NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.6522 8.0748 114.6393 61.8983 68.4186 174.0902 4 R 3.9210 8.6158 127.0721 57.5418 30.4437 175.3150 5 L 4.5564 8.4469 120.4624 52.8538 46.1552 176.7681 6 E 4.3448 8.7034 128.2622 54.9863 26.2723 177.1199 7 W 4.3442 8.2102 120.1514 59.4889 28.4449 178.3593 8 A 3.3785 6.5780 120.3497 54.5541 17.7899 179.2700 9 K 3.9370 7.5946 115.5313 59.4179 32.2638 179.0277 10 A 4.4348 8.1840 120.5990 53.6845 19.1466 177.3685 11 S 4.4887 8.4679 113.2373 54.9830 63.5770 172.3176 12 P 4.4694 0.0000 0.0000 65.3526 31.1406 178.1071 13 D 4.4134 8.1721 117.3590 57.0413 40.5886 178.3099 14 A 4.0709 7.8739 120.3248 55.4045 18.5707 178.5636 15 Y 4.3383 7.8282 115.8359 61.0751 39.2461 178.0755 16 A 3.9592 8.2397 121.2780 54.8066 18.3761 179.4688 17 A 3.9234 7.8425 115.4034 53.2572 18.0336 178.8412 *19 L 4.3971 7.9648 124.2833 56.2174 44.0107 179.2633 20 G 3.6865 7.7573 104.8214 47.2647 0.0000 175.8441 21 L 4.0695 7.5892 120.1680 57.8694 41.6942 179.2344 22 E 4.1853 8.3667 118.0975 59.2354 29.2087 179.4483 23 K 3.9799 7.9698 117.6905 59.4047 32.1486 178.6783 24 A 4.1709 7.9936 121.3022 55.1744 18.4238 179.4100 25 L 4.1244 7.9818 116.8093 58.0474 40.6830 178.9668 26 A 4.0427 8.0147 121.1328 54.4902 18.3216 178.7300 27 K 4.2719 7.4548 114.3501 56.1655 32.9318 177.0844 28 A 4.4614 6.4461 121.3315 50.9453 19.0308 177.9441 29 G 3.6795 8.9114 108.9367 48.0886 0.0000 174.7969 30 L 3.9615 7.8947 121.5402 55.1451 42.6880 177.1513 31 E 4.0172 8.9386 124.8195 56.9181 30.9939 178.2228 32 R 3.8746 8.6012 123.0552 59.1322 30.1815 177.0542 33 P 4.2646 0.0000 0.0000 65.3692 31.3792 178.2400 34 L 4.0020 7.9386 118.7872 58.3318 41.9982 179.0273 35 I 3.8421 7.6166 119.2728 64.3300 36.9098 178.2899 36 E 4.0229 8.3448 119.5435 59.0495 29.1702 179.4238 37 L 3.9945 7.7507 119.5056 57.6408 41.7339 179.4126 38 V 3.5689 7.8232 118.1854 66.3489 31.5534 177.6712 39 Y 3.9262 8.6052 116.6944 60.9883 37.7055 178.4599 40 L 4.0199 8.3282 121.5149 58.1506 42.2705 178.8932 41 R 4.2075 8.3212 120.4552 59.2467 30.0217 178.6173 42 T 3.8739 8.0051 115.4926 66.8109 68.4381 176.8734 43 S 4.2593 8.0483 116.8200 61.4893 62.2894 176.6746 44 Q 4.0164 8.2590 120.7645 59.1158 28.3223 178.8157 45 I 3.7568 7.5765 119.1946 64.6883 37.3759 177.9533 46 N 4.5908 8.6057 114.7195 53.3367 38.6036 175.3314 47 G 3.7274 7.6523 108.0837 46.7414 0.0000 173.9050 48 C 4.4538 8.0798 121.5908 57.3568 31.2591 173.7379 49 A 4.0539 8.5215 130.6021 54.9645 17.7954 178.2631 50 Y 3.9753 8.0138 117.0289 61.3244 39.0995 177.7649 51 C 4.3138 8.1979 115.6761 62.4126 28.5656 175.7822 52 V 3.8340 8.0517 120.1570 65.9577 31.1209 178.7083 53 N 4.4871 7.8282 113.5287 54.8133 38.5656 175.8492 *55 H 4.6167 8.2369 117.7965 55.2569 31.1895 175.5782 56 A 4.0061 8.3675 121.4738 55.2397 18.1629 179.2803 57 N 4.2312 8.0737 114.9468 56.6422 38.6089 177.4696 58 D 4.2612 7.9534 119.3585 57.1566 40.8381 178.2261 59 A 3.9590 8.0156 120.4256 55.4101 18.5970 179.1715 60 R 4.2313 8.0570 118.3636 58.9102 29.8382 178.5813 61 K 3.9195 7.9542 118.0950 59.2887 32.3419 177.9473 62 A 4.2530 7.9834 117.8476 51.4821 19.3917 177.1595 63 G 3.8385 8.3270 106.7372 51.0100 0.0000 173.7739 64 E 3.4700 6.6533 116.7906 52.8953 32.3304 175.4006 65 T 4.7309 8.1254 118.1418 59.8866 70.4696 174.1026 66 E 3.9496 8.9439 128.7445 59.6394 29.5092 178.9322 67 Q 3.7621 7.9207 118.9356 59.3804 28.9663 178.6445 68 R 3.9164 7.6700 118.2667 58.8182 30.0188 178.7746 69 L 4.1328 7.8410 118.6164 57.7252 41.7134 179.0971 70 Q 4.2042 8.3543 116.4337 58.2857 29.1506 177.2460 71 A 4.5768 7.9639 121.0840 52.6213 19.0898 178.5325 72 L 4.0559 7.8458 119.0084 58.5644 42.2382 178.7027 73 C 4.5987 8.2999 111.8400 60.1597 29.4880 173.9469 74 V 4.5063 7.8467 116.0761 60.3510 32.5454 177.8570 75 W 4.5826 8.4775 119.3889 59.7163 28.3276 177.9098 76 Q 3.0462 6.9846 117.0252 58.3539 27.9466 177.8333 77 E 4.5566 7.4003 114.5171 56.4416 29.9592 175.8487 78 T 4.4850 7.6347 108.1310 59.4685 71.2943 171.6139 79 P 4.7870 0.0000 0.0000 62.9630 31.5369 175.7919 80 Y 4.5033 7.1735 116.1881 59.4791 38.2480 175.6360 81 F 5.1916 7.8053 117.9612 55.2176 42.2639 175.6620 82 T 4.2721 9.3438 114.8286 60.8988 70.8808 173.9415 83 P 4.2225 0.0000 0.0000 65.9019 31.3243 179.0092 84 R 3.6058 7.8192 116.9752 59.2637 30.0279 178.2440 85 E 4.0114 8.3119 118.4460 59.3928 29.3822 179.4998 86 R 3.4344 8.2877 118.0830 59.0483 30.2755 178.9080 87 A 4.0338 7.8955 120.0448 55.3090 18.4417 179.6157 88 A 3.9064 8.1157 119.0530 55.1610 18.3105 179.8181 89 L 3.6687 7.7477 117.5012 57.1671 41.4654 179.3258 90 A 4.3362 8.1039 121.1732 54.9899 18.3360 179.2291 91 W 4.2994 8.1366 126.3044 61.1150 30.6641 178.0061 92 T 3.7945 8.0556 115.3393 66.8096 67.8232 176.1040 93 E 3.9969 8.5119 120.5056 59.8075 29.3614 179.7265 94 Q 3.9488 7.9488 116.3211 59.0402 28.8721 178.5880 95 L 3.8680 7.6474 118.6493 57.1463 41.5952 178.8778 96 A 4.1263 7.8400 120.5226 55.0217 18.5504 179.4346 97 R 4.4233 7.4809 115.4347 56.2398 31.4937 178.6833 98 L 3.8564 7.9380 123.9992 58.0566 42.1938 178.7116 99 S 4.3310 7.8953 111.1260 60.0084 63.2542 174.4921 100 Q 4.2131 8.8506 119.4469 55.6982 28.7942 175.7492 101 G 4.0578 6.6452 104.1054 43.4721 0.0000 172.4680 102 A 4.1947 7.9033 123.3595 51.7694 18.9810 176.6098 103 L 4.6331 7.8560 119.4173 53.0235 42.6152 174.9493 104 P 4.2846 0.0000 0.0000 62.8810 31.7839 177.4064 105 H 4.3040 8.8132 120.6070 58.6555 29.0941 177.7195 106 G 3.7928 8.2084 105.7928 47.0694 0.0000 175.1316 107 L 4.0767 8.0972 123.0119 58.4390 42.1230 178.7425 108 L 3.6669 8.2058 119.5073 58.2801 41.7923 178.4106 109 D 4.3985 8.1034 117.3596 57.4889 40.9344 178.2392 110 E 4.1788 8.3717 119.4239 59.2094 29.4786 179.2207 111 L 4.2536 7.9033 119.4164 58.3918 40.4752 179.1640 112 R 4.5047 7.5056 118.9330 57.9969 29.9943 178.0636 113 E 4.1012 7.8782 117.7056 58.3290 29.5152 177.0564 114 H 4.5764 7.9860 113.7059 55.3737 31.5474 173.8219 115 F 5.0096 8.4830 117.6043 55.0334 42.0539 174.6855 116 D 4.9060 8.9222 124.4801 52.6875 41.8847 177.4920 117 D 4.3344 8.4608 118.8831 57.1494 40.8314 178.7311 118 K 3.8773 8.1366 119.7662 59.6622 32.1992 178.4499 119 E 4.1493 8.3599 118.3576 59.5570 29.3604 179.2578 120 I 3.3646 7.7248 119.5737 64.4263 37.0952 178.3777 121 A 4.0232 8.0329 121.4155 54.9830 18.1451 179.6518 122 E 3.9192 8.0205 117.0678 59.2828 29.5799 178.8538 123 L 4.0246 8.2493 120.7913 58.8190 41.9706 179.3774 124 T 4.1156 8.2247 115.5349 66.4199 68.3504 176.4451 125 L 3.9410 8.2507 122.2887 58.1196 41.9889 178.9688 126 A 4.1907 8.2775 120.7804 55.1948 18.3109 179.4311 127 V 3.4670 8.1560 117.1648 66.5256 31.4653 178.3829 128 S 4.0226 8.3051 114.4417 61.4045 62.6086 176.5072 129 A 3.9206 8.3443 123.7646 55.3772 18.2209 179.6025 130 I 3.5026 7.6459 117.1399 64.0938 37.4426 177.6185 131 N 4.2767 8.3912 117.5756 56.2266 38.4457 177.1574 132 A 3.8775 8.1669 122.2518 55.0936 18.5567 179.6669 133 W 4.4542 8.4269 117.7683 60.1706 29.1099 178.4832 134 N 4.5162 8.8594 116.8272 56.5036 37.9793 177.6919 135 R 3.8765 7.7303 118.8523 59.0097 29.8606 179.1347 136 F 3.8112 7.7224 116.4470 60.2489 38.9565 177.5835 137 G 3.9272 8.6251 104.2161 47.9395 0.0000 175.6369 138 V 3.9261 8.2656 120.2938 65.3647 31.7109 179.1023 139 G 3.5836 7.7153 104.5258 45.8283 0.0000 173.0441 *141 G 3.5823 8.0076 107.9655 44.9682 0.0000 172.7929 *143 Q 4.2236 8.4529 122.3152 55.0712 30.0713 173.5090 144 P 4.5908 0.0000 0.0000 63.1162 31.6310 175.9733 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 T 8.07 4.65 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 1.20 0.00 0.00 4 R 8.62 3.92 0.00 1.96 2.00 0.00 3.27 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 5 L 8.45 4.56 0.00 1.59 1.59 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.70 4.34 0.00 1.98 1.79 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 2.39 2.28 0.00 7 W 8.21 4.34 0.00 3.77 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 6.58 3.38 0.35 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 9 K 7.59 3.94 0.00 1.84 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.36 7.81 10 A 8.18 4.43 1.42 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 0.00 0.00 11 S 8.47 4.49 0.00 3.91 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 12 P 0.00 4.47 0.00 2.23 2.11 0.00 3.69 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 2.12 2.16 0.00 13 D 8.17 4.41 0.00 2.82 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 14 A 7.87 4.07 1.64 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 15 Y 7.83 4.34 0.00 2.56 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 16 A 8.24 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.84 3.92 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 *19 L 7.96 4.40 0.00 1.48 1.66 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.76 3.69 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 0.00 0.00 0.00 21 L 7.59 4.07 0.00 1.83 1.79 0.81 0.82 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 22 E 8.37 4.19 0.00 2.32 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 2.98 2.66 0.00 23 K 7.97 3.98 0.00 1.91 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.70 7.81 24 A 7.99 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 25 L 7.98 4.12 0.00 1.99 1.99 1.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.01 4.04 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 27 K 7.45 4.27 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.64 7.81 28 A 6.45 4.46 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 29 G 8.91 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 30 L 7.89 3.96 0.00 1.84 1.64 1.01 1.06 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 31 E 8.94 4.02 0.00 2.13 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 2.43 2.47 0.00 32 R 8.60 3.87 0.00 1.90 1.90 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 33 P 0.00 4.26 0.00 2.22 2.10 0.00 3.61 0.00 0.00 3.69 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 34 L 7.94 4.00 0.00 1.82 1.91 1.01 1.28 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 35 I 7.62 3.84 1.91 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 1.55 0.60 0.62 0.00 0.00 36 E 8.34 4.02 0.00 1.99 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 2.50 2.46 0.00 37 L 7.75 3.99 0.00 1.81 1.65 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.82 3.57 2.36 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 1.10 0.00 0.00 0.98 0.00 0.00 39 Y 8.61 3.93 0.00 3.07 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 40 L 8.33 4.02 0.00 1.87 1.80 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.32 4.21 0.00 1.98 1.92 0.00 3.57 0.00 0.00 3.59 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 42 T 8.01 3.87 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 1.15 0.00 0.00 43 S 8.05 4.26 0.00 4.12 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 44 Q 8.26 4.02 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 45 I 7.58 3.76 2.01 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 1.55 0.64 0.91 0.00 0.00 46 N 8.61 4.59 0.00 2.75 2.87 0.00 0.00 7.11 7.69 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 47 G 7.65 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 48 C 8.08 4.45 0.00 3.05 2.94 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 49 A 8.52 4.05 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 50 Y 8.01 3.98 0.00 3.02 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 51 C 8.20 4.31 0.00 3.11 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 52 V 8.05 3.83 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.06 0.00 0.00 53 N 7.83 4.49 0.00 2.86 2.77 0.00 0.00 7.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.24 4.62 0.00 3.42 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.37 4.01 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 57 N 8.07 4.23 0.00 2.74 2.83 0.00 0.00 7.09 8.21 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 58 D 7.95 4.26 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 59 A 8.02 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.06 4.23 0.00 1.97 2.09 0.00 3.13 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 61 K 7.95 3.92 0.00 1.95 1.98 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.57 7.81 62 A 7.98 4.25 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 63 G 8.33 3.84 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 0.00 0.00 0.00 64 E 6.65 3.47 0.00 2.14 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 0.00 2.40 2.43 0.00 65 T 8.13 4.73 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 1.11 0.00 0.00 66 E 8.94 3.95 0.00 1.97 1.97 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 2.38 2.30 0.00 67 Q 7.92 3.76 0.00 1.85 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 68 R 7.67 3.92 0.00 1.79 1.94 0.00 3.07 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.29 0.00 69 L 7.84 4.13 0.00 1.82 1.77 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.35 4.20 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 71 A 7.96 4.58 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 0.00 0.00 0.00 0.00 0.00 72 L 7.85 4.06 0.00 1.98 1.86 0.63 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.30 4.60 0.00 3.23 3.24 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 74 V 7.85 4.51 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 0.92 0.00 0.00 1.09 0.00 0.00 75 W 8.48 4.58 0.00 3.13 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 76 Q 6.98 3.05 0.00 1.52 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.59 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 77 E 7.40 4.56 0.00 1.90 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 0.00 2.15 2.30 0.00 78 T 7.63 4.48 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 1.48 0.00 0.00 79 P 0.00 4.79 0.00 2.07 2.02 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 80 Y 7.17 4.50 0.00 2.44 2.46 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 81 F 7.81 5.19 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 9.34 4.27 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 1.30 0.00 0.00 83 P 0.00 4.22 0.00 2.23 2.24 0.00 3.62 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 2.15 2.20 0.00 84 R 7.82 3.61 0.00 1.66 1.81 0.00 2.93 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.62 0.00 85 E 8.31 4.01 0.00 2.37 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 2.41 2.42 0.00 86 R 8.29 3.43 0.00 2.09 2.29 0.00 3.32 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 87 A 7.90 4.03 1.42 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 0.00 0.00 88 A 8.12 3.91 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 89 L 7.75 3.67 0.00 0.27 0.13 -0.33 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.10 4.34 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.14 4.30 0.00 3.49 3.23 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 92 T 8.06 3.79 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 1.21 0.00 0.00 93 E 8.51 4.00 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 2.60 3.06 0.00 94 Q 7.95 3.95 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 95 L 7.65 3.87 0.00 1.28 1.43 -0.09 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.84 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.48 4.42 0.00 1.77 1.90 0.00 3.13 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 98 L 7.94 3.86 0.00 1.80 1.58 0.78 0.75 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 99 S 7.90 4.33 0.00 3.98 3.93 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 0.00 0.00 0.00 100 Q 8.85 4.21 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 101 G 6.65 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.90 4.19 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 0.00 103 L 7.86 4.63 0.00 1.66 1.55 0.96 0.33 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 0.00 104 P 0.00 4.28 0.00 2.24 2.04 0.00 3.61 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 2.14 2.11 0.00 105 H 8.81 4.30 0.00 3.19 3.41 0.00 5.71 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 0.00 106 G 8.21 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 0.00 107 L 8.10 4.08 0.00 2.14 2.00 1.09 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.21 3.67 0.00 1.99 1.75 0.68 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.10 4.40 0.00 2.95 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 0.00 110 E 8.37 4.18 0.00 2.32 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 0.00 2.39 2.36 0.00 111 L 7.90 4.25 0.00 2.05 1.92 0.48 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.51 4.50 0.00 1.97 2.02 0.00 3.10 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 113 E 7.88 4.10 0.00 1.97 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 2.30 2.49 0.00 114 H 7.99 4.58 0.00 2.87 2.69 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.48 5.01 0.00 2.88 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 0.00 116 D 8.92 4.91 0.00 2.96 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 0.00 117 D 8.46 4.33 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.14 3.88 0.00 1.83 1.97 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 119 E 8.36 4.15 0.00 2.42 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 2.45 2.42 0.00 120 I 7.72 3.36 1.89 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 1.63 0.72 0.62 0.00 0.00 121 A 8.03 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.02 3.92 0.00 2.20 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 2.34 2.58 0.00 123 L 8.25 4.02 0.00 1.47 1.70 0.87 0.11 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 0.00 124 T 8.22 4.12 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 1.33 0.00 0.00 125 L 8.25 3.94 0.00 1.88 1.89 0.94 1.13 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 0.00 126 A 8.28 4.19 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.47 2.23 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 0.97 0.00 0.00 0.99 0.00 0.00 128 S 8.31 4.02 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.34 3.92 1.54 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 0.00 0.00 130 I 7.65 3.50 0.56 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 1.38 0.95 0.69 0.00 0.00 131 N 8.39 4.28 0.00 2.91 2.78 0.00 0.00 6.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.17 3.88 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 0.00 133 W 8.43 4.45 0.00 3.52 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 0.00 134 N 8.86 4.52 0.00 2.91 2.90 0.00 0.00 7.02 7.56 0.00 0.00 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 R 7.73 3.88 0.00 1.82 1.67 0.00 3.20 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 136 F 7.72 3.81 0.00 3.05 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.63 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.27 3.93 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 0.85 0.00 0.00 1.00 0.00 0.00 139 G 7.72 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 0.00 0.00 0.00 *141 G 8.01 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 0.00 0.00 0.00 *143 Q 8.45 4.22 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 144 P 0.00 4.59 0.00 2.18 2.01 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.