NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.6771 8.1833 119.3500 57.4703 41.3010 173.2794 3 Y 4.8119 8.7318 119.7809 55.3905 41.0089 170.7578 4 E 5.1072 10.5811 127.8882 54.7928 32.4404 174.1559 5 I 4.9149 9.1439 128.2167 59.7922 40.0001 174.5546 6 R 5.0288 8.6202 126.7928 54.6409 32.5154 175.4904 7 T 4.9267 8.8830 120.2926 61.9656 71.7482 172.6786 8 Y 5.3600 8.9023 124.0011 56.1668 42.1214 174.6660 9 R 4.9518 9.2146 123.0674 54.8089 32.2510 175.5672 10 L 4.8853 8.8541 127.2123 53.0611 43.6921 176.5309 11 K 4.2579 8.8798 121.9988 55.7920 33.3529 175.5894 12 N 4.4848 8.7682 125.0468 56.0933 38.8887 174.7817 13 G 3.9343 9.3899 114.2600 45.5917 0.0000 173.9209 14 A 4.3403 8.2289 121.2872 52.8984 18.7873 179.5201 15 I 3.6825 7.8135 118.8168 64.0259 37.3375 176.1988 16 P 4.1608 0.0000 0.0000 65.5335 31.3049 178.5222 17 A 3.9998 7.9601 118.9834 55.1959 18.4107 178.7352 18 Y 3.9557 8.3052 118.1793 61.1070 38.9703 178.5150 19 L 4.0562 8.5652 120.1288 57.4215 41.5360 179.6491 20 K 3.9093 7.9772 119.7476 59.4965 32.2291 179.4053 21 V 3.6738 7.7007 119.2722 64.5204 31.3482 178.6355 22 V 3.5027 7.7305 119.0312 65.7453 31.1737 177.6037 23 E 3.8087 7.7600 117.6663 59.5397 29.5844 178.2863 24 D 4.5318 8.2205 117.8764 56.5590 41.0227 176.9546 25 E 4.6112 8.6159 115.0098 54.5948 32.2426 176.6503 26 G 2.9958 7.3143 104.5521 45.4766 0.0000 174.9479 27 I 3.7982 7.9659 121.2614 64.0511 37.9334 177.8848 28 E 3.9921 8.0448 118.8027 59.4200 29.0266 179.1394 29 I 3.7190 7.6919 119.3779 64.4538 37.2060 178.1385 30 Q 3.3116 8.2593 120.4180 59.0090 28.9997 178.4316 31 K 4.3994 8.6461 120.2726 59.3660 31.8900 179.3801 32 S 4.2317 8.0911 113.4669 60.5799 62.9362 175.3198 33 H 4.5892 7.1351 118.3489 57.8805 29.6590 176.9639 34 L 4.2512 7.9132 119.4629 54.5687 41.5415 177.9639 35 G 4.0148 8.6947 108.1784 43.6825 0.0000 174.4258 36 E 4.5319 9.1293 124.2505 54.2535 32.5090 175.7454 37 L 3.2733 8.2194 127.6725 54.2717 42.2405 176.4299 38 V 3.8407 8.5033 127.2503 65.0913 32.5315 176.2541 39 G 3.7391 6.9790 103.3881 45.5008 0.0000 172.2531 40 Y 4.6168 7.5691 122.5093 55.7293 41.2367 174.0695 41 F 5.4658 9.4188 125.7154 55.6022 43.3376 174.2540 42 F 5.6816 8.2470 114.6348 54.7287 40.8111 174.8177 43 S 4.2946 8.8025 115.4855 59.5093 63.1578 172.9804 44 E 4.6617 8.6649 119.2047 57.1648 34.0617 175.3329 45 I 4.5348 8.0488 118.6618 60.5006 40.8818 172.9281 46 G 3.9909 8.8204 114.0841 43.2470 0.0000 172.6196 47 P 4.3115 0.0000 0.0000 62.6663 31.7520 175.8192 48 I 4.2740 8.1780 123.6241 61.4031 38.7041 174.8349 49 N 4.3089 8.7259 117.9879 54.7374 35.7302 173.1360 50 E 5.2620 8.1104 117.9893 54.5359 32.6932 174.4070 51 I 5.1794 8.6170 126.0760 59.5514 40.9124 174.7595 52 V 4.8323 9.0771 126.2012 61.4620 34.7112 173.6890 53 H 5.0407 8.7135 122.9882 53.6145 32.0133 172.3869 54 I 5.2014 8.4840 121.1493 59.4062 40.5721 174.5195 55 W 5.0498 9.2692 125.4648 54.7140 32.7757 174.0523 56 A 4.7118 8.1550 125.4862 50.2003 20.1503 176.3329 57 F 4.9121 8.8891 120.8729 55.4495 41.8544 175.8303 58 S 4.3551 9.1752 118.0130 61.0900 63.3195 174.8456 59 S 4.9117 7.7016 113.8134 55.7197 67.1630 174.6689 60 L 3.7256 7.7333 121.6699 57.3407 41.3975 179.2201 61 D 4.3150 7.8038 118.5577 56.7561 40.7957 177.9878 62 D 4.2932 7.7838 118.5467 56.9704 41.1282 178.1362 63 R 2.9568 7.6566 119.0923 59.0492 29.9615 178.2677 64 A 3.7839 7.6951 120.4322 55.0307 18.3939 179.2260 65 E 3.7759 8.0020 117.6288 59.5371 29.7873 179.3251 66 R 3.9107 8.1611 118.4204 59.3990 29.9322 179.3717 67 R 3.7842 7.9540 116.7532 58.7403 30.0203 178.6637 68 A 4.0842 7.6065 120.2936 55.0900 18.5919 179.5922 69 R 4.0352 7.7925 116.2215 58.9233 29.8705 179.5317 70 L 3.5631 7.3606 117.1665 55.1820 41.9977 177.5755 *72 A 4.2512 7.9979 121.3690 51.2421 20.6417 177.2282 73 D 4.4463 7.6999 116.2836 53.6395 41.5063 175.2628 74 P 4.4319 0.0000 0.0000 65.7659 30.8445 178.4863 75 R 4.0930 8.8227 118.7575 58.6308 29.8993 178.5798 76 W 4.4166 8.4622 128.5586 60.5177 30.5383 178.2079 77 L 3.9168 8.0163 117.4459 57.6521 41.1784 179.0600 78 S 4.2812 7.7565 113.9260 60.6085 63.1052 176.0242 79 F 4.2899 7.7457 123.3056 60.9036 39.2908 177.2774 80 L 3.1488 7.3477 118.9180 57.3652 41.2234 177.9151 81 P 4.1697 0.0000 0.0000 64.7010 31.3003 177.9255 82 K 4.1041 7.7127 116.5607 57.3166 32.4506 177.1689 83 I 4.5118 7.3403 110.3650 59.7075 39.0084 177.1965 84 R 3.7511 7.9394 121.0856 59.0729 29.8392 176.4011 85 D 4.7483 7.8095 114.1391 54.1164 41.7819 176.8663 86 L 4.2516 7.7879 120.1836 56.0492 42.2677 176.5015 87 I 4.4886 7.5710 119.4763 60.2742 37.9719 174.7788 88 E 4.3806 9.3663 125.7777 58.0250 31.0004 176.4819 89 V 4.6637 7.6421 117.7612 61.1536 35.2150 173.7570 90 A 5.6204 8.5465 126.6018 50.6400 22.6734 174.5810 91 E 4.9865 8.5508 114.3839 55.9661 32.3092 174.3169 92 N 5.7604 8.7880 117.4568 51.4906 40.9794 173.4077 93 K 4.7753 9.0586 118.0164 55.7800 36.4319 175.1857 94 I 5.3498 8.1957 121.6863 59.0695 39.7171 175.2297 *96 K 4.1448 8.3570 122.3177 55.5589 33.0683 174.3062 97 P 4.1811 0.0000 0.0000 62.0827 32.3558 176.2431 98 A 3.9317 7.8369 123.3435 51.5343 18.9347 178.7628 99 R 3.7864 8.0815 118.9066 58.7242 30.2197 177.9249 100 F 4.7853 6.7604 110.6958 56.3775 38.1851 175.1568 101 S 4.4756 7.4802 116.0341 57.1206 63.0330 172.4733 102 P 4.3834 0.0000 0.0000 65.5564 31.4489 176.4208 103 L 4.2297 7.6735 121.0452 54.9844 41.5583 176.6617 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 2 F 8.18 4.68 0.00 3.32 3.16 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 3 Y 8.73 4.81 0.00 3.09 2.93 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 4 E 10.58 5.11 0.00 2.26 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 0.00 2.41 2.40 0.00 5 I 9.14 4.91 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.93 0.00 0.00 6 R 8.62 5.03 0.00 1.23 1.63 0.00 3.25 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 7 T 8.88 4.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 Y 8.90 5.36 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 9 R 9.21 4.95 0.00 1.86 1.81 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 10 L 8.85 4.89 0.00 1.50 1.71 0.59 0.76 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 11 K 8.88 4.26 0.00 1.77 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81 12 N 8.77 4.48 0.00 2.71 2.76 0.00 0.00 7.29 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.39 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 14 A 8.23 4.34 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 15 I 7.81 3.68 1.90 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 1.66 0.69 0.82 0.00 0.00 16 P 0.00 4.16 0.00 2.15 2.07 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 17 A 7.96 4.00 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 18 Y 8.31 3.96 0.00 3.13 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 19 L 8.57 4.06 0.00 1.66 1.65 0.37 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.98 3.91 0.00 1.97 1.91 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.42 7.81 21 V 7.70 3.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.07 0.00 0.00 22 V 7.73 3.50 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 0.77 0.00 0.00 0.59 0.00 0.00 23 E 7.76 3.81 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 24 D 8.22 4.53 0.00 2.71 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 25 E 8.62 4.61 0.00 2.01 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 2.24 2.26 0.00 26 G 7.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.80 1.79 0.00 0.00 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 1.47 1.44 0.88 0.00 0.00 28 E 8.04 3.99 0.00 2.00 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 2.37 2.33 0.00 29 I 7.69 3.72 2.17 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 1.58 0.87 1.09 0.00 0.00 30 Q 8.26 3.31 0.00 1.94 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 31 K 8.65 4.40 0.00 2.05 1.96 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.74 1.95 7.81 32 S 8.09 4.23 0.00 3.96 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 33 H 7.14 4.59 0.00 3.03 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.91 4.25 0.00 1.18 1.46 -0.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.69 4.01 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 36 E 9.13 4.53 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 37 L 8.22 3.27 0.00 0.56 1.17 -0.31 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.50 3.84 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.01 0.00 0.00 39 G 6.98 3.74 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 0.00 0.00 0.00 40 Y 7.57 4.62 0.00 2.72 2.59 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 41 F 9.42 5.47 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.25 5.68 0.00 3.10 3.10 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 0.00 0.00 0.00 43 S 8.80 4.29 0.00 3.99 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 44 E 8.66 4.66 0.00 1.77 1.84 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 2.14 2.36 0.00 45 I 8.05 4.53 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.90 0.00 0.00 46 G 8.82 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 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.07 2.03 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 48 I 8.18 4.27 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 1.44 0.71 0.95 0.00 0.00 49 N 8.73 4.31 0.00 2.95 3.07 0.00 0.00 6.46 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 50 E 8.11 5.26 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 51 I 8.62 5.18 1.84 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.29 1.04 0.00 0.00 52 V 9.08 4.83 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 1.09 0.00 0.00 0.95 0.00 0.00 53 H 8.71 5.04 0.00 2.66 1.63 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.48 5.20 1.83 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 1.27 0.94 1.13 0.00 0.00 55 W 9.27 5.05 0.00 3.24 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 56 A 8.15 4.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.89 4.91 0.00 2.94 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 58 S 9.18 4.36 0.00 4.04 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 59 S 7.70 4.91 0.00 4.03 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 60 L 7.73 3.73 0.00 1.32 1.43 0.59 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.80 4.31 0.00 2.62 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 62 D 7.78 4.29 0.00 2.83 2.89 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 63 R 7.66 2.96 0.00 0.83 1.60 0.00 2.63 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 64 A 7.70 3.78 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 65 E 8.00 3.78 0.00 2.26 1.95 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 2.27 2.31 0.00 66 R 8.16 3.91 0.00 1.98 2.08 0.00 3.54 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 67 R 7.95 3.78 0.00 1.63 1.85 0.00 2.94 0.00 0.00 2.98 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 68 A 7.61 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.79 4.04 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 70 L 7.36 3.56 0.00 1.26 1.43 -0.34 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 8.00 4.25 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 73 D 7.70 4.45 0.00 2.74 2.79 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 74 P 0.00 4.43 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 75 R 8.82 4.09 0.00 2.10 2.11 0.00 3.16 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 76 W 8.46 4.42 0.00 3.40 3.36 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 77 L 8.02 3.92 0.00 1.84 1.72 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.76 4.28 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 79 F 7.75 4.29 0.00 3.03 2.95 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 80 L 7.35 3.15 0.00 1.39 1.42 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.17 0.00 1.87 2.00 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 82 K 7.71 4.10 0.00 1.19 1.65 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.28 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.35 1.30 7.81 83 I 7.34 4.51 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.52 0.54 0.00 0.00 84 R 7.94 3.75 0.00 1.77 1.88 0.00 3.15 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 85 D 7.81 4.75 0.00 2.65 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 86 L 7.79 4.25 0.00 2.01 1.83 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.57 4.49 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.68 0.00 0.00 88 E 9.37 4.38 0.00 2.00 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 2.27 2.32 0.00 89 V 7.64 4.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 90 A 8.55 5.62 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 91 E 8.55 4.99 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 2.26 2.28 0.00 92 N 8.79 5.76 0.00 2.75 2.86 0.00 0.00 5.84 7.13 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 93 K 9.06 4.78 0.00 1.85 1.93 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.48 7.81 94 I 8.20 5.35 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.97 1.18 0.00 0.00 *96 K 8.36 4.14 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.45 7.81 97 P 0.00 4.18 0.00 2.12 1.90 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 98 A 7.84 3.93 0.18 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 0.00 0.00 99 R 8.08 3.79 0.00 1.82 2.02 0.00 3.20 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 100 F 6.76 4.79 0.00 3.12 3.16 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 0.00 101 S 7.48 4.48 0.00 3.62 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 0.00 102 P 0.00 4.38 0.00 2.06 2.10 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 103 L 7.67 4.23 0.00 1.28 1.30 0.81 0.87 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 * Residues marked with a * may have inaccurate shift predictions.