NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6211 8.3544 109.7353 45.3237 0.0000 173.1960 *2 D 4.2419 8.5229 123.9647 54.6563 41.1638 174.6819 3 T 4.3630 8.1001 116.5439 61.9114 69.1777 176.0098 4 N 4.4743 8.6038 121.9346 56.4252 38.3986 177.5181 5 G 3.5859 7.9990 107.2670 47.5584 0.0000 175.8730 6 V 3.5586 7.6158 120.1804 65.5656 31.5790 177.5058 7 L 3.9622 8.1177 120.2640 58.4675 41.7134 178.2755 8 Y 3.9958 8.0730 117.6758 60.6378 38.8324 177.6455 9 A 4.0878 7.9200 120.0419 55.1984 18.7637 179.1749 10 A 4.3151 8.2652 119.5526 55.0531 18.5293 180.3683 11 N 4.4892 8.2991 115.1724 54.1193 39.0764 176.9816 *13 T 4.4833 7.9101 116.4328 63.3256 70.7097 176.2693 14 N 4.2160 8.3365 118.3460 55.9179 38.3521 177.1483 15 A 4.0415 7.9628 121.8644 54.8887 18.3327 179.6348 16 L 3.7148 7.9238 117.6251 57.9581 41.5002 179.4724 17 A 3.8047 7.3507 118.7009 54.4681 18.3478 179.3502 18 K 4.1146 7.7051 116.7648 58.7214 32.1985 177.5635 19 E 4.4878 8.0725 117.8160 56.3573 31.5026 175.8767 20 I 4.2013 7.8086 120.3944 59.2953 37.9856 173.9908 21 P 4.2918 0.0000 0.0000 62.7667 31.7491 177.0648 22 E 2.0000 8.2559 121.0311 58.2454 29.1178 178.9779 23 S 4.1459 7.7980 112.9142 60.3065 63.1521 175.2740 24 K 4.4824 7.9426 121.1529 56.2480 32.4672 177.4952 25 W 4.6339 8.1399 120.0396 58.1393 28.9157 176.7854 26 D 4.9932 7.8053 117.0885 53.7965 41.0533 176.2660 27 I 3.8032 7.4215 121.4709 61.0304 37.4194 176.1467 28 Q 4.1932 8.4900 126.5755 55.2906 27.8325 175.5875 29 L 4.1653 8.4805 124.9802 56.9030 41.7997 177.7717 30 I 4.7218 7.1756 110.4339 58.1362 40.5842 174.2048 31 P 4.2926 0.0000 0.0000 65.5280 31.3547 177.3281 32 E 4.1635 8.0142 116.8371 57.6273 29.7262 176.2356 33 L 4.8076 7.2894 117.3356 52.1934 45.6079 176.4844 34 G 3.8141 8.5271 109.7212 45.3029 0.0000 173.9924 35 T 4.1889 8.2026 110.5232 61.4273 70.4879 175.1004 36 L 3.1931 8.2879 121.2710 57.6725 41.4501 179.7654 37 R 3.5998 7.8824 118.4891 59.3579 30.0589 178.7351 38 K 3.9088 7.8251 118.1487 59.1572 31.9384 178.9986 39 L 3.7746 7.7057 120.6923 58.2073 41.9454 179.1546 40 F 4.3978 7.6162 117.8473 60.6128 38.8093 177.6467 41 I 3.7387 7.9428 119.5485 64.6780 36.8324 177.9281 42 H 4.1788 8.3361 118.9023 59.2907 29.6192 177.3573 43 I 3.6782 8.1506 121.9747 64.3320 36.9743 178.4684 44 V 3.5544 7.8123 118.9678 66.0334 31.3499 177.8784 45 R 3.8304 7.9866 118.2599 59.5891 29.9225 178.6877 46 V 3.4399 8.0267 118.2575 65.8526 31.4237 178.1246 47 R 4.1103 8.2756 118.2039 59.5630 29.8479 178.8235 48 D 4.2936 8.2250 118.6174 57.0649 40.7319 178.9485 49 V 3.2839 7.6454 118.8772 66.2062 31.4510 177.7868 50 Y 4.2110 7.6122 116.3924 60.8970 37.6359 178.4334 51 R 3.7715 8.2481 119.9446 59.5100 30.2106 178.0957 52 D 4.3792 8.3947 118.2569 57.1274 41.0839 178.4050 53 G 3.6097 7.9936 106.3420 47.4985 0.0000 175.7557 54 L 3.9745 7.6072 120.2352 56.9178 41.5896 179.0481 55 K 4.2697 7.7610 119.3721 58.3762 32.3379 177.8657 56 T 4.5814 8.1515 107.4004 60.8789 70.4830 175.1790 57 G 3.0091 8.6539 110.9741 44.4699 0.0000 173.0627 58 S 4.8225 7.3914 113.2429 56.4061 65.9563 173.1725 59 I 4.0569 8.7009 125.7566 60.5868 37.6941 176.6305 60 K 4.4441 7.7578 124.5663 54.2182 32.1266 175.7774 61 F 4.3507 7.8344 120.1127 56.2864 39.9286 174.3166 62 P 4.5695 0.0000 0.0000 64.1599 32.0420 175.5239 63 G 3.7731 8.0641 103.0792 44.1848 0.0000 172.7843 64 R 4.5493 8.0582 118.2703 54.1287 32.1008 176.2191 65 L 4.0852 8.2568 119.6363 54.6753 42.2466 177.3594 66 A 4.1414 8.2700 123.9066 51.7975 19.0100 177.7557 67 S 4.1932 8.5721 116.2102 58.9540 62.8622 173.8827 68 D 4.7418 8.7854 127.9034 55.0507 41.3162 177.4082 69 E 4.3678 8.1034 115.3709 56.5442 30.7764 181.1886 70 H 5.0517 7.7841 112.7532 53.7317 32.3918 174.0871 71 R 4.4257 8.2700 121.3046 55.5627 32.3903 178.0433 72 L 4.0794 8.5037 120.0082 57.7871 41.5985 179.5363 73 L 3.8120 7.9772 119.9085 58.2072 42.0701 178.4435 74 D 4.3645 8.1439 118.3104 57.6621 40.7138 178.6797 75 E 3.9924 8.1972 118.9183 59.1857 29.2007 179.3633 76 L 3.9402 8.0798 118.7339 57.8372 41.7465 179.1751 77 E 4.0913 8.2015 117.6406 59.1889 29.6347 178.9346 78 R 4.2567 8.3120 119.4277 59.3884 30.1446 180.1018 79 S 4.3597 8.1651 112.0332 58.9889 62.7886 175.7795 *81 E 4.3432 8.1676 123.6124 57.4027 31.4397 178.1997 82 E 4.0636 8.5132 118.5403 59.0097 29.3471 179.2306 83 L 3.9945 8.0459 120.6795 58.0279 42.1527 178.8867 84 V 3.7862 8.0184 117.8159 66.2043 31.4318 177.3644 85 F 4.0446 8.4744 120.2033 61.5730 39.2359 176.7914 86 E 4.0173 8.5728 118.6860 59.1043 29.1677 178.5847 87 F 4.1827 8.1530 117.4364 60.5533 38.9956 177.4280 88 K 4.1266 7.6541 117.0213 59.1628 31.9380 178.7574 89 Q 3.9232 7.5657 118.8440 57.3869 29.4328 176.3122 90 T 3.9551 7.3781 114.4417 62.7668 67.7295 173.4255 91 T 4.4388 8.3857 116.4240 61.3254 69.4037 174.3895 92 F 4.4185 7.9264 120.6536 57.6905 39.7400 175.0885 93 N 4.9438 8.7776 119.5203 53.7689 40.7759 174.5833 94 S 4.9553 8.2131 112.4374 56.5143 65.8140 172.9673 95 I 4.5837 8.9523 127.8146 59.3771 40.1208 175.8740 96 K 4.2429 8.2246 129.0723 53.8444 34.2381 177.0978 *98 G 4.1593 8.4421 110.2072 45.4076 0.0000 175.8069 99 E 4.0448 8.9248 123.2626 57.4407 29.6049 176.2304 100 N 4.9302 7.6412 117.1153 51.9284 40.7715 172.8729 101 Y 5.1323 8.3161 116.5564 56.3540 41.3107 174.9498 102 L 5.1456 9.1265 124.4521 52.7485 44.9895 176.6293 103 S 4.9377 9.2241 117.9156 56.6889 65.0649 175.9298 104 I 4.1232 8.1981 117.6555 61.8890 36.4390 178.3465 *106 E 4.2534 8.3495 121.8312 56.4542 31.4545 178.1320 107 L 3.9177 8.2035 120.0554 57.9737 42.0667 178.6342 108 L 3.8889 8.4508 120.8106 58.1449 41.8648 179.1979 109 G 3.5953 8.0042 105.0115 48.1042 0.0000 175.5259 110 T 3.8535 7.9715 118.2196 66.2518 68.4723 176.7179 111 V 3.4803 7.7508 120.1891 66.1784 31.5453 178.2067 112 I 3.7242 7.6668 119.3649 64.4256 36.8944 178.2143 113 Q 3.9580 8.4231 120.8265 59.3310 28.9001 177.8444 114 H 4.1804 8.5449 119.4520 59.3107 29.9428 177.0155 115 E 4.0589 8.2801 120.4926 59.3770 29.2260 179.5368 116 G 3.4865 8.1205 105.5806 47.8188 0.0000 175.5060 117 I 3.6422 7.9540 122.9136 64.6315 37.2037 178.3501 118 H 4.7132 7.9406 117.8802 58.2787 28.3747 177.9205 119 Q 4.2873 8.3568 120.2812 59.0270 28.3856 179.1914 120 G 3.5143 8.2439 106.9085 47.7041 0.0000 175.6087 121 Q 4.0465 8.2603 120.5248 59.2611 28.8051 178.8090 122 Y 4.0516 8.4815 117.0213 60.2520 38.0045 177.1926 123 Y 4.4143 8.6936 121.5735 61.0962 38.7622 178.6914 124 V 3.4997 7.8288 118.6493 65.8905 31.6919 177.8178 125 A 3.8880 7.9431 120.5480 55.0663 18.1693 179.6599 126 L 4.0004 8.2211 119.2150 57.3204 41.4143 179.8141 127 K 3.8457 7.7174 118.1959 59.6935 31.7503 179.4985 128 Q 4.0011 8.1621 117.5924 58.3414 29.0195 177.9914 129 S 4.5133 8.2219 113.7164 58.0952 63.2868 175.3164 130 G 3.7843 7.5413 110.3386 46.2565 0.0000 172.9817 131 I 4.3984 7.4673 119.9013 58.7848 38.7344 175.8502 132 N 4.4550 8.5369 122.5157 53.1182 39.0514 175.0980 133 L 4.0589 8.1426 121.3885 53.5534 42.7610 175.3505 134 P 4.1968 0.0000 0.0000 62.4448 32.0035 177.6366 135 K 3.9652 9.5299 123.5049 59.9746 31.9819 179.2706 136 Q 4.1783 8.1768 117.7795 58.8429 28.6767 178.7385 137 W 4.4677 8.5020 120.1689 59.6837 28.9300 178.8308 138 V 3.8006 8.0200 116.9682 66.1157 31.1466 177.7624 139 Q 4.2241 8.2181 116.6018 59.2227 28.8251 177.9861 140 D 4.5575 8.2059 118.5173 56.2875 41.0280 176.5705 141 W 4.4655 8.3608 122.8529 56.8030 29.8827 174.9785 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 0 G 8.35 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 *2 D 8.52 4.24 0.00 2.64 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 3 T 8.10 4.36 4.23 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 1.21 0.00 0.00 4 N 8.60 4.47 0.00 2.87 2.94 0.00 0.00 6.91 6.97 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 5 G 8.00 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 6 V 7.62 3.56 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 1.20 0.00 0.00 0.60 0.00 0.00 7 L 8.12 3.96 0.00 1.92 1.90 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.07 4.00 0.00 3.11 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 9 A 7.92 4.09 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 10 A 8.27 4.32 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 11 N 8.30 4.49 0.00 2.95 2.79 0.00 0.00 7.20 7.09 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 *13 T 7.91 4.48 4.43 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 1.25 0.00 0.00 14 N 8.34 4.22 0.00 2.82 2.78 0.00 0.00 6.95 8.83 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 15 A 7.96 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 16 L 7.92 3.71 0.00 1.86 1.81 1.04 0.13 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 17 A 7.35 3.80 0.32 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 18 K 7.71 4.11 0.00 1.90 1.88 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 19 E 8.07 4.49 0.00 1.99 1.87 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 2.21 2.23 0.00 20 I 7.81 4.20 2.24 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 1.35 0.63 1.10 0.00 0.00 21 P 0.00 4.29 0.00 2.15 2.14 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 22 E 8.26 2.00 0.00 1.16 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 1.47 1.47 0.00 23 S 7.80 4.15 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.94 4.48 0.00 2.06 1.94 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.47 7.81 25 W 8.14 4.63 0.00 3.48 3.15 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 26 D 7.81 4.99 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.42 3.80 2.00 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 1.20 0.50 0.92 0.00 0.00 28 Q 8.49 4.19 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 29 L 8.48 4.17 0.00 1.63 1.69 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.18 4.72 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.90 0.00 0.00 31 P 0.00 4.29 0.00 2.18 2.21 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 32 E 8.01 4.16 0.00 1.89 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 2.28 2.36 0.00 33 L 7.29 4.81 0.00 1.35 1.34 0.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.53 3.81 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 0.00 35 T 8.20 4.19 4.43 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 1.24 0.00 0.00 36 L 8.29 3.19 0.00 1.35 0.53 0.95 0.38 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 37 R 7.88 3.60 0.00 2.13 1.94 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 38 K 7.83 3.91 0.00 1.95 1.80 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 39 L 7.71 3.77 0.00 1.22 1.07 0.66 0.02 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 40 F 7.62 4.40 0.00 2.96 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 41 I 7.94 3.74 2.02 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 1.45 1.05 0.93 0.00 0.00 42 H 8.34 4.18 0.00 3.28 3.53 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 43 I 8.15 3.68 1.91 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 1.61 0.85 0.94 0.00 0.00 44 V 7.81 3.55 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 1.02 0.00 0.00 0.99 0.00 0.00 45 R 7.99 3.83 0.00 2.00 2.12 0.00 3.19 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 46 V 8.03 3.44 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 0.65 0.00 0.00 0.82 0.00 0.00 47 R 8.28 4.11 0.00 2.05 2.04 0.00 3.22 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 1.81 1.91 0.00 48 D 8.22 4.29 0.00 2.78 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 49 V 7.65 3.28 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 -0.16 0.00 0.00 0.65 0.00 0.00 50 Y 7.61 4.21 0.00 3.15 2.78 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 51 R 8.25 3.77 0.00 1.93 2.05 0.00 3.19 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 52 D 8.39 4.38 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 53 G 7.99 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 3.97 0.00 1.62 1.60 -0.21 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.76 4.27 0.00 1.84 1.97 0.00 1.72 0.00 0.00 1.98 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 56 T 8.15 4.58 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 1.24 0.00 0.00 57 G 8.65 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 0.00 0.00 0.00 58 S 7.39 4.82 0.00 3.89 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 59 I 8.70 4.06 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.70 0.00 0.00 60 K 7.76 4.44 0.00 1.55 1.62 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.47 7.81 61 F 7.83 4.35 0.00 3.04 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 62 P 0.00 4.57 0.00 2.23 2.24 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 63 G 8.06 3.77 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 0.00 0.00 0.00 64 R 8.06 4.55 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 65 L 8.26 4.09 0.00 1.61 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.27 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.57 4.19 0.00 3.89 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 68 D 8.79 4.74 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.10 4.37 0.00 2.00 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 2.19 2.13 0.00 70 H 7.78 5.05 0.00 3.07 3.21 0.00 5.86 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 71 R 8.27 4.43 0.00 1.91 1.94 0.00 3.14 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 72 L 8.50 4.08 0.00 1.92 1.65 1.13 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.98 3.81 0.00 1.79 1.70 0.82 1.28 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 74 D 8.14 4.36 0.00 2.94 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 75 E 8.20 3.99 0.00 2.13 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 2.46 2.53 0.00 76 L 8.08 3.94 0.00 1.57 1.83 0.24 0.86 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 77 E 8.20 4.09 0.00 1.91 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 2.33 2.39 0.00 78 R 8.31 4.26 0.00 1.85 2.06 0.00 3.14 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 1.67 1.60 0.00 79 S 8.17 4.36 0.00 4.07 4.09 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 0.00 0.00 0.00 0.00 *81 E 8.17 4.34 0.00 2.23 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 0.00 2.33 2.46 0.00 82 E 8.51 4.06 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 83 L 8.05 3.99 0.00 1.97 1.84 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.02 3.79 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 1.07 0.00 0.00 1.03 0.00 0.00 85 F 8.47 4.04 0.00 3.16 3.27 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 0.00 86 E 8.57 4.02 0.00 2.41 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 2.50 2.39 0.00 87 F 8.15 4.18 0.00 3.24 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 88 K 7.65 4.13 0.00 1.63 1.74 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.63 7.81 89 Q 7.57 3.92 0.00 1.34 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 90 T 7.38 3.96 4.41 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 1.32 0.00 0.00 91 T 8.39 4.44 4.09 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 0.00 0.00 0.00 1.16 0.00 0.00 92 F 7.93 4.42 0.00 3.11 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 93 N 8.78 4.94 0.00 2.68 2.88 0.00 0.00 6.37 7.57 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 94 S 8.21 4.96 0.00 3.88 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 95 I 8.95 4.58 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.88 0.00 0.00 96 K 8.22 4.24 0.00 1.75 1.58 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 0.47 7.81 *98 G 8.44 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 0.00 0.00 0.00 0.00 99 E 8.92 4.04 0.00 2.09 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 2.26 2.33 0.00 100 N 7.64 4.93 0.00 2.72 2.76 0.00 0.00 6.91 7.48 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 0.00 101 Y 8.32 5.13 0.00 2.82 2.87 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 0.00 102 L 9.13 5.15 0.00 1.60 1.58 0.95 0.71 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 0.00 103 S 9.22 4.94 0.00 3.93 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 0.00 104 I 8.20 4.12 1.97 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 1.50 1.07 1.16 0.00 0.00 *106 E 8.35 4.25 0.00 2.32 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 2.32 2.33 0.00 107 L 8.20 3.92 0.00 1.79 1.96 0.72 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.45 3.89 0.00 1.47 1.51 0.34 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.97 3.85 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 1.20 0.00 0.00 111 V 7.75 3.48 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 1.17 0.00 0.00 0.67 0.00 0.00 112 I 7.67 3.72 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 1.41 0.63 0.94 0.00 0.00 113 Q 8.42 3.96 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 114 H 8.54 4.18 0.00 3.45 3.64 0.00 5.65 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 0.00 115 E 8.28 4.06 0.00 2.18 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 2.66 2.53 0.00 116 G 8.12 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 0.00 0.00 0.00 117 I 7.95 3.64 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.80 0.00 0.00 118 H 7.94 4.71 0.00 3.22 3.39 0.00 5.63 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 0.00 119 Q 8.36 4.29 0.00 1.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 120 G 8.24 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.26 4.05 0.00 2.42 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 122 Y 8.48 4.05 0.00 3.45 3.15 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 0.00 123 Y 8.69 4.41 0.00 3.33 3.30 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 0.00 124 V 7.83 3.50 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 1.04 0.00 0.00 1.11 0.00 0.00 125 A 7.94 3.89 1.13 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 0.00 0.00 126 L 8.22 4.00 0.00 1.67 1.87 0.78 0.63 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 0.00 127 K 7.72 3.85 0.00 1.73 1.71 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.06 0.90 7.81 128 Q 8.16 4.00 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 129 S 8.22 4.51 0.00 4.05 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 0.00 130 G 7.54 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 0.00 131 I 7.47 4.40 1.86 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 1.30 0.66 0.91 0.00 0.00 132 N 8.54 4.46 0.00 2.69 2.74 0.00 0.00 7.10 7.85 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 0.00 133 L 8.14 4.06 0.00 1.70 1.62 1.31 1.06 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 0.00 134 P 0.00 4.20 0.00 1.62 1.70 0.00 2.39 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.55 0.00 135 K 9.53 3.97 0.00 1.97 1.98 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.55 7.81 136 Q 8.18 4.18 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 137 W 8.50 4.47 0.00 3.63 3.37 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 0.00 138 V 8.02 3.80 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 0.97 0.00 0.00 1.06 0.00 0.00 139 Q 8.22 4.22 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 140 D 8.21 4.56 0.00 3.22 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 0.00 141 W 8.36 4.47 0.00 3.25 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 * Residues marked with a * may have inaccurate shift predictions.