NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9835 8.1976 109.7388 45.3492 0.0000 175.8073 0 S 4.1508 9.2688 119.1565 61.2633 63.5386 174.5466 1 M 4.1402 8.6805 125.0493 57.6078 32.1009 179.6167 2 A 4.0216 8.0620 120.3728 55.0779 18.6671 179.2867 3 E 3.9331 8.2657 117.3741 59.6754 29.1808 179.7441 4 S 4.1863 8.6882 114.5404 61.4503 62.4067 176.1562 5 E 4.0940 8.3913 122.9736 58.9550 29.3443 178.5245 6 L 4.0510 8.2629 120.6168 58.5691 42.0976 178.9033 7 M 4.1066 8.2455 118.6413 58.4991 31.8615 178.2848 8 H 4.1292 8.5003 118.4691 59.3812 30.0273 177.2789 9 I 3.7393 8.0732 121.7515 64.7401 36.8945 177.8935 10 H 4.2031 8.5616 119.2207 59.2265 29.6216 177.2305 11 S 3.8367 8.2044 115.0785 61.2833 62.2328 175.9225 12 L 3.7380 7.7149 121.3514 57.8767 41.3558 179.5570 13 A 4.4571 8.4666 120.8018 55.2642 18.2570 179.5416 14 E 4.0153 8.5412 117.5470 60.0009 29.5759 179.3706 15 H 4.4183 8.3453 116.4746 58.9441 28.3809 177.2542 16 Y 4.1540 8.2061 121.3516 60.8708 38.7841 178.2439 17 L 3.8512 8.2028 119.8427 57.5425 41.6021 179.4241 18 Q 3.4602 8.1563 118.4200 58.9005 28.7503 178.1449 19 Y 3.8416 7.8050 120.4025 60.6897 38.5486 178.2998 20 V 3.1771 7.3254 117.8802 65.2661 31.5878 177.0308 21 L 4.3133 7.1860 114.9716 53.1163 42.1965 176.2187 22 Q 3.1617 7.2733 116.2999 56.6172 26.8519 174.3926 23 V 3.5564 7.6233 117.1378 61.6158 32.2149 173.6134 24 P 4.1821 0.0000 0.0000 62.4175 30.9411 176.2532 *31 S 4.2500 8.2458 118.3096 58.0000 65.3102 174.5713 32 Q 3.8948 8.3467 121.1377 59.0476 28.5277 178.6865 33 A 4.0984 7.9893 121.3408 55.3217 18.4640 179.2708 34 C 3.9687 8.0320 117.2233 63.5431 28.2139 177.1205 35 R 3.7988 7.9996 122.1466 61.6293 28.9892 181.1467 36 V 3.5938 7.8747 113.7586 63.7689 31.4104 178.3747 37 L 4.0345 8.2865 120.5412 58.4122 41.8514 178.9924 38 Q 4.0969 8.3466 118.1990 59.0022 28.5816 179.1015 39 R 3.9117 7.6823 119.3840 59.3714 30.1890 178.9872 40 V 3.7412 7.9665 118.8587 64.7824 31.5350 178.1894 41 A 4.0286 8.3916 122.0226 54.8143 18.0451 179.4185 42 F 4.6503 9.0167 120.9012 60.9470 39.6171 177.4891 43 S 4.0792 8.3929 114.1558 61.3581 62.5705 176.8595 44 V 3.5919 7.9024 121.7840 65.8200 31.2333 177.6788 45 Q 4.0519 8.4602 119.6860 59.3024 28.8948 178.5711 46 K 3.7996 7.9942 119.7116 59.2200 31.9426 178.8439 47 E 3.8957 8.0110 119.3127 59.3144 29.4815 179.0833 48 V 3.6437 8.0487 118.3144 66.2494 31.3476 177.9118 49 E 4.0206 8.4801 118.3827 58.8926 28.9684 179.3533 50 K 4.0197 7.8022 119.0266 59.5597 32.5888 178.3020 51 N 4.6863 8.4119 115.0875 54.4594 38.9336 175.8968 52 L 4.9503 8.2459 122.8466 54.8753 42.7760 179.3065 53 K 4.0181 8.4479 126.4975 60.2479 31.2445 181.3540 54 S 4.2901 7.8778 113.9214 61.3214 63.3353 175.8175 55 Y 4.4128 7.6552 119.8421 60.9699 37.5862 178.0655 56 L 4.4858 8.3912 119.8883 57.9208 41.5345 178.6184 57 D 4.6929 7.8787 116.2830 55.4826 41.0184 177.1779 58 D 4.4789 7.8016 118.8196 53.8184 41.5292 175.8799 59 F 5.0087 7.3588 118.7748 55.5799 41.4883 174.5731 60 H 5.0461 9.0530 119.6510 54.0733 29.7297 174.5310 61 V 4.0409 9.7629 128.1267 61.4686 29.9281 175.6599 62 E 4.8233 8.3819 120.3055 55.9151 30.9634 176.8273 63 S 4.8784 7.4296 113.8512 56.0211 67.0522 174.4976 64 I 3.7259 8.3741 122.4995 64.4509 37.6384 177.5787 65 D 4.2680 8.0478 118.3088 57.6442 41.0965 178.1468 66 T 3.8084 7.9802 116.0567 66.4183 68.3291 176.3111 67 A 3.9581 8.0524 122.6389 55.2533 18.4206 179.6148 68 R 2.5100 7.8967 117.1539 59.0716 29.9869 178.6521 69 I 3.6175 7.7166 119.5606 64.5573 37.1630 178.5367 70 I 3.6232 7.8006 120.5143 64.1348 36.8089 178.0748 71 F 4.2945 8.3829 121.7954 61.7387 39.1851 177.0287 72 N 4.1594 8.3528 115.8980 56.2748 38.4205 177.5686 73 Q 4.0813 8.2198 119.6250 58.8670 28.7281 178.9682 74 V 3.4045 7.7410 119.2181 66.2116 31.4654 178.0543 75 M 3.8049 7.7113 118.5930 58.1741 31.3301 178.5415 76 E 4.1044 8.1870 118.2222 59.3164 29.8386 179.0614 77 K 4.0266 7.8654 119.1854 59.3867 32.0618 178.1450 78 E 3.7495 8.0155 118.5718 59.2592 29.6714 178.0911 79 F 4.4422 8.3749 115.9112 57.4536 38.9158 177.5079 80 E 4.0274 7.8245 120.0470 59.1074 29.4301 177.4933 81 D 4.3747 7.9674 117.0202 53.5278 39.9230 177.1725 82 G 3.9185 8.2650 108.3840 45.7252 0.0000 173.8303 83 I 3.8504 7.8501 121.4409 60.8944 37.5118 175.5233 84 I 4.2358 7.8026 125.7198 58.9854 39.9671 174.8625 85 N 3.7641 7.4277 120.7666 50.4027 41.1320 175.4259 86 W 4.5677 8.7716 119.6314 59.6867 29.1372 178.7515 87 G 3.8736 8.4614 105.4650 48.0976 0.0000 175.5861 88 R 3.9232 8.1436 119.4023 58.9587 30.4785 178.8883 89 I 4.0699 7.9486 119.4608 64.5649 37.1766 178.5054 90 V 3.9275 8.5640 119.6814 66.5195 31.3436 178.1936 91 T 4.1260 8.1970 109.0575 64.5353 68.4983 176.7792 92 I 3.8600 7.9145 122.8999 64.4380 37.2177 178.1152 93 F 4.1949 8.4779 117.8946 60.5871 38.7492 177.3315 94 A 4.2656 8.2934 120.2415 55.5065 18.2182 179.5761 95 F 4.5072 8.8140 119.2641 61.1884 39.3833 177.4942 96 G 3.8208 8.6923 105.9215 47.8733 0.0000 175.9023 97 G 3.9363 8.5003 109.7092 46.8501 0.0000 175.8942 98 V 3.9081 7.8803 121.9855 65.3934 31.5829 178.2287 99 L 3.8780 7.7495 118.7157 57.5049 41.3812 179.2366 100 L 3.9739 8.0785 120.4458 58.0923 42.0796 179.2058 101 K 3.9948 8.3245 118.6375 59.3484 31.9552 179.5288 102 K 4.0080 7.9774 118.4124 59.3333 31.9240 179.0662 103 L 4.2423 8.2688 122.3434 57.6999 41.7677 179.2730 104 K 3.9947 8.0019 117.2420 59.4304 31.9838 179.1411 105 Q 4.1753 7.8007 117.3373 58.1536 28.9998 176.8802 106 E 4.5894 8.2546 116.7972 55.8197 31.2692 175.8135 107 Q 4.2925 8.1679 121.3020 56.3204 29.7443 175.6236 108 I 4.0326 8.4288 126.3370 63.4737 37.9161 176.6786 109 A 4.0173 7.7955 121.7287 51.7682 18.6763 176.7984 110 L 3.9477 8.3983 124.5658 55.1801 42.3786 176.3489 111 D 4.4815 8.3035 125.5707 53.1510 42.0287 174.8559 112 V 3.9590 8.3132 119.3416 62.2370 32.2287 177.3138 113 S 4.5148 8.0501 114.3040 57.8846 63.2896 175.8903 114 A 3.9447 8.0383 125.7749 55.9191 17.9316 179.8936 115 Y 4.0293 7.9768 115.7047 60.0462 38.0743 178.7071 116 K 3.6026 6.7848 119.6871 59.2637 32.0508 179.1046 117 Q 3.8841 7.5669 118.0664 58.8901 28.5870 179.0677 118 V 2.0000 7.7919 119.8211 65.3740 31.4240 178.1297 119 S 3.9908 8.0889 114.3449 61.5058 62.6364 176.8432 120 S 3.9433 7.7448 118.4991 61.3473 62.6607 176.6096 121 F 4.3930 7.4121 117.3013 59.4240 37.7149 177.9932 122 V 3.3347 7.3955 118.9810 65.7669 31.2596 177.7515 123 A 4.0132 8.0917 120.6959 55.2203 18.1344 179.3950 124 E 3.9164 8.3175 116.9933 59.4812 29.4871 179.3089 125 F 3.8924 8.4198 120.5073 61.3409 39.4463 177.0231 126 I 3.6798 7.9939 119.3026 64.6652 36.9609 178.0664 127 M 4.0392 8.3365 119.0921 58.9403 31.9117 178.0932 128 N 4.3016 8.2253 115.5460 55.7764 38.7178 176.4467 129 N 4.4156 7.8234 116.9625 54.0010 39.4725 175.8121 130 T 4.5483 8.0644 107.4291 60.1307 70.6352 175.9357 131 G 3.6786 8.3444 110.4764 47.5040 0.0000 175.4246 132 E 3.9330 8.1205 121.7214 58.5447 29.6306 178.2975 133 W 3.9536 8.2000 127.8963 60.5732 30.7495 177.6770 134 I 3.3186 8.2213 120.2159 64.3634 36.3508 178.6818 135 R 3.9927 7.5754 114.9940 59.0035 29.4580 178.2004 136 Q 4.1384 7.6901 116.7785 56.7163 28.8228 175.8190 137 N 4.6026 7.5872 118.4260 52.7796 39.0837 176.0302 138 G 3.9363 8.3558 107.1198 44.0973 0.0000 175.9253 139 G 4.2436 8.1074 109.4800 44.5434 0.0000 174.2504 140 W 4.1478 8.7528 116.8889 59.5053 29.5227 178.5468 141 E 4.1576 8.4907 116.6338 58.9185 29.3994 177.0858 142 D 4.6435 7.7646 113.9828 54.7959 40.5927 176.9379 143 G 4.2396 7.2784 104.8049 45.1856 0.0000 175.0947 144 F 2.5609 7.8088 121.9149 60.1383 39.6676 177.8854 145 I 3.6692 7.8497 121.8397 64.8639 36.8550 179.2533 146 K 4.0532 7.5876 124.0242 59.3714 31.2206 181.5853 147 K 4.0341 7.5009 116.4946 58.8688 31.8708 178.1365 148 F 4.4971 7.7256 115.8120 57.3295 39.7658 175.5684 149 E 4.2526 7.7455 122.7376 56.3860 29.4588 175.7630 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 G 8.20 3.98 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 0.00 0.00 0.00 0 S 9.27 4.15 0.00 4.15 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 1 M 8.68 4.14 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.49 0.00 2 A 8.06 4.02 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 3 E 8.27 3.93 0.00 2.23 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 2.34 2.51 0.00 4 S 8.69 4.19 0.00 4.03 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 0.00 5 E 8.39 4.09 0.00 2.24 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 0.00 2.47 2.52 0.00 6 L 8.26 4.05 0.00 1.82 1.85 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.25 4.11 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 8 H 8.50 4.13 0.00 3.38 3.55 0.00 5.79 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 9 I 8.07 3.74 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.99 1.07 0.00 0.00 10 H 8.56 4.20 0.00 3.29 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.20 3.84 0.00 3.92 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 12 L 7.71 3.74 0.00 1.76 1.32 -0.71 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.47 4.46 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 14 E 8.54 4.02 0.00 2.00 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 2.29 2.25 0.00 15 H 8.35 4.42 0.00 3.13 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.21 4.15 0.00 3.02 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.85 0.00 1.82 1.72 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.16 3.46 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 1.61 2.02 0.00 19 Y 7.80 3.84 0.00 3.06 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 20 V 7.33 3.18 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 0.84 0.00 0.00 0.55 0.00 0.00 21 L 7.19 4.31 0.00 1.45 1.52 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.27 3.16 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 23 V 7.62 3.56 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 0.60 0.00 0.00 0.49 0.00 0.00 24 P 0.00 4.18 0.00 2.18 2.04 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 *31 S 8.25 4.25 0.00 4.09 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 32 Q 8.35 3.89 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 33 A 7.99 4.10 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 34 C 8.03 3.97 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.00 3.80 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 36 V 7.87 3.59 1.59 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 0.58 0.00 0.00 0.28 0.00 0.00 37 L 8.29 4.03 0.00 1.63 1.65 0.32 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.35 4.10 0.00 1.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 39 R 7.68 3.91 0.00 1.83 1.98 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 40 V 7.97 3.74 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 1.08 0.00 0.00 1.17 0.00 0.00 41 A 8.39 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.02 4.65 0.00 3.60 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 43 S 8.39 4.08 0.00 4.15 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.90 3.59 2.34 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 1.16 0.00 0.00 1.06 0.00 0.00 45 Q 8.46 4.05 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 46 K 7.99 3.80 0.00 1.74 1.70 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.91 0.35 7.81 47 E 8.01 3.90 0.00 2.20 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 2.33 2.34 0.00 48 V 8.05 3.64 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 1.25 0.00 0.00 1.07 0.00 0.00 49 E 8.48 4.02 0.00 2.13 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 2.40 2.46 0.00 50 K 7.80 4.02 0.00 1.83 2.11 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 51 N 8.41 4.69 0.00 2.89 2.91 0.00 0.00 7.00 7.64 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 52 L 8.25 4.95 0.00 1.95 1.89 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.45 4.02 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 54 S 7.88 4.29 0.00 3.72 3.88 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 55 Y 7.66 4.41 0.00 3.36 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 56 L 8.39 4.49 0.00 2.01 1.91 1.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.88 4.69 0.00 2.84 2.71 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 58 D 7.80 4.48 0.00 2.37 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 0.00 0.00 0.00 0.00 59 F 7.36 5.01 0.00 3.10 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 60 H 9.05 5.05 0.00 3.28 3.30 0.00 5.51 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 9.76 4.04 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 0.99 0.00 0.00 0.96 0.00 0.00 62 E 8.38 4.82 0.00 2.17 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 0.00 2.32 2.20 0.00 63 S 7.43 4.88 0.00 4.02 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 64 I 8.37 3.73 1.91 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 1.60 1.57 0.94 0.00 0.00 65 D 8.05 4.27 0.00 2.82 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 66 T 7.98 3.81 4.38 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 1.26 0.00 0.00 67 A 8.05 3.96 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 68 R 7.90 2.51 0.00 1.24 1.82 0.00 3.02 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.00 69 I 7.72 3.62 1.96 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 1.49 0.47 0.93 0.00 0.00 70 I 7.80 3.62 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.50 0.00 0.00 71 F 8.38 4.29 0.00 3.23 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 72 N 8.35 4.16 0.00 2.85 2.87 0.00 0.00 7.13 7.26 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 73 Q 8.22 4.08 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 74 V 7.74 3.40 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 0.34 0.00 0.00 0.81 0.00 0.00 75 M 7.71 3.80 0.00 0.51 1.07 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.57 0.00 76 E 8.19 4.10 0.00 2.10 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 2.47 2.55 0.00 77 K 7.87 4.03 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 78 E 8.02 3.75 0.00 1.75 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 1.49 2.01 0.00 79 F 8.37 4.44 0.00 3.44 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 80 E 7.82 4.03 0.00 2.07 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 2.50 2.28 0.00 81 D 7.97 4.37 0.00 2.74 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 82 G 8.27 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.85 3.85 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.78 0.00 0.00 84 I 7.80 4.24 0.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 -0.26 0.00 0.00 85 N 7.43 3.76 0.00 2.92 2.75 0.00 0.00 6.28 8.88 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 86 W 8.77 4.57 0.00 3.62 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 87 G 8.46 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 0.00 0.00 0.00 88 R 8.14 3.92 0.00 1.97 2.04 0.00 2.52 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 89 I 7.95 4.07 2.33 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 1.42 0.00 0.00 90 V 8.56 3.93 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.34 0.00 0.00 91 T 8.20 4.13 4.30 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 1.34 0.00 0.00 92 I 7.91 3.86 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.05 1.08 0.00 0.00 93 F 8.48 4.19 0.00 3.15 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 94 A 8.29 4.27 1.63 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 0.00 0.00 95 F 8.81 4.51 0.00 3.21 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 96 G 8.69 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 97 G 8.50 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.88 3.91 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 1.22 0.00 0.00 1.22 0.00 0.00 99 L 7.75 3.88 0.00 1.73 1.62 0.91 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.08 3.97 0.00 1.79 1.80 0.94 0.50 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 0.00 101 K 8.32 3.99 0.00 2.01 1.87 0.00 1.81 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 102 K 7.98 4.01 0.00 2.00 2.04 0.00 1.78 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.63 7.81 103 L 8.27 4.24 0.00 1.84 1.86 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.00 3.99 0.00 1.91 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.77 1.62 7.81 105 Q 7.80 4.18 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 106 E 8.25 4.59 0.00 2.27 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 2.27 2.24 0.00 107 Q 8.17 4.29 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 108 I 8.43 4.03 1.88 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 1.25 0.87 0.92 0.00 0.00 109 A 7.80 4.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.40 3.95 0.00 1.62 1.60 0.92 1.12 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 0.00 111 D 8.30 4.48 0.00 2.61 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 0.00 112 V 8.31 3.96 2.10 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 0.79 0.00 0.00 0.93 0.00 0.00 113 S 8.05 4.51 0.00 3.86 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 0.00 114 A 8.04 3.94 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 0.00 115 Y 7.98 4.03 0.00 3.18 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 0.00 116 K 6.78 3.60 0.00 1.64 1.65 0.00 1.40 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.03 0.38 7.81 117 Q 7.57 3.88 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 118 V 7.79 2.00 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 0.59 0.00 0.00 0.81 0.00 0.00 119 S 8.09 3.99 0.00 4.07 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 0.00 120 S 7.74 3.94 0.00 3.99 3.88 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 0.00 121 F 7.41 4.39 0.00 2.99 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 0.00 122 V 7.40 3.33 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 0.37 0.00 0.00 123 A 8.09 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 0.00 124 E 8.32 3.92 0.00 2.14 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 2.34 2.49 0.00 125 F 8.42 3.89 0.00 3.46 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.68 2.01 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 1.07 0.00 0.00 127 M 8.34 4.04 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 128 N 8.23 4.30 0.00 2.54 2.70 0.00 0.00 7.07 7.59 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 0.00 129 N 7.82 4.42 0.00 1.87 2.20 0.00 0.00 6.80 8.23 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 0.00 130 T 8.06 4.55 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 0.98 0.00 0.00 131 G 8.34 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 0.00 132 E 8.12 3.93 0.00 2.09 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 2.57 0.00 133 W 8.20 3.95 0.00 3.37 3.25 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 0.00 134 I 8.22 3.32 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.94 0.78 0.00 0.00 135 R 7.58 3.99 0.00 1.94 2.08 0.00 3.07 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 136 Q 7.69 4.14 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.45 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 137 N 7.59 4.60 0.00 1.44 1.89 0.00 0.00 7.08 9.19 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 0.00 138 G 8.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.11 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 0.00 0.00 0.00 0.00 140 W 8.75 4.15 0.00 3.62 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 0.00 141 E 8.49 4.16 0.00 2.03 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 2.42 2.34 0.00 142 D 7.76 4.64 0.00 2.94 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 0.00 143 G 7.28 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 0.00 0.00 0.00 0.00 144 F 7.81 2.56 0.00 1.51 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 0.00 145 I 7.85 3.67 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.90 0.00 0.00 146 K 7.59 4.05 0.00 1.61 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 147 K 7.50 4.03 0.00 0.89 1.33 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 148 F 7.73 4.50 0.00 2.98 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 0.00 149 E 7.75 4.25 0.00 1.93 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 2.29 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.