NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7194 8.1833 119.3493 57.4899 41.4497 173.2633 3 Y 4.8130 8.7759 119.9323 55.3948 40.9783 170.7658 4 E 5.1836 10.6602 127.8800 54.7778 32.4476 174.1342 5 I 4.9401 9.1700 128.2178 59.7686 40.0424 174.5651 6 R 5.0305 8.6164 126.7477 54.6368 32.5469 175.4395 7 T 4.9133 8.8613 120.3986 61.9495 71.7062 172.6951 8 Y 5.4136 8.8084 123.9046 56.1783 42.0473 174.6544 9 R 4.9602 9.1647 123.0807 54.8156 32.3018 175.5292 10 L 4.9085 8.8879 127.1225 52.9650 43.8150 176.4604 11 K 4.2499 8.8735 121.9709 55.8163 33.3282 175.5831 12 N 4.4811 8.7762 125.0896 56.0580 38.8946 174.7911 13 G 3.9317 9.3589 114.2687 45.5927 0.0000 173.9104 14 A 4.3414 8.2099 121.1312 52.7534 18.7911 179.4379 15 I 3.6695 7.7444 118.9202 63.9564 37.3078 176.1450 16 P 4.1492 0.0000 0.0000 65.5449 31.2186 178.4664 17 A 3.9808 7.9675 118.8815 55.2516 18.4079 178.6921 18 Y 3.9483 8.3159 118.2168 61.1318 38.9484 178.5542 19 L 4.0827 8.6126 120.1199 57.3785 41.5746 179.6479 20 K 3.8885 8.0014 119.8723 59.5584 32.2698 179.4317 21 V 3.7588 7.7249 119.4431 64.5514 31.2858 178.5678 22 V 3.4966 7.7331 119.0224 65.7366 31.1731 177.6037 23 E 3.7955 7.7606 117.6179 59.5540 29.5973 178.2960 24 D 4.5280 8.2994 117.9105 56.6001 41.0052 176.9689 25 E 4.6120 8.6301 115.0723 54.6330 32.1572 176.6916 26 G 3.0210 7.3545 104.6276 45.6045 0.0000 175.0598 27 I 3.7811 7.9672 121.3377 64.0484 37.9262 177.8350 28 E 3.9856 8.0528 118.7200 59.4096 29.1391 179.1461 29 I 3.6881 7.6978 119.3273 64.5067 37.1981 178.0961 30 Q 3.3750 8.2892 120.4630 59.0554 28.8507 178.4954 31 K 4.3604 8.6980 120.2253 59.3075 31.8872 179.4101 32 S 4.2181 8.0548 113.6239 60.6203 62.9235 175.3466 33 H 4.5993 7.1544 118.2597 57.8540 29.6589 176.9679 34 L 4.2538 7.8900 119.2343 54.6440 41.5647 177.9126 35 G 3.9717 8.6529 109.0185 43.6276 0.0000 174.3174 36 E 4.5173 9.0347 124.9181 54.2356 32.4801 175.7769 37 L 3.3131 8.2199 127.7487 54.2786 42.1980 176.4389 38 V 3.8362 8.5496 127.7240 65.1213 32.5283 176.2514 39 G 3.7583 6.9998 103.4307 45.5397 0.0000 172.2065 40 Y 4.6461 7.5527 122.3978 55.7227 41.3337 174.1119 41 F 5.4663 9.4398 125.5916 55.6167 43.4270 174.1489 42 F 5.7062 8.3150 114.9373 54.6866 40.7464 174.9022 43 S 4.2764 8.8196 115.5341 59.4834 63.1126 173.0006 44 E 4.5847 8.7091 119.4798 57.1928 33.0126 175.3983 45 I 4.5463 8.0438 118.0729 60.0720 40.9634 173.0062 46 G 3.9769 8.8617 113.5247 43.2590 0.0000 172.5746 47 P 4.3033 0.0000 0.0000 62.7225 31.7612 175.8246 48 I 4.2905 8.1762 123.6459 61.3633 38.7674 174.7942 49 N 4.3198 8.7340 117.8514 54.7507 35.6636 173.1533 50 E 5.2580 8.0283 117.5438 54.5260 32.7214 174.4147 51 I 5.1626 8.6102 126.0643 59.5561 40.9354 174.7754 52 V 4.8108 9.1313 126.1528 61.4629 34.7642 173.6707 53 H 5.0151 8.7045 122.9197 53.6001 31.9460 172.3708 54 I 5.1791 8.5669 121.2902 59.3892 40.4076 174.5010 55 W 5.0627 9.2584 125.7173 54.6999 32.6506 174.0863 56 A 4.7288 8.1631 125.5327 50.1388 20.1770 176.2233 57 F 4.9398 8.9922 121.3226 55.4289 41.6872 175.9101 58 S 4.3505 9.1699 118.0730 61.1148 63.3508 174.8652 59 S 5.0067 7.7236 113.6902 55.8257 67.0906 174.7471 60 L 3.7075 7.8024 121.8429 57.3442 41.3970 179.1878 61 D 4.3391 7.8178 118.4886 56.6756 40.8252 177.9834 62 D 4.3017 7.7073 119.0676 56.9385 41.1250 178.1375 63 R 2.9921 7.6069 119.0500 59.0672 29.9707 178.2667 64 A 3.7796 7.6411 120.4411 55.0168 18.3156 179.1987 65 E 3.7720 7.9892 117.6143 59.5826 29.7829 179.3339 66 R 3.9161 8.1834 118.4266 59.3804 29.9152 179.3609 67 R 3.8021 7.9654 116.8502 58.7389 30.0348 178.6402 68 A 4.0875 7.6130 120.2872 55.0712 18.6810 179.5940 69 R 4.0355 7.7763 116.2811 58.9139 29.8678 179.5461 70 L 3.5361 7.3032 116.8808 55.2610 41.9638 177.5709 *72 A 4.2445 7.9898 121.3933 51.2498 20.6397 177.1385 73 D 4.4301 7.7210 115.9407 53.7341 41.4334 175.2401 74 P 4.4287 0.0000 0.0000 65.6718 31.0546 178.4522 75 R 4.0859 8.7257 118.7448 58.6990 29.8933 178.5665 76 W 4.4180 8.3973 128.5079 60.5449 30.5401 178.1980 77 L 3.9359 8.0151 117.3751 57.5949 41.1782 179.0381 78 S 4.2834 7.7395 114.0113 60.6499 63.1124 176.0543 79 F 4.2651 7.8204 123.7964 61.0123 39.2861 177.2831 80 L 3.1502 7.4241 119.0290 57.3705 41.2100 177.9293 81 P 4.1624 0.0000 0.0000 64.7942 31.2895 177.9917 82 K 4.0848 7.6773 116.5525 57.3896 32.4225 177.2094 83 I 4.4944 7.2872 110.3371 59.7061 38.9750 177.2000 84 R 3.7498 7.9249 121.1144 59.0837 29.8477 176.4068 85 D 4.7437 7.8099 114.1700 54.1280 41.7748 176.8512 86 L 4.2625 7.7606 120.1003 55.9966 42.2906 176.4855 87 I 4.4892 7.5797 119.4909 60.3072 37.8767 174.7405 88 E 4.4043 9.3595 125.6545 57.9196 31.0743 176.4406 89 V 4.6203 7.6450 117.7442 61.1439 35.1836 173.8112 90 A 5.6807 8.5647 126.6706 50.6152 22.6566 174.6379 91 E 4.9884 8.5411 114.2782 55.9200 32.2988 174.3215 92 N 5.7524 8.7963 117.5973 51.4820 40.9993 173.3778 93 K 4.7720 9.0415 117.9755 55.7840 36.4362 175.1545 94 I 5.4277 8.1846 121.6134 59.0426 39.7910 175.2267 *96 K 4.1682 8.3595 122.2993 55.5554 33.0707 174.3200 97 P 4.1802 0.0000 0.0000 62.0917 32.3209 176.2594 98 A 3.9260 7.8558 123.4269 51.5713 18.9248 178.6952 99 R 3.7826 8.1802 119.1671 58.8065 30.2178 177.8489 100 F 4.7978 6.9277 110.6221 56.4144 38.1900 175.1489 101 S 4.4994 7.5364 115.9699 57.0800 63.1233 172.4589 102 P 4.3869 0.0000 0.0000 65.5932 31.4361 176.4481 103 L 4.2386 7.6830 120.9190 54.9977 41.5572 176.7012 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 4.72 0.00 3.33 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 3 Y 8.78 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 10.66 5.18 0.00 2.26 2.21 0.00 0.00 0.00 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 2.40 0.00 5 I 9.17 4.94 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 0.79 0.93 0.00 0.00 6 R 8.62 5.03 0.00 1.25 1.60 0.00 3.24 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 7 T 8.86 4.91 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 1.24 0.00 0.00 8 Y 8.81 5.41 0.00 2.82 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 9 R 9.16 4.96 0.00 1.87 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 8.89 4.91 0.00 1.50 1.73 0.61 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.87 4.25 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 2.93 0.00 0.00 0.00 0.00 1.44 1.39 7.81 12 N 8.78 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 9.36 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 8.21 4.34 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 15 I 7.74 3.67 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.63 0.80 0.00 0.00 16 P 0.00 4.15 0.00 2.15 2.08 0.00 3.73 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 7.97 3.98 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 18 Y 8.32 3.95 0.00 3.12 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 8.61 4.08 0.00 1.65 1.65 0.37 0.75 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 8.00 3.89 0.00 1.97 1.91 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.43 7.81 21 V 7.72 3.76 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 0.90 0.00 0.00 1.03 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 0.72 0.00 0.00 0.41 0.00 0.00 23 E 7.76 3.80 0.00 1.95 2.15 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 2.28 2.30 0.00 24 D 8.30 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 8.63 4.61 0.00 1.96 1.94 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 2.25 2.26 0.00 26 G 7.35 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 0.00 0.00 0.00 27 I 7.97 3.78 1.85 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.88 0.00 0.00 28 E 8.05 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 7.70 3.69 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 8.29 3.38 0.00 1.92 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 31 K 8.70 4.36 0.00 2.04 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.73 1.93 7.81 32 S 8.05 4.22 0.00 3.95 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 7.15 4.60 0.00 3.12 3.20 0.00 5.65 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 7.89 4.25 0.00 1.17 1.46 -0.39 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.65 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 0.00 0.00 0.00 36 E 9.03 4.52 0.00 1.79 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 0.00 2.26 2.23 0.00 37 L 8.22 3.31 0.00 0.63 1.19 -0.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.55 3.84 2.15 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 0.84 0.00 0.00 0.99 0.00 0.00 39 G 7.00 3.76 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 0.00 0.00 0.00 40 Y 7.55 4.65 0.00 2.72 2.57 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 41 F 9.44 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 8.31 5.71 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 8.82 4.28 0.00 3.98 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 8.71 4.58 0.00 1.75 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 0.00 2.13 2.35 0.00 45 I 8.04 4.55 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 8.86 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 47 P 0.00 4.30 0.00 2.16 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 4.29 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 0.70 0.95 0.00 0.00 49 N 8.73 4.32 0.00 2.95 3.08 0.00 0.00 6.44 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 8.03 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 2.23 2.45 0.00 51 I 8.61 5.16 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.21 0.99 0.00 0.00 52 V 9.13 4.81 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 1.08 0.00 0.00 0.95 0.00 0.00 53 H 8.70 5.02 0.00 2.65 1.56 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 8.57 5.18 1.84 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 1.27 1.02 1.10 0.00 0.00 55 W 9.26 5.06 0.00 3.23 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 56 A 8.16 4.73 0.73 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 0.00 0.00 57 F 8.99 4.94 0.00 2.96 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 9.17 4.35 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 7.72 5.01 0.00 4.06 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 60 L 7.80 3.71 0.00 1.32 1.41 0.55 0.49 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 7.82 4.34 0.00 2.63 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 7.71 4.30 0.00 2.76 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 7.61 2.99 0.00 0.86 1.60 0.00 2.59 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 64 A 7.64 3.78 1.25 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 0.00 0.00 65 E 7.99 3.77 0.00 2.27 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 2.27 2.31 0.00 66 R 8.18 3.92 0.00 2.04 2.08 0.00 3.48 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 67 R 7.97 3.80 0.00 1.64 1.85 0.00 2.93 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 68 A 7.61 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.78 4.04 0.00 1.99 1.99 0.00 3.15 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 1.63 1.80 0.00 70 L 7.30 3.54 0.00 1.27 1.44 -0.25 0.17 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 7.99 4.24 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 73 D 7.72 4.43 0.00 2.77 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 74 P 0.00 4.43 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.98 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 8.73 4.09 0.00 2.11 2.11 0.00 3.17 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 1.76 0.00 76 W 8.40 4.42 0.00 3.40 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 77 L 8.02 3.94 0.00 1.82 1.72 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.74 4.28 0.00 4.06 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 7.82 4.27 0.00 2.98 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 80 L 7.42 3.15 0.00 1.38 1.42 0.81 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.16 0.00 1.87 2.00 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 82 K 7.68 4.08 0.00 1.17 1.64 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.34 1.29 7.81 83 I 7.29 4.49 1.92 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 0.52 0.51 0.58 0.00 0.00 84 R 7.92 3.75 0.00 1.78 1.87 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 1.53 1.57 0.00 85 D 7.81 4.74 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 7.76 4.26 0.00 2.01 1.82 1.03 0.88 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 7.58 4.49 1.74 0.00 0.00 0.56 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 0.69 0.64 0.00 0.00 88 E 9.36 4.40 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 2.26 2.23 0.00 89 V 7.65 4.62 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 1.04 0.00 0.00 0.95 0.00 0.00 90 A 8.56 5.68 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 91 E 8.54 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 2.25 2.27 0.00 92 N 8.80 5.75 0.00 2.74 2.85 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 9.04 4.77 0.00 1.85 1.92 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.47 7.81 94 I 8.18 5.43 1.96 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 1.39 2.01 1.16 0.00 0.00 *96 K 8.36 4.17 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.49 7.81 97 P 0.00 4.18 0.00 2.14 1.94 0.00 3.74 0.00 0.00 3.91 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 7.86 3.93 0.17 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 0.00 0.00 99 R 8.18 3.78 0.00 1.84 2.04 0.00 3.20 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 100 F 6.93 4.80 0.00 3.09 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 0.00 101 S 7.54 4.50 0.00 3.56 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 0.00 102 P 0.00 4.39 0.00 2.07 2.10 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 103 L 7.68 4.24 0.00 1.30 1.40 0.79 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.