NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 A 4.3478 8.1076 123.5854 52.6245 20.4965 178.7908 19 T 3.8905 7.9538 103.6877 63.1255 68.7480 171.7037 20 E 4.0929 8.0184 122.4115 59.2625 30.8572 178.6329 21 T 4.3777 7.7708 108.4495 60.7540 70.2541 175.6247 22 T 4.0060 8.6401 117.4588 65.3159 69.1625 176.0361 *24 G 3.9380 8.1369 112.5959 45.6821 0.0000 175.7617 25 R 3.9725 8.4436 120.3596 59.1650 30.1225 177.9937 26 Y 4.2963 8.3079 119.4287 60.8930 38.8834 178.2817 27 K 3.7067 8.1146 118.8808 59.1718 32.1124 179.3982 28 K 3.9831 8.2332 118.9679 59.3222 31.8873 179.4313 29 V 3.6586 8.0864 118.7179 66.0775 31.5301 178.1743 30 I 3.6282 7.5214 119.1162 64.3756 36.7328 177.9817 31 E 3.9002 7.9292 118.7138 59.4072 29.5043 178.5915 32 I 3.9476 8.0335 119.4349 63.3458 37.6511 177.3569 33 T 3.9157 7.9926 108.2028 61.2306 69.4451 176.2566 34 G 3.6315 7.8860 110.7482 48.3099 0.0000 174.4753 35 H 4.3584 8.0257 113.7288 56.6980 29.2986 175.0930 36 D 4.6530 7.8696 121.7501 53.1613 41.9493 176.4220 37 E 3.9612 8.8132 126.6175 59.3486 29.5432 179.3495 38 V 3.4256 7.9158 118.6041 65.7698 31.7595 177.6001 39 A 4.1390 8.6081 120.4575 55.1819 18.2199 179.4070 40 A 4.0012 8.3598 119.4414 55.4113 18.4971 180.1073 41 K 3.9584 8.0259 116.9131 59.5720 32.1058 179.7073 42 L 4.0601 8.3006 119.6814 57.6526 41.5602 179.3526 43 L 3.3200 8.1214 120.4187 57.7713 42.0007 178.4570 44 E 4.0357 8.4113 119.5738 59.3576 29.4103 179.1602 45 G 3.6198 8.0710 105.7758 47.3746 0.0000 175.6417 46 L 3.9934 7.7934 122.7040 58.0399 42.0508 179.1337 47 I 3.6084 7.7614 119.7801 64.3684 37.0107 177.7945 48 D 4.2984 8.1886 118.6368 57.4541 41.0322 178.2475 49 A 4.1390 8.5022 121.6680 54.8800 18.2526 179.8473 50 G 3.5867 8.3254 104.8064 48.3645 0.0000 176.1640 51 T 3.9002 8.2466 113.2846 64.1381 68.6812 176.8845 52 R 3.9294 8.2590 121.1815 59.2511 30.1080 178.3225 53 Y 4.1229 8.1413 119.2936 60.5908 38.7954 177.4068 54 F 3.7386 8.4272 121.7385 61.5374 39.3491 177.1644 55 S 4.1424 8.5029 114.7138 61.7743 62.4666 177.0302 56 K 3.9015 7.8351 119.6312 59.2280 31.7920 179.4173 57 V 3.4509 7.2280 117.7270 65.8271 31.6487 177.9656 58 V 3.5417 7.4049 117.9973 65.7594 31.3236 177.5602 59 E 3.8777 7.9569 115.1093 57.8179 29.0480 177.7898 *61 E 4.2011 7.9767 117.6620 56.6978 31.6730 176.7288 62 H 4.2858 8.5803 118.5929 59.4138 30.1057 179.1561 63 R 4.2753 8.0407 117.3479 55.5365 29.0383 178.6349 *65 A 4.2987 8.1235 122.8247 51.4740 20.7608 179.0818 66 S 4.8171 7.6077 109.6603 59.5635 64.5576 176.4535 67 A 4.1778 8.6749 124.8255 54.6835 18.0914 179.6328 68 R 3.9060 8.0468 114.5232 59.3980 29.1931 178.3234 69 F 4.2990 8.1069 116.2795 58.7127 39.0381 176.0412 70 R 4.6833 7.5584 110.5574 55.8030 32.7949 174.7697 71 L 4.7517 8.0450 119.9740 52.7479 43.6516 176.0932 72 D 4.6560 8.4075 122.6277 52.6057 40.6517 177.5363 73 G 3.5719 8.5168 105.0077 47.5967 0.0000 175.4967 74 E 3.9461 8.2032 121.0096 59.0622 29.9574 177.9907 75 E 3.9193 8.5283 118.9113 59.7294 29.5386 179.4481 76 L 3.9571 7.9270 119.9259 58.0117 42.1422 178.9025 77 R 3.8770 8.0593 118.6966 59.4313 30.0268 178.4112 78 E 3.9178 8.3905 118.5090 59.2321 29.5088 178.9834 79 L 3.9118 7.9178 120.2593 58.5945 42.0977 178.9137 80 T 3.8617 8.2177 116.0086 66.8123 68.3435 176.1171 81 E 3.9153 8.1731 120.9235 59.5194 29.6811 178.9455 82 T 3.8601 7.9087 115.7790 66.6559 68.4496 176.6836 83 L 3.9650 8.0182 120.8310 57.6715 41.6325 178.9559 84 D 4.3197 8.3245 118.1900 57.5959 41.1856 178.6086 85 R 3.9399 8.1516 118.5533 59.2981 30.0718 179.1030 86 S 4.1002 8.1086 113.0130 61.1888 62.4178 176.0324 87 R 3.9667 8.2652 121.6880 59.6381 29.8647 178.6173 88 R 4.0325 8.1986 117.7807 59.2713 30.0755 178.7354 89 L 3.9705 8.2004 119.8669 58.2289 42.0427 178.9362 90 A 4.0929 8.2720 120.6762 55.3848 18.2224 179.1398 91 H 3.5750 8.4522 116.9282 59.2921 29.8125 177.4502 92 E 3.9056 8.2597 120.4859 59.3511 29.1621 179.5007 93 S 4.1110 8.2798 115.4295 61.2337 62.8853 176.2845 94 L 3.9603 8.0565 123.1176 58.3119 41.8707 179.0514 95 I 3.5034 7.7999 119.6604 64.3830 36.9656 178.2941 96 S 4.0736 8.2304 114.0475 61.6242 62.2407 176.2291 97 S 4.1624 8.3595 118.0934 61.5487 62.4683 176.6144 98 L 4.0429 8.0127 122.7524 58.5767 41.8801 178.7214 99 H 4.2091 8.1226 116.1153 58.8711 28.6666 178.0240 100 V 3.6274 8.1927 120.3227 65.9008 31.4225 177.7697 101 F 4.2618 8.4242 120.3499 61.6354 39.2166 176.9084 102 N 4.1857 8.5931 116.2779 56.1569 38.3160 177.5879 103 R 3.8572 8.1653 119.6323 59.3277 30.1667 178.3794 104 Y 3.9081 7.9109 119.3016 60.7752 38.7980 178.3362 105 I 3.8100 7.6144 113.9164 63.7586 37.5369 178.3426 106 V 3.4980 7.9424 120.4675 65.4985 31.1177 177.7906 107 K 3.7312 7.6758 118.3591 59.4221 32.0942 177.8773 108 E 3.9242 7.4267 116.3662 57.0840 30.0058 176.5416 109 Y 5.0691 7.2129 114.5483 55.6509 39.9540 177.3047 110 G 3.7099 7.9235 110.6143 48.1479 0.0000 176.1959 111 E 3.9449 8.0146 120.0775 59.3395 29.5572 178.8923 112 E 3.9839 8.2781 118.0833 59.4947 29.5295 179.3873 113 L 4.0063 8.2103 118.9753 57.6353 41.7475 179.4373 114 K 3.9280 8.0387 119.4711 59.7321 31.9673 178.5812 115 E 4.0059 8.2383 117.3431 59.1664 29.4544 178.4142 116 A 4.3719 7.6982 117.9419 52.1693 18.9521 178.1208 117 G 3.9349 8.2723 106.2631 45.1378 0.0000 174.0045 118 I 4.6272 7.6233 111.9320 59.4136 37.5432 175.3219 119 E 4.1035 7.9485 120.2080 58.4648 30.3935 176.7823 120 G 4.0178 8.4841 112.6496 44.6265 0.0000 173.6195 121 G 4.0678 7.4316 103.6789 44.5432 0.0000 175.4566 122 I 4.0846 9.3389 122.4703 62.2942 38.4138 175.6433 123 F 4.2243 7.8674 123.0629 56.1117 40.1697 174.6123 124 P 4.1272 0.0000 0.0000 65.2799 31.5020 177.5719 125 K 4.2508 6.3323 122.1135 54.0793 32.4961 180.7390 *126 P 4.5201 0.0000 0.0000 65.1428 31.4350 177.6638 127 E 4.1400 8.3951 113.6995 58.3817 29.8700 179.8106 128 A 4.7937 7.9848 120.5933 51.6752 19.2276 177.8548 129 N 3.9471 8.3212 115.3402 55.4288 37.4690 175.7844 130 R 4.2449 7.6855 116.5730 56.3804 31.2811 176.0880 131 D 4.5480 8.2850 119.5053 53.2648 41.6565 176.2029 132 R 3.8520 8.6777 126.9770 59.8939 30.1659 178.9724 133 I 3.8592 7.9249 118.3293 64.3169 37.2370 178.2269 134 A 4.1824 8.4798 121.7369 55.2314 18.1575 179.7385 135 I 4.0451 8.5228 118.5697 64.6691 37.2139 178.4721 136 A 4.1547 8.3003 121.5757 55.3679 18.3291 179.4652 137 D 4.3957 8.9437 117.7674 57.2043 40.8385 178.7652 138 W 4.1965 9.1715 129.0488 60.4947 30.7078 177.8834 139 A 3.2098 8.7981 121.3090 54.7375 17.7047 179.7451 140 G 3.6442 8.0910 104.2599 47.9560 0.0000 175.5458 141 E 3.8592 7.9546 121.5008 58.7179 29.6565 178.5693 142 L 3.6161 7.5036 120.4125 58.1139 42.1035 179.0239 143 L 3.7173 7.6642 118.9337 57.9175 41.4134 179.5543 144 T 3.9100 8.1083 116.2152 66.5330 68.3747 176.8917 145 G 3.5452 8.0416 107.4916 47.8176 0.0000 175.8223 146 I 3.6651 7.4914 121.3704 64.1302 37.5064 177.6014 147 Y 4.0494 7.9864 120.2544 60.8435 38.4481 178.0643 148 E 4.0351 8.4831 118.3050 58.5857 29.5719 177.9845 149 N 4.7249 7.6366 114.6144 51.6635 39.2721 175.3232 150 R 3.8936 6.9764 117.9677 56.3981 29.7815 176.4507 151 H 4.3347 8.5390 116.4789 55.6508 29.3490 175.5062 152 R 4.0574 8.3762 118.9059 56.6112 30.0453 176.5317 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 18 A 8.11 4.35 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 19 T 7.95 3.89 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 1.30 0.00 0.00 20 E 8.02 4.09 0.00 2.00 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 2.33 2.31 0.00 21 T 7.77 4.38 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 1.23 0.00 0.00 22 T 8.64 4.01 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 1.22 0.00 0.00 *24 G 8.14 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 25 R 8.44 3.97 0.00 2.05 2.24 0.00 3.23 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 26 Y 8.31 4.30 0.00 3.18 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 27 K 8.11 3.71 0.00 1.80 1.78 0.00 1.63 0.00 0.00 1.46 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.50 7.81 28 K 8.23 3.98 0.00 2.11 1.88 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 29 V 8.09 3.66 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 1.45 0.00 0.00 1.17 0.00 0.00 30 I 7.52 3.63 1.81 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.82 0.00 0.00 31 E 7.93 3.90 0.00 2.05 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 0.00 2.30 2.48 0.00 32 I 8.03 3.95 1.90 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 1.58 0.72 0.87 0.00 0.00 33 T 7.99 3.92 4.12 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 1.15 0.00 0.00 34 G 7.89 3.63 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 0.00 35 H 8.03 4.36 0.00 3.30 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.87 4.65 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 3.96 0.00 2.25 2.22 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 2.40 2.38 0.00 38 V 7.92 3.43 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 0.45 0.00 0.00 0.89 0.00 0.00 39 A 8.61 4.14 1.68 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 40 A 8.36 4.00 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 41 K 8.03 3.96 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.62 7.81 42 L 8.30 4.06 0.00 2.11 2.01 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.12 3.32 0.00 1.41 1.71 0.51 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.41 4.04 0.00 2.15 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 2.31 2.34 0.00 45 G 8.07 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.79 3.99 0.00 1.81 1.70 1.14 1.10 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 47 I 7.76 3.61 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.84 0.00 0.00 48 D 8.19 4.30 0.00 2.87 2.83 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 49 A 8.50 4.14 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 50 G 8.33 3.59 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 0.00 0.00 0.00 51 T 8.25 3.90 4.20 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 1.16 0.00 0.00 52 R 8.26 3.93 0.00 2.18 2.08 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 53 Y 8.14 4.12 0.00 3.09 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 54 F 8.43 3.74 0.00 3.14 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 55 S 8.50 4.14 0.00 4.06 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 56 K 7.84 3.90 0.00 1.74 1.81 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.63 7.81 57 V 7.23 3.45 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.01 0.00 0.00 58 V 7.40 3.54 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 0.90 0.00 0.00 0.29 0.00 0.00 59 E 7.96 3.88 0.00 2.07 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 2.29 2.35 0.00 *61 E 7.98 4.20 0.00 1.98 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 2.28 2.13 0.00 62 H 8.58 4.29 0.00 3.16 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.04 4.28 0.00 1.92 1.90 0.00 3.35 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 *65 A 8.12 4.30 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 66 S 7.61 4.82 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.67 4.18 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 68 R 8.05 3.91 0.00 1.84 2.11 0.00 2.90 0.00 0.00 3.46 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 69 F 8.11 4.30 0.00 3.19 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 70 R 7.56 4.68 0.00 2.03 2.03 0.00 3.06 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 71 L 8.05 4.75 0.00 1.69 1.60 0.92 0.95 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 72 D 8.41 4.66 0.00 2.84 2.83 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 73 G 8.52 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.20 3.95 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 75 E 8.53 3.92 0.00 2.26 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 2.34 2.35 0.00 76 L 7.93 3.96 0.00 1.94 1.80 0.91 0.91 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 77 R 8.06 3.88 0.00 2.11 2.05 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 78 E 8.39 3.92 0.00 2.01 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 2.51 2.46 0.00 79 L 7.92 3.91 0.00 1.83 1.80 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.22 3.86 4.39 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 1.20 0.00 0.00 81 E 8.17 3.92 0.00 2.05 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 2.31 2.35 0.00 82 T 7.91 3.86 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 1.21 0.00 0.00 83 L 8.02 3.96 0.00 1.69 1.70 0.91 0.79 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 84 D 8.32 4.32 0.00 2.88 2.83 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 85 R 8.15 3.94 0.00 1.90 1.98 0.00 3.37 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 86 S 8.11 4.10 0.00 3.96 4.02 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 87 R 8.27 3.97 0.00 1.96 2.18 0.00 3.07 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 1.79 1.63 0.00 88 R 8.20 4.03 0.00 2.08 2.00 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 89 L 8.20 3.97 0.00 1.90 1.87 0.94 0.85 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 90 A 8.27 4.09 1.58 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 91 H 8.45 3.58 0.00 3.31 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.26 3.91 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 93 S 8.28 4.11 0.00 4.07 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 94 L 8.06 3.96 0.00 1.75 1.75 1.07 0.88 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 95 I 7.80 3.50 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.69 0.00 0.00 96 S 8.23 4.07 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.36 4.16 0.00 3.93 3.96 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 98 L 8.01 4.04 0.00 1.84 1.68 0.61 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.12 4.21 0.00 3.21 3.28 0.00 5.69 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 0.00 100 V 8.19 3.63 2.24 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 1.06 0.00 0.00 1.03 0.00 0.00 101 F 8.42 4.26 0.00 3.28 3.35 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 0.00 102 N 8.59 4.19 0.00 2.87 2.82 0.00 0.00 7.09 8.51 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 0.00 103 R 8.17 3.86 0.00 1.94 1.98 0.00 3.12 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 1.62 1.77 0.00 104 Y 7.91 3.91 0.00 3.12 3.05 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 0.00 105 I 7.61 3.81 1.84 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 0.93 0.82 0.60 0.00 0.00 106 V 7.94 3.50 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 0.93 0.00 0.00 0.91 0.00 0.00 107 K 7.68 3.73 0.00 1.77 1.71 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.35 7.81 108 E 7.43 3.92 0.00 1.16 1.12 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 1.52 1.47 0.00 109 Y 7.21 5.07 0.00 3.07 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 0.00 110 G 7.92 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 0.00 0.00 0.00 111 E 8.01 3.94 0.00 2.12 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 2.40 1.97 0.00 112 E 8.28 3.98 0.00 2.30 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 2.50 2.53 0.00 113 L 8.21 4.01 0.00 1.88 1.94 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.04 3.93 0.00 1.94 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 115 E 8.24 4.01 0.00 2.14 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 2.36 2.48 0.00 116 A 7.70 4.37 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 0.00 117 G 8.27 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 0.00 118 I 7.62 4.63 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 0.95 0.00 0.00 119 E 7.95 4.10 0.00 1.96 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 2.29 2.32 0.00 120 G 8.48 4.02 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 0.00 0.00 0.00 121 G 7.43 4.07 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 0.00 0.00 0.00 122 I 9.34 4.08 2.35 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 1.18 0.00 0.00 123 F 7.87 4.22 0.00 2.65 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 0.00 124 P 0.00 4.13 0.00 1.85 2.02 0.00 2.36 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 125 K 6.33 4.25 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.25 7.81 *126 P 0.00 4.52 0.00 2.08 1.97 0.00 3.72 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 1.91 1.58 0.00 127 E 8.40 4.14 0.00 1.98 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 2.23 1.89 0.00 128 A 7.98 4.79 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 0.00 129 N 8.32 3.95 0.00 2.49 3.00 0.00 0.00 6.12 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 0.00 130 R 7.69 4.24 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 131 D 8.29 4.55 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 3.85 0.00 1.86 1.91 0.00 3.05 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 133 I 7.92 3.86 1.94 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 1.65 0.78 0.99 0.00 0.00 134 A 8.48 4.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 4.05 2.04 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.52 1.01 0.00 0.00 136 A 8.30 4.15 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.94 4.40 0.00 2.95 2.83 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 0.00 138 W 9.17 4.20 0.00 3.41 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.80 3.21 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 0.00 140 G 8.09 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 0.00 141 E 7.95 3.86 0.00 2.19 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 2.26 2.30 0.00 142 L 7.50 3.62 0.00 0.98 1.02 0.29 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.66 3.72 0.00 1.38 1.29 0.77 0.56 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 0.00 144 T 8.11 3.91 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 0.00 145 G 8.04 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 3.67 1.73 0.00 0.00 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 1.26 0.43 0.88 0.00 0.00 147 Y 7.99 4.05 0.00 3.03 3.03 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 0.00 0.00 0.00 148 E 8.48 4.04 0.00 2.02 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 2.43 2.62 0.00 149 N 7.64 4.72 0.00 2.81 2.83 0.00 0.00 6.99 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 0.00 150 R 6.98 3.89 0.00 1.76 1.76 0.00 2.68 0.00 0.00 2.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 151 H 8.54 4.33 0.00 3.27 3.33 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.38 4.06 0.00 1.81 1.85 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.