NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2385 8.2876 121.6640 55.9320 31.2872 174.4075 6 W 5.7338 7.7175 122.9426 53.4800 32.0677 170.6531 7 E 4.8008 10.1457 117.3837 55.1210 32.9127 176.3229 8 S 5.1282 9.1713 119.2789 59.3048 63.6482 173.6935 9 I 4.5355 8.8312 124.9650 60.4278 38.7882 175.5567 10 T 4.4776 8.1450 118.8466 59.8722 69.8321 171.9686 11 P 4.5234 0.0000 0.0000 61.3355 32.2870 174.3921 12 P 4.4245 0.0000 0.0000 62.8286 32.2509 176.0905 13 V 3.8530 7.9603 122.8605 61.6697 31.7940 176.2107 14 V 3.5722 8.4093 128.1743 63.1373 32.2544 175.1572 15 D 4.2567 8.2828 121.6586 55.3772 39.0566 172.2816 16 A 4.9595 7.3340 121.8426 49.0783 22.6630 174.5824 17 P 4.4533 0.0000 0.0000 62.5444 32.2123 176.6310 18 A 4.2780 8.6780 121.7170 55.0292 19.3331 177.9690 19 V 4.9454 7.9884 113.4769 61.4545 35.0408 174.8141 20 V 5.2528 8.9795 126.7310 60.1165 35.0532 173.5179 21 E 5.2248 8.5847 128.1156 54.3469 31.8500 174.7400 22 F 5.0352 9.5774 127.4132 57.7598 40.5265 174.7954 23 F 5.3648 9.6536 117.7419 56.0698 42.0974 172.8018 24 S 3.8017 8.1031 110.9187 56.8143 65.4223 174.2105 25 F 4.4510 8.4960 123.8135 57.9696 38.5457 175.7025 26 Y 4.5746 7.8644 116.7655 57.5899 38.9880 175.3450 27 C 4.7914 7.7683 121.7009 56.8891 33.7141 171.8656 28 P 4.3847 0.0000 0.0000 65.3055 31.1822 176.7741 29 P 4.3755 0.0000 0.0000 65.1467 31.1070 178.1617 30 C 4.0125 7.9118 117.0617 62.9669 28.1583 174.6940 31 Y 3.0014 7.9000 120.4945 60.4185 38.3821 177.9580 32 A 3.5132 7.9105 121.2729 55.2139 18.5347 179.2452 33 F 3.9744 8.3684 116.5591 60.8892 38.8303 177.6207 34 S 4.5652 7.8312 110.0872 59.0564 62.6979 174.3670 35 Q 4.3789 7.8056 117.1584 55.2505 30.3991 175.7549 36 T 4.1788 7.4707 112.5707 63.5049 70.1761 174.5046 *38 G 3.6725 7.6521 110.5835 45.3145 0.0000 175.6315 39 V 3.2517 8.1730 120.8008 65.8256 31.6883 176.2292 40 D 4.3692 7.9839 118.0533 57.4948 40.6944 178.6959 41 Q 3.8788 7.9570 119.1337 59.2468 28.9554 178.1132 42 A 4.0761 7.5560 119.8057 54.5788 18.7620 179.2118 43 I 3.9173 7.6724 118.7378 64.1831 37.3644 178.4357 44 R 3.9355 8.2231 119.2462 59.6089 29.6753 178.5329 45 H 4.2683 7.9976 116.2994 58.4189 29.8955 176.6471 46 V 4.0840 7.1581 111.6564 60.0256 32.0213 175.9421 47 L 4.1305 7.3072 120.6516 53.8290 42.1898 175.4910 48 P 4.4404 0.0000 0.0000 61.8702 32.1105 175.8765 49 Q 4.1689 8.4132 120.2913 57.8152 28.9521 177.0649 50 G 3.9841 9.0946 111.2550 45.3254 0.0000 173.6458 51 S 4.7568 7.5691 114.9444 57.9020 65.2390 173.8400 52 R 4.3101 7.7058 122.5378 55.4938 34.8056 175.1259 *54 V 4.1142 8.3981 117.4085 62.2059 33.3322 174.5636 55 K 5.4249 8.3447 122.1560 54.1974 34.9457 175.0549 56 Y 5.2260 8.0484 120.2754 56.3375 41.0550 174.9831 57 H 3.7901 9.6067 124.2266 55.8020 31.1182 174.6822 58 V 4.3751 7.0858 121.4899 60.0022 32.7103 176.2063 59 S 4.5527 8.4615 121.1677 60.2283 63.0657 175.7744 60 L 4.0684 7.4565 117.9319 55.4854 41.7951 176.6018 61 L 4.0662 7.6450 119.7243 54.4813 42.4633 178.1327 62 G 2.7783 8.2473 113.4509 43.4751 0.0000 170.7343 63 P 4.0476 0.0000 0.0000 66.2048 31.7100 177.6963 64 L 4.4706 8.5568 115.2183 55.0659 42.2226 179.4461 65 G 4.4965 7.8865 110.0797 48.1678 0.0000 175.8621 66 H 4.3929 8.1306 118.2003 58.2001 28.7706 177.5894 67 E 4.0872 8.1576 120.1108 59.4149 29.3104 179.2151 68 L 4.1542 8.8376 119.6259 58.0396 41.7476 179.6238 69 T 4.1480 7.8497 115.2893 66.3589 68.4387 176.4863 70 R 4.1137 8.3404 120.5806 58.8000 29.9360 178.2315 71 A 4.1223 7.7384 119.9753 54.9926 18.7546 179.1300 72 W 4.5474 9.0981 127.1322 60.6148 30.6368 177.8742 73 A 4.0870 7.9709 119.2961 55.3161 17.8854 178.8289 74 L 4.0896 7.9832 117.2572 58.2183 42.3842 179.5927 75 A 4.2681 7.9732 119.6120 52.1633 18.1659 178.2457 *77 V 3.8902 7.6407 118.1469 64.3222 32.9975 175.4182 *79 K 4.0657 7.8820 115.5126 56.4131 32.9502 175.1936 80 E 4.6779 8.4076 113.9289 55.9861 30.7851 178.8381 81 T 3.4742 7.6444 110.7067 64.0544 69.9295 176.1410 82 D 4.7053 8.0004 117.5358 54.3702 41.1633 176.3715 83 V 4.3183 7.6160 110.9982 62.1229 34.1358 176.9500 84 I 4.0388 7.2776 116.5699 61.5278 37.4965 177.2895 85 E 4.7582 8.6052 121.7465 59.4188 29.2543 178.2086 86 K 4.3926 8.3718 118.9855 59.6276 32.4852 177.9232 87 A 4.2057 7.8977 119.2463 53.8007 17.7033 178.3581 88 F 5.1373 8.2048 114.5303 57.4005 41.1972 176.7400 89 F 4.5181 8.5244 116.8697 59.0519 39.2301 175.8178 90 T 4.3608 8.0449 116.6946 64.9693 69.3117 175.9752 91 A 5.0193 7.3217 120.7715 51.7455 19.0624 178.1448 92 G 3.8370 7.5797 104.0399 45.5258 0.0000 175.3934 *94 V 3.9528 7.8259 118.7768 62.1763 33.2116 175.5905 95 E 4.4224 7.8336 115.0611 54.9217 31.1709 175.1208 96 K 4.2766 8.0207 118.7993 56.9252 30.1613 176.8297 97 R 4.5351 7.6559 113.2770 55.4990 30.2114 177.7841 98 L 4.4703 7.1471 116.8174 53.7999 42.9167 176.0594 99 H 4.8994 8.7403 118.5943 55.5880 32.0861 174.3296 100 S 4.8840 8.0424 112.4300 55.5843 65.2177 173.1572 101 P 4.3917 0.0000 0.0000 63.9623 30.9398 176.9220 102 D 4.8398 7.7960 117.8620 54.8404 42.4971 177.6686 103 D 4.2820 8.1243 119.8098 57.8487 40.7125 177.8494 104 V 4.0212 8.0784 117.8611 65.9770 31.0896 177.4022 105 R 3.3170 7.8645 120.3653 58.9026 30.0863 178.4849 106 R 3.9364 8.3055 116.5777 59.2350 30.1919 178.8009 107 V 3.6685 8.3097 117.6545 66.0236 32.0384 177.7151 108 F 3.4187 8.0653 119.5883 59.9651 39.5181 176.4565 *110 S 4.3789 7.9654 110.9521 57.9027 64.5622 174.1173 111 A 4.6082 7.5423 120.6380 51.8980 19.4658 176.1672 112 T 4.3702 7.6332 105.6918 61.1112 69.2627 176.8322 113 G 4.0036 8.3284 110.3546 46.8179 0.0000 174.8741 114 I 3.8648 7.5154 120.2470 61.3092 36.6894 176.2787 115 S 4.5851 8.2700 117.8637 57.2147 64.9065 174.5548 116 R 4.1288 8.5081 119.3485 58.6815 30.0720 178.2953 117 G 3.8434 8.1214 104.2917 47.2367 0.0000 175.3859 118 E 3.7597 7.6540 122.5098 58.8469 29.4994 178.3182 119 Y 3.9701 7.5207 116.8131 60.7454 38.8207 177.4581 120 D 4.4278 7.5953 117.1278 56.0856 40.9632 177.6358 121 R 4.2424 7.2736 118.7878 57.8315 31.0116 177.6004 122 S 4.3026 7.8067 115.0014 60.4164 62.8776 176.1629 123 I 3.4087 7.1487 114.8223 63.2673 37.1324 177.6485 124 K 4.5324 7.6584 118.4033 55.5204 32.8350 177.0799 125 S 4.5369 7.7881 113.6806 57.0509 65.9201 172.1564 126 P 4.2009 0.0000 0.0000 65.2580 30.7549 178.7807 127 A 4.1569 7.7564 118.6391 54.8244 19.0016 179.2935 128 V 3.7203 7.3310 115.2856 65.8096 31.8036 177.6514 129 N 4.5484 8.3827 116.7427 56.2716 38.2553 177.5933 130 D 4.6586 7.5131 116.4528 54.8512 40.5817 178.5985 *132 V 4.0117 7.7686 119.5389 63.0098 33.5422 176.9961 133 A 4.0033 8.1928 121.3536 55.2685 18.0930 179.0905 134 L 3.8444 8.2295 118.8021 58.6691 42.2073 179.2880 135 Q 3.9438 8.0724 117.1368 58.9581 28.4914 178.6062 136 E 4.0159 8.2839 118.6766 59.3851 29.8662 179.0850 137 R 4.0795 8.5289 118.9101 59.7093 30.2533 178.6738 138 L 4.1331 8.5658 118.9337 57.5989 41.4653 179.2151 139 F 3.9724 8.5669 120.6110 60.7486 38.8716 176.8962 140 K 4.0990 8.1843 117.7515 58.3402 32.1181 178.8360 141 E 3.8429 7.9759 117.6175 59.1100 29.5514 177.3519 142 Y 3.8555 7.6696 114.5770 57.4694 38.5752 175.1288 143 G 3.5946 7.2322 107.2171 46.2558 0.0000 174.7019 144 V 3.7024 6.9132 116.6410 61.8075 32.0356 175.5502 145 R 4.4383 8.2284 122.1705 55.2622 30.2928 175.1635 146 G 4.0399 6.9734 106.6371 46.0760 0.0000 172.2366 147 T 4.8542 8.2250 108.4350 58.8521 71.4625 172.0108 148 P 4.6598 0.0000 0.0000 62.6704 32.5763 176.0300 149 S 4.5034 8.9769 117.3543 56.8973 65.5029 172.4456 150 V 5.0876 8.2937 127.5056 61.3888 33.7685 173.7295 151 Y 5.2965 9.5780 125.2824 56.2337 41.4679 174.4779 152 V 4.4708 9.1567 124.4425 61.8543 33.6915 175.9527 153 R 3.6416 9.6181 125.6179 56.7529 28.4000 176.3492 154 G 4.2449 8.4219 104.2286 46.7060 0.0000 175.9908 155 R 4.3086 7.8646 117.1325 55.9426 35.3497 174.4122 156 Y 5.4955 8.0947 116.6994 56.4162 41.2016 174.5563 157 H 4.8624 10.0321 126.3153 55.3240 31.3215 174.3657 158 I 4.2497 8.2902 127.9523 61.2503 38.1491 175.3819 159 N 4.7009 9.1825 126.7507 52.4387 38.9312 175.2310 160 N 4.9005 9.2280 125.0663 56.6830 38.8879 177.1502 161 A 4.3896 8.0494 117.7894 53.5398 18.4819 177.3681 162 A 4.5502 7.8849 118.0156 51.4602 19.0389 176.7067 163 F 4.8210 8.0067 115.8712 56.6032 41.2054 175.3179 164 G 4.1219 8.9551 114.4094 43.8019 0.0000 172.5822 165 A 4.6962 8.4438 127.9383 50.3012 22.0422 175.9256 166 F 4.7678 8.8616 121.5586 59.2133 39.9448 176.5574 167 S 4.8056 7.7100 114.7599 55.6972 67.1191 174.1442 168 V 3.4625 8.4877 122.1815 66.6557 30.6935 177.6638 169 E 3.8820 8.2704 117.8502 59.9864 29.3623 178.7494 170 N 4.3528 7.9290 115.7649 56.0055 38.6189 176.7002 171 F 3.9960 8.3293 121.4975 61.6648 39.4470 177.4217 172 R 3.3998 8.5434 115.5436 59.8061 29.0224 178.8279 173 S 4.0415 7.5553 115.0707 60.6617 62.6089 176.9536 174 R 3.8987 8.0437 121.1511 59.1832 29.5957 178.2821 175 Y 2.3900 7.6612 119.3671 60.0512 38.4843 178.2025 176 A 3.8562 8.2152 121.7742 54.9623 18.5430 179.4463 177 A 3.9243 8.2542 119.3806 54.5885 18.3777 180.0980 178 V 3.5526 7.3340 117.1944 65.9276 31.4688 178.3018 179 V 3.4368 6.9957 116.6954 65.8224 31.7344 177.4031 180 R 3.9494 8.1151 118.8123 59.4304 29.8472 177.9727 181 K 3.7384 7.9046 119.0417 59.7349 31.9820 178.1861 182 L 3.8250 7.5181 115.5919 55.8179 41.7019 178.0834 183 L 4.3932 7.3050 117.5685 53.8191 42.3615 176.6572 184 A 4.1159 7.1706 122.4378 52.0171 19.0435 177.8740 185 G 3.7760 8.3119 107.5783 46.6101 0.0000 173.2440 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 5 E 8.29 4.24 0.00 1.86 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 2.14 2.20 0.00 6 W 7.72 5.73 0.00 3.59 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 7 E 10.15 4.80 0.00 2.09 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 2.42 2.41 0.00 8 S 9.17 5.13 0.00 3.96 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 9 I 8.83 4.54 2.06 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 0.92 0.00 0.00 10 T 8.14 4.48 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 1.22 0.00 0.00 11 P 0.00 4.52 0.00 2.02 1.92 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 12 P 0.00 4.42 0.00 1.87 2.01 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 13 V 7.96 3.85 1.80 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 0.48 0.00 0.00 -0.17 0.00 0.00 14 V 8.41 3.57 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 0.79 0.00 0.00 0.90 0.00 0.00 15 D 8.28 4.26 0.00 2.76 2.61 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 16 A 7.33 4.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.12 2.06 0.00 3.93 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 2.16 2.21 0.00 18 A 8.68 4.28 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 V 7.99 4.95 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 0.95 0.00 0.00 20 V 8.98 5.25 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 0.81 0.00 0.00 1.00 0.00 0.00 21 E 8.58 5.22 0.00 2.20 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 2.47 2.50 0.00 22 F 9.58 5.04 0.00 3.32 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 23 F 9.65 5.36 0.00 2.93 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 24 S 8.10 3.80 0.00 3.61 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.50 4.45 0.00 2.67 2.54 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 26 Y 7.86 4.57 0.00 2.94 2.86 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 27 C 7.77 4.79 0.00 2.94 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 28 P 0.00 4.38 0.00 2.23 2.13 0.00 3.69 0.00 0.00 4.08 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 29 P 0.00 4.38 0.00 1.88 2.19 0.00 3.69 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 1.93 1.97 0.00 30 C 7.91 4.01 0.00 3.46 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 31 Y 7.90 3.00 0.00 3.32 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 32 A 7.91 3.51 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.37 3.97 0.00 3.14 3.06 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 34 S 7.83 4.57 0.00 3.76 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 35 Q 7.81 4.38 0.00 1.43 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 1.61 2.17 0.00 36 T 7.47 4.18 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 1.09 0.00 0.00 *38 G 7.65 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.17 3.25 1.73 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 0.39 0.00 0.00 0.17 0.00 0.00 40 D 7.98 4.37 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.96 3.88 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 42 A 7.56 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.67 3.92 1.98 0.00 0.00 1.00 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 1.21 0.91 0.00 0.00 44 R 8.22 3.94 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 45 H 8.00 4.27 0.00 3.19 3.48 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.16 4.08 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 0.87 0.00 0.00 0.97 0.00 0.00 47 L 7.31 4.13 0.00 1.81 1.60 0.87 0.94 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 48 P 0.00 4.44 0.00 2.17 1.94 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 49 Q 8.41 4.17 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 50 G 9.09 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 51 S 7.57 4.76 0.00 4.07 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 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0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 133 A 8.19 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 0.00 134 L 8.23 3.84 0.00 1.91 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.07 3.94 0.00 2.40 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 136 E 8.28 4.02 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 2.65 2.50 0.00 137 R 8.53 4.08 0.00 1.90 2.19 0.00 3.10 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 138 L 8.57 4.13 0.00 1.81 2.16 0.77 1.08 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 0.00 139 F 8.57 3.97 0.00 3.50 3.39 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 0.00 140 K 8.18 4.10 0.00 2.03 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.65 7.81 141 E 7.98 3.84 0.00 1.76 1.73 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 2.23 2.47 0.00 142 Y 7.67 3.86 0.00 2.39 1.70 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 0.00 143 G 7.23 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 0.00 144 V 6.91 3.70 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 0.90 0.00 0.00 -0.03 0.00 0.00 145 R 8.23 4.44 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 146 G 6.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.23 4.85 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 148 P 0.00 4.66 0.00 1.47 1.99 0.00 3.39 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.54 0.00 149 S 8.98 4.50 0.00 4.21 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 0.00 150 V 8.29 5.09 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 1.19 0.00 0.00 1.23 0.00 0.00 151 Y 9.58 5.30 0.00 2.87 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 0.00 152 V 9.16 4.47 2.30 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 1.15 0.00 0.00 0.96 0.00 0.00 153 R 9.62 3.64 0.00 2.01 2.00 0.00 3.40 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 154 G 8.42 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 0.00 155 R 7.86 4.31 0.00 0.96 0.66 0.00 2.76 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 156 Y 8.09 5.50 0.00 2.86 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 0.00 157 H 10.03 4.86 0.00 3.30 3.30 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.29 4.25 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.71 0.00 0.00 159 N 9.18 4.70 0.00 2.97 2.86 0.00 0.00 6.86 7.28 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 0.00 160 N 9.23 4.90 0.00 3.01 3.25 0.00 0.00 6.95 7.54 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 0.00 161 A 8.05 4.39 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 0.00 162 A 7.88 4.55 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 0.00 0.00 0.00 0.00 0.00 163 F 8.01 4.82 0.00 3.38 3.09 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 0.00 164 G 8.96 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 0.00 0.00 0.00 0.00 165 A 8.44 4.70 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.86 4.77 0.00 2.99 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 0.00 167 S 7.71 4.81 0.00 4.02 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 0.00 168 V 8.49 3.46 2.08 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 1.08 0.00 0.00 0.90 0.00 0.00 169 E 8.27 3.88 0.00 2.06 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 2.37 2.43 0.00 170 N 7.93 4.35 0.00 3.18 2.83 0.00 0.00 6.62 8.01 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 0.00 171 F 8.33 4.00 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.54 3.40 0.00 1.89 2.17 0.00 2.77 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 173 S 7.56 4.04 0.00 3.91 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 0.00 174 R 8.04 3.90 0.00 1.74 2.13 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 175 Y 7.66 2.39 0.00 1.62 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 0.00 0.00 0.00 0.00 176 A 8.22 3.86 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 0.00 177 A 8.25 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 7.33 3.55 2.27 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 1.07 0.00 0.00 1.27 0.00 0.00 179 V 7.00 3.44 2.08 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 0.80 0.00 0.00 0.77 0.00 0.00 180 R 8.12 3.95 0.00 1.94 2.05 0.00 3.12 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 181 K 7.90 3.74 0.00 1.86 1.89 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.40 7.81 182 L 7.52 3.82 0.00 1.54 1.32 0.38 -1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.31 4.39 0.00 1.83 1.67 0.94 0.70 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 0.00 184 A 7.17 4.12 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 8.31 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 * Residues marked with a * may have inaccurate shift predictions.