30.3008 181.0136 144 K 4.5350 8.2425 118.2493 55.9810 31.6244 181.9065 *145 Y 4.5203 7.7722 120.2240 58.3852 38.7688 180.3241 *146 H 4.2780 7.5736 118.8169 55.9439 30.3051 178.9057 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 V 8.05 3.36 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 0.79 0.00 0.00 0.92 0.00 0.00 2 H 7.61 4.34 0.00 3.08 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.08 4.77 0.00 3.19 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 4 T 8.88 4.38 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 1.27 0.00 0.00 5 A 8.49 4.00 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 6 E 8.14 3.93 0.00 2.09 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 2.41 2.48 0.00 7 E 8.15 3.97 0.00 2.42 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 0.00 2.43 2.43 0.00 8 K 8.15 3.60 0.00 1.88 1.74 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.68 7.81 9 Q 8.14 3.92 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 10 L 8.32 4.10 0.00 2.01 1.78 0.96 0.77 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 11 I 8.01 3.65 1.62 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.58 0.20 0.00 0.00 12 T 8.14 4.05 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 1.26 0.00 0.00 13 G 8.23 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 7.82 3.95 0.00 2.19 1.82 0.71 -0.71 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 15 W 8.83 4.65 0.00 3.87 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.08 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 17 K 7.63 4.45 0.00 2.13 2.04 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 18 V 7.54 3.73 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 0.39 0.00 0.00 0.99 0.00 0.00 19 N 8.26 4.49 0.00 2.67 2.59 0.00 0.00 6.79 7.71 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 20 V 7.86 3.46 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 1.17 0.00 0.00 0.78 0.00 0.00 21 A 7.88 3.95 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 22 E 8.32 3.87 0.00 2.25 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 2.25 2.36 0.00 23 C 8.38 4.11 0.00 2.95 2.79 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 24 G 8.35 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 0.00 0.00 0.00 25 A 7.86 4.04 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 26 E 7.96 3.89 0.00 2.13 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 2.30 2.45 0.00 27 A 8.34 3.92 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 28 L 7.99 3.85 0.00 1.88 1.65 0.62 1.31 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 29 A 8.07 3.91 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 30 R 8.20 3.79 0.00 1.99 1.90 0.00 3.08 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 31 L 8.05 3.89 0.00 1.80 1.90 1.10 0.76 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 32 L 7.88 3.94 0.00 1.83 1.70 0.80 0.84 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 33 I 7.25 3.95 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.94 0.00 0.00 34 V 7.90 3.67 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 0.16 0.00 0.00 0.72 0.00 0.00 35 Y 7.33 4.21 0.00 2.56 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 36 P 0.00 4.40 0.00 2.25 2.16 0.00 3.87 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 2.15 2.12 0.00 37 W 8.34 4.61 0.00 3.61 3.58 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 0.00 0.00 0.00 0.00 38 T 7.70 4.32 4.36 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 1.10 0.00 0.00 39 Q 8.60 4.26 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 40 R 7.73 4.02 0.00 1.83 2.07 0.00 3.01 0.00 0.00 3.01 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.01 0.00 41 F 8.00 4.24 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.17 4.57 0.00 2.83 2.20 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 43 A 8.26 4.09 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 44 S 8.11 4.52 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 45 F 8.39 4.66 0.00 3.24 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.89 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 47 N 8.96 4.72 0.00 2.72 2.77 0.00 0.00 6.60 7.78 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 48 L 8.16 4.92 0.00 1.66 1.62 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.37 4.42 0.00 3.99 4.01 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 50 S 7.56 4.69 0.00 4.01 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 51 P 0.00 4.32 0.00 2.26 2.33 0.00 3.69 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 2.06 2.04 0.00 52 T 7.83 3.78 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 1.20 0.00 0.00 53 A 8.12 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.96 3.68 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 1.54 0.78 0.90 0.00 0.00 55 L 8.20 4.21 0.00 1.86 1.71 0.89 0.84 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 56 G 8.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.67 4.31 0.00 2.97 2.88 0.00 0.00 7.01 7.70 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 58 P 0.00 4.21 0.00 2.12 2.04 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 59 M 8.34 3.76 0.00 0.51 1.64 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 2.37 2.18 0.00 60 V 7.78 3.70 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 0.89 0.00 0.00 1.08 0.00 0.00 61 R 7.88 3.88 0.00 2.02 1.95 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 62 A 8.15 4.04 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 63 H 8.49 4.50 0.00 3.52 3.59 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.62 3.78 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 0.00 0.00 0.00 65 K 7.91 3.99 0.00 1.80 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 66 K 7.70 4.07 0.00 2.17 1.91 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 V 7.91 3.67 2.35 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 1.30 0.00 0.00 0.96 0.00 0.00 68 L 8.38 4.49 0.00 2.02 1.96 0.99 1.15 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 69 T 8.01 4.16 4.51 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 1.30 0.00 0.00 70 S 8.04 4.78 0.00 3.84 3.78 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 71 F 8.34 4.19 0.00 3.40 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 72 G 8.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.60 4.38 0.00 2.77 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 74 A 7.81 4.06 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 75 V 7.41 3.23 1.53 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 0.57 0.00 0.00 0.13 0.00 0.00 76 K 7.31 4.62 0.00 1.91 1.80 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.38 7.81 77 N 7.91 4.99 0.00 2.63 2.73 0.00 0.00 7.06 6.83 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 78 L 7.40 3.73 0.00 1.23 0.83 0.02 0.12 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 79 D 7.88 4.72 0.00 2.68 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 80 N 9.16 5.13 0.00 2.76 2.68 0.00 0.00 7.06 7.70 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 81 I 8.19 3.88 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.63 0.00 0.00 82 K 8.11 3.90 0.00 1.85 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.13 7.81 83 N 8.22 4.69 0.00 3.15 2.92 0.00 0.00 7.03 7.05 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 84 T 7.58 4.03 4.69 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 1.11 0.00 0.00 85 F 8.26 4.58 0.00 2.98 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 86 S 7.82 4.06 0.00 4.11 4.15 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 87 Q 8.06 4.02 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 88 L 7.39 4.26 0.00 1.98 1.78 0.57 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.99 4.24 0.00 4.01 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 90 E 8.25 3.96 0.00 2.24 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 2.56 0.00 91 L 7.94 3.92 0.00 1.76 1.84 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.53 4.26 0.00 3.45 3.72 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.62 4.32 0.00 3.14 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 94 D 8.46 4.46 0.00 2.79 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 95 K 8.04 4.11 0.00 1.77 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.03 7.81 96 L 8.07 4.49 0.00 1.87 1.86 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.62 4.21 0.00 3.42 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.41 3.66 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 0.19 0.00 0.00 0.69 0.00 0.00 99 D 8.56 4.31 0.00 2.68 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 0.00 100 P 0.00 3.43 0.00 2.16 2.18 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 101 E 8.40 3.95 0.00 2.05 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 2.25 2.38 0.00 102 N 7.99 4.42 0.00 2.68 2.79 0.00 0.00 6.90 7.73 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 0.00 103 F 7.59 4.54 0.00 3.22 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 0.00 104 R 8.15 4.05 0.00 1.95 1.99 0.00 3.24 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 105 L 7.85 4.06 0.00 1.95 1.60 0.62 0.04 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 0.00 106 L 8.33 4.23 0.00 1.94 2.04 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.33 3.78 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 0.00 0.00 0.00 108 D 8.36 4.51 0.00 3.08 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 0.00 109 I 7.81 3.74 2.09 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 1.40 0.69 0.95 0.00 0.00 110 L 8.32 3.83 0.00 1.60 1.79 0.72 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.89 3.66 2.15 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.10 1.18 0.00 0.00 112 I 7.65 3.75 1.97 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 1.44 1.19 0.89 0.00 0.00 113 V 7.74 3.42 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 0.72 0.00 0.00 0.83 0.00 0.00 114 L 7.75 3.77 0.00 0.89 0.89 -0.26 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.37 3.63 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 0.00 116 A 7.66 4.05 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 0.00 117 H 7.60 4.39 0.00 2.76 2.77 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.76 4.78 0.00 3.04 3.02 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 0.00 119 S 7.93 3.60 0.00 4.03 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 0.00 120 K 9.03 3.89 0.00 1.79 1.95 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.47 7.81 121 D 8.19 4.52 0.00 3.09 2.85 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 0.00 122 F 8.51 4.60 0.00 2.93 3.13 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 0.00 123 T 7.53 4.17 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 1.26 0.00 0.00 124 P 0.00 4.18 0.00 2.15 2.13 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 125 E 8.01 3.94 0.00 2.02 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 2.41 0.00 126 C 7.62 4.08 0.00 2.83 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 0.00 127 Q 8.06 3.46 0.00 1.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 128 A 8.11 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.04 4.06 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 0.00 130 W 8.53 3.82 0.00 3.65 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 0.00 131 Q 8.93 4.20 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 132 K 8.03 3.93 0.00 1.90 2.10 0.00 1.42 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.22 1.23 7.81 133 L 7.91 4.19 0.00 1.62 1.74 0.64 0.12 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 0.00 134 V 8.35 3.83 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 1.06 0.00 0.00 1.14 0.00 0.00 135 R 8.05 3.94 0.00 2.05 2.18 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 136 V 8.06 3.53 2.32 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 0.94 0.00 0.00 0.93 0.00 0.00 137 V 8.05 3.10 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 -0.07 0.00 0.00 0.62 0.00 0.00 138 A 8.09 3.90 1.51 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 0.00 0.00 139 H 8.09 4.15 0.00 3.19 3.53 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.68 4.16 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 0.00 141 L 7.84 4.07 0.00 1.35 0.92 0.28 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.51 4.80 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 0.00 143 R 7.90 4.13 0.00 1.70 1.94 0.00 3.26 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 144 K 8.24 4.54 0.00 1.77 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.00 7.81 *145 Y 7.77 4.52 0.00 2.30 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 0.00 0.00 0.00 0.00 *146 H 7.57 4.28 0.00 2.92 2.83 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.