NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.3214 8.2493 123.5854 52.0106 19.3823 177.2087 8 T 4.0502 8.3601 113.5538 61.6659 71.1082 173.8793 9 S 4.3546 8.8412 119.0322 62.1055 63.2502 178.8187 10 Q 4.0238 8.0524 123.2505 60.3745 27.8509 181.8943 11 D 4.5935 8.1635 121.2723 57.1611 40.5582 179.0551 12 I 3.7815 8.2272 120.6932 64.4008 36.9526 178.2951 13 L 4.2635 7.8333 119.8548 58.0590 42.3039 178.5815 14 K 4.1255 8.2071 119.7237 59.5434 31.9388 178.5259 15 Q 3.9856 8.3354 119.2328 58.7745 29.3035 177.0886 16 H 4.8255 7.8519 113.2658 55.3971 29.4022 176.4181 17 A 4.1797 7.9672 123.8229 55.4105 18.1884 179.7483 18 A 3.9933 8.0272 118.7047 55.3198 18.4579 179.0410 19 H 3.9708 8.2092 116.3117 59.8573 29.8813 177.0249 20 Y 4.0307 7.8343 117.9075 60.7683 37.1959 177.9531 21 E 4.0302 8.4525 120.3924 59.2593 29.5760 178.7848 22 S 4.0907 8.0747 112.1032 61.5017 62.7042 175.2052 23 D 4.5297 8.1236 117.7931 55.7322 40.9919 176.6504 *25 G 3.8222 7.7363 106.4560 43.8928 0.0000 172.6712 26 G 4.0985 6.6780 108.3300 44.3397 0.0000 172.1237 27 L 4.3046 7.6906 121.7943 52.4631 42.5391 174.8317 28 P 4.3367 0.0000 0.0000 62.5238 33.2973 176.7532 29 E 3.8330 8.7688 120.8816 59.5272 29.5301 179.0803 30 A 3.9798 7.9691 120.1500 55.3354 18.3453 179.4098 31 L 4.0682 7.6680 116.7418 57.3404 41.8651 179.2805 32 V 3.3413 7.9052 118.8175 66.3043 31.4043 178.0179 33 Q 4.5705 8.0280 120.2280 58.3913 28.8496 177.8064 34 L 3.9675 7.9976 121.4235 58.0791 41.9524 178.7695 35 A 3.6176 7.7149 119.7741 54.9247 18.5167 179.1304 36 E 3.7626 8.0356 116.9760 59.3516 29.3774 178.5537 37 Y 4.5727 7.8526 112.8671 57.5861 40.5751 175.9241 38 A 4.8091 8.5159 123.3611 49.1961 19.4361 175.0778 39 P 4.3753 0.0000 0.0000 65.8052 31.7600 178.5349 40 E 4.0497 8.2229 117.7929 59.3733 29.3922 179.2913 41 T 3.9229 7.9304 115.4459 66.5161 68.5633 176.0751 42 F 4.1932 8.6401 123.0531 61.5423 39.2451 176.5190 43 D 4.2543 8.6704 117.3823 57.4800 40.8627 178.1335 44 A 3.9419 7.8005 119.8789 55.2787 18.4922 178.5697 45 Y 4.0583 8.1616 117.3476 61.0464 39.1489 178.3040 46 S 3.9793 8.1221 116.3000 61.1668 62.7158 176.9845 47 R 3.8122 7.6589 117.6074 57.2866 29.6243 178.2466 *49 R 3.9871 7.8787 120.7425 56.6074 31.7782 176.9200 50 T 3.6098 7.5031 113.6352 66.7879 68.6932 176.7369 51 T 3.9390 7.6849 114.2893 62.5030 66.4360 174.8215 *53 L 4.2797 7.8714 116.9369 53.4160 43.1163 176.9615 54 K 3.8988 7.6533 119.5951 56.7071 32.6944 176.8213 55 S 4.5354 8.3523 119.5767 57.3262 64.6491 174.8387 56 E 4.3803 9.0851 119.4897 58.9721 29.3320 179.6156 57 A 4.0778 8.0709 120.0016 55.0081 18.4526 177.5914 58 D 4.6447 7.5337 113.0440 54.3040 40.8720 177.2192 59 G 4.0208 8.1812 107.0258 45.1084 0.0000 174.7141 60 A 4.1810 8.2628 123.4881 52.2020 18.9888 178.5196 61 K 4.1597 8.4809 119.2130 57.3333 33.2493 177.0943 62 L 4.4488 7.6863 120.6792 52.9390 42.9802 174.7913 63 P 4.5450 0.0000 0.0000 62.1009 33.1349 177.0290 64 L 3.9947 8.5495 122.8612 58.1466 42.0412 179.5185 65 K 3.9255 7.8141 118.3585 60.2039 32.4048 178.5386 66 Y 4.4577 7.4072 117.1361 60.1805 38.0291 177.7119 67 K 3.9210 8.1334 119.7821 60.1557 32.1707 179.0519 68 H 4.2803 8.4039 116.0953 58.3967 28.5662 177.6106 69 L 4.0258 8.1942 122.4946 58.2732 41.8453 178.9956 70 I 3.7374 7.9824 119.6693 64.6023 37.0849 178.4363 71 L 3.8955 7.8660 119.4957 57.4611 41.2353 179.5293 72 V 3.5558 8.1077 118.6872 66.1631 31.4852 178.2333 73 V 3.5891 7.9085 117.6123 66.0048 31.3305 177.8233 74 L 3.9297 8.1132 118.8625 58.1422 41.3767 179.4337 75 D 4.2984 8.6608 118.6875 56.8687 40.5009 178.7261 76 A 3.9488 8.1615 121.9284 55.2398 18.2005 179.6878 77 I 3.4588 7.4262 116.8749 64.3982 37.2615 178.2079 78 R 3.9267 7.9715 116.7794 56.1662 31.1878 175.2889 79 D 4.7031 7.3373 116.2677 55.6714 38.4143 175.6408 80 E 4.5478 8.1261 119.9900 53.6229 29.3651 175.6746 81 P 4.2042 0.0000 0.0000 65.2817 31.5480 178.7897 82 I 3.7275 7.6462 119.5642 64.2586 37.2724 178.1169 83 G 3.8541 7.9824 107.3676 47.2685 0.0000 175.1813 84 I 3.7209 7.9078 121.0830 63.8199 37.9067 178.2376 85 V 3.2201 7.3083 118.0734 65.7836 31.2631 177.7731 86 N 4.0674 8.1087 116.4416 56.6514 38.3458 177.1583 87 H 4.2542 8.6547 117.8553 58.7375 28.5280 178.1165 88 T 3.9328 7.7121 117.1824 66.5189 68.4028 176.2144 89 R 3.9663 7.7829 119.2286 59.4280 30.3869 178.0226 90 A 4.1131 8.0195 120.1440 55.0096 18.2385 179.7853 91 A 3.8302 8.1701 115.4801 53.7189 18.0223 178.8354 *93 N 4.6142 8.1044 118.4543 54.2598 40.4984 175.2289 94 A 4.3696 7.7009 118.7108 51.9692 18.8175 177.7198 95 G 4.0321 8.2413 104.3004 45.3995 0.0000 174.4312 96 L 4.1935 7.9751 122.9408 54.8305 42.8575 177.2918 97 S 4.5639 8.7861 120.8697 57.5828 65.5981 175.6517 98 V 3.6454 8.2694 122.1784 66.3334 31.3250 177.7975 99 D 4.4516 8.2199 118.0916 57.6618 40.7091 178.6719 100 E 4.0332 8.4320 118.8232 59.2479 29.4541 178.8992 101 L 4.0487 8.0920 120.3568 58.5092 42.0930 179.2694 102 I 3.8960 7.9446 119.3110 64.5315 36.8782 178.0748 103 E 4.0950 8.1800 118.2715 59.5406 29.4749 179.6116 104 G 3.7800 8.3248 105.4160 47.9434 0.0000 175.8555 105 I 3.8531 8.0668 122.8419 64.1110 37.1737 178.4383 106 L 4.1106 8.2943 119.8064 57.9453 41.4255 179.5648 107 L 4.1699 7.9467 119.1086 57.6415 41.3891 179.5911 108 G 3.8735 8.2989 105.8461 47.9511 0.0000 175.6218 109 I 3.9531 7.9468 121.8996 64.2893 36.8277 178.3870 110 I 3.6699 7.4299 119.3151 64.2996 37.0756 177.4212 111 V 3.8573 7.7675 117.2073 64.2535 31.8584 175.7712 112 Y 4.6375 8.2900 114.4041 56.8137 41.1265 177.0853 113 G 3.7091 8.8355 114.3377 46.0131 0.0000 174.4766 *115 P 4.3948 0.0000 0.0000 62.1586 33.6818 178.4209 116 A 4.0744 8.2145 121.3044 54.4153 18.7825 179.1243 117 W 4.4359 8.4546 125.0967 59.6044 31.6123 178.5736 118 G 3.6053 8.3139 105.5847 48.2700 0.0000 174.6092 119 K 4.1238 8.0757 120.4566 58.6597 32.9090 177.4422 120 T 4.3589 7.6702 113.1448 64.3550 71.5717 176.2737 121 G 3.8481 8.5245 109.2858 47.1804 0.0000 175.6809 122 R 2.9581 7.5315 118.5739 58.1227 29.1173 178.9524 123 K 3.8864 7.7733 119.3214 59.1756 31.8587 178.9039 124 A 4.0479 7.7955 120.8876 55.1367 18.2820 179.9156 125 V 3.6019 7.4990 116.2225 66.3402 31.5312 178.0762 126 T 3.8749 7.8671 115.5437 66.6483 68.2864 176.1893 127 F 4.0450 8.2214 122.0219 61.2987 39.3836 176.7382 128 A 3.9437 8.4560 120.7293 55.5871 16.6828 180.1263 129 V 3.5641 7.9650 110.4827 64.2004 31.3902 178.7408 130 E 4.1422 7.6255 118.2756 59.1734 29.4106 178.8755 131 F 4.1755 8.0652 121.0489 61.0461 39.2676 176.7467 132 E 3.7040 8.3173 119.4071 58.9715 29.3738 179.0264 133 K 3.8938 7.4228 118.3285 59.2007 31.8859 178.9005 134 E 3.8470 7.5030 118.5579 59.3548 29.9471 178.5030 135 L 3.8577 7.5715 118.8335 57.7018 41.3493 179.4687 136 A 4.0666 7.7086 120.0289 54.9495 18.3844 179.6946 137 G 3.6263 7.8787 103.1422 47.0184 0.0000 174.3609 138 K 4.2895 7.5034 124.3578 56.5915 32.3878 176.3754 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 7 A 8.25 4.32 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 8 T 8.36 4.05 4.25 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 1.27 0.00 0.00 9 S 8.84 4.35 0.00 3.87 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 10 Q 8.05 4.02 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 11 D 8.16 4.59 0.00 2.95 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 12 I 8.23 3.78 2.14 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 1.51 1.38 1.31 0.00 0.00 13 L 7.83 4.26 0.00 1.76 1.71 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.21 4.13 0.00 1.91 1.95 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 15 Q 8.34 3.99 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 16 H 7.85 4.83 0.00 3.58 3.50 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.97 4.18 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 18 A 8.03 3.99 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 H 8.21 3.97 0.00 3.15 3.33 0.00 5.87 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 20 Y 7.83 4.03 0.00 3.17 3.21 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 0.00 0.00 0.00 21 E 8.45 4.03 0.00 2.15 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 2.34 2.38 0.00 22 S 8.07 4.09 0.00 3.92 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 23 D 8.12 4.53 0.00 2.51 2.51 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 *25 G 7.74 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 0.00 0.00 0.00 26 G 6.68 4.10 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 0.00 0.00 0.00 27 L 7.69 4.30 0.00 1.50 1.50 0.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.34 0.00 2.17 1.94 0.00 3.52 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 2.17 2.15 0.00 29 E 8.77 3.83 0.00 1.95 1.92 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 2.34 2.30 0.00 30 A 7.97 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.07 0.00 1.75 1.81 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.91 3.34 2.18 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 0.89 0.00 0.00 0.92 0.00 0.00 33 Q 8.03 4.57 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 34 L 8.00 3.97 0.00 1.97 1.91 0.92 1.13 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 35 A 7.71 3.62 0.26 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 36 E 8.04 3.76 0.00 1.98 1.30 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 2.08 2.28 0.00 37 Y 7.85 4.57 0.00 3.09 2.98 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 38 A 8.52 4.81 1.27 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 0.00 0.00 39 P 0.00 4.38 0.00 2.33 2.33 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 40 E 8.22 4.05 0.00 2.08 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 0.00 2.44 2.44 0.00 41 T 7.93 3.92 4.44 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 1.26 0.00 0.00 42 F 8.64 4.19 0.00 3.15 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 43 D 8.67 4.25 0.00 3.05 2.90 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 0.00 0.00 0.00 44 A 7.80 3.94 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 45 Y 8.16 4.06 0.00 2.94 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 46 S 8.12 3.98 0.00 3.18 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 47 R 7.66 3.81 0.00 1.94 1.87 0.00 3.14 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 *49 R 7.88 3.99 0.00 1.27 1.71 0.00 3.38 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 50 T 7.50 3.61 4.17 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 1.08 0.00 0.00 51 T 7.68 3.94 4.17 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 1.12 0.00 0.00 *53 L 7.87 4.28 0.00 1.83 1.70 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.65 3.90 0.00 1.88 1.70 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.37 7.81 55 S 8.35 4.54 0.00 4.04 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 56 E 9.09 4.38 0.00 2.05 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 2.58 2.29 0.00 57 A 8.07 4.08 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 58 D 7.53 4.64 0.00 2.78 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 59 G 8.18 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 60 A 8.26 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.48 4.16 0.00 1.76 1.88 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 62 L 7.69 4.45 0.00 1.61 1.60 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.54 0.00 2.08 1.91 0.00 4.18 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 64 L 8.55 3.99 0.00 1.75 1.65 1.03 0.60 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 65 K 7.81 3.93 0.00 1.82 1.96 0.00 1.21 0.00 0.00 1.75 0.00 0.00 2.66 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.90 0.21 7.81 66 Y 7.41 4.46 0.00 3.16 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 67 K 8.13 3.92 0.00 1.94 1.80 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.69 7.81 68 H 8.40 4.28 0.00 3.23 3.60 0.00 5.63 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 69 L 8.19 4.03 0.00 2.01 2.01 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.98 3.74 2.04 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 1.55 0.67 0.92 0.00 0.00 71 L 7.87 3.90 0.00 1.67 1.30 0.81 0.73 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 72 V 8.11 3.56 2.32 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 1.13 0.00 0.00 1.04 0.00 0.00 73 V 7.91 3.59 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 1.10 0.00 0.00 74 L 8.11 3.93 0.00 1.85 1.67 0.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.66 4.30 0.00 2.82 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 76 A 8.16 3.95 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 77 I 7.43 3.46 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.43 -0.20 0.00 0.00 78 R 7.97 3.93 0.00 1.70 1.89 0.00 3.42 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 79 D 7.34 4.70 0.00 2.78 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 80 E 8.13 4.55 0.00 1.96 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 2.19 2.17 0.00 81 P 0.00 4.20 0.00 2.20 2.25 0.00 3.65 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 2.03 2.01 0.00 82 I 7.65 3.73 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.84 0.00 0.00 83 G 7.98 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 0.00 0.00 0.00 84 I 7.91 3.72 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.89 0.00 0.00 85 V 7.31 3.22 1.86 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 -0.14 0.00 0.00 0.71 0.00 0.00 86 N 8.11 4.07 0.00 2.74 2.68 0.00 0.00 7.05 8.58 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 87 H 8.65 4.25 0.00 3.24 3.54 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.71 3.93 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 1.50 0.00 0.00 89 R 7.78 3.97 0.00 1.49 1.88 0.00 3.09 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 1.42 0.62 0.00 90 A 8.02 4.11 1.10 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 0.00 0.00 91 A 8.17 3.83 1.49 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 *93 N 8.10 4.61 0.00 3.07 3.01 0.00 0.00 6.99 7.35 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 94 A 7.70 4.37 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 95 G 8.24 4.03 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 0.00 0.00 0.00 96 L 7.98 4.19 0.00 1.66 1.64 1.11 0.94 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 97 S 8.79 4.56 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 3.65 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 1.12 0.00 0.00 1.01 0.00 0.00 99 D 8.22 4.45 0.00 2.76 2.75 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 0.00 100 E 8.43 4.03 0.00 2.29 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 0.00 2.44 2.41 0.00 101 L 8.09 4.05 0.00 1.96 2.02 1.02 1.04 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 0.00 102 I 7.94 3.90 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 1.73 0.74 1.01 0.00 0.00 103 E 8.18 4.09 0.00 2.14 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 2.37 2.62 0.00 104 G 8.32 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 0.00 105 I 8.07 3.85 2.11 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 1.60 0.79 1.14 0.00 0.00 106 L 8.29 4.11 0.00 1.86 1.71 0.85 0.12 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 0.00 107 L 7.95 4.17 0.00 1.83 1.76 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.30 3.87 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 0.00 0.00 0.00 109 I 7.95 3.95 2.01 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 1.74 0.73 0.93 0.00 0.00 110 I 7.43 3.67 2.05 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 1.18 0.48 0.91 0.00 0.00 111 V 7.77 3.86 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 0.55 0.00 0.00 0.96 0.00 0.00 112 Y 8.29 4.64 0.00 3.14 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 0.00 113 G 8.84 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 *115 P 0.00 4.39 0.00 2.29 2.20 0.00 3.61 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 2.07 2.14 0.00 116 A 8.21 4.07 1.47 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 0.00 0.00 117 W 8.45 4.44 0.00 3.47 3.12 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 0.00 118 G 8.31 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 0.00 119 K 8.08 4.12 0.00 1.75 1.92 0.00 1.74 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.38 7.81 120 T 7.67 4.36 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 1.15 0.00 0.00 121 G 8.52 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 0.00 0.00 0.00 122 R 7.53 2.96 0.00 1.09 0.66 0.00 2.49 0.00 0.00 2.73 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.00 123 K 7.77 3.89 0.00 1.89 1.84 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.38 1.34 7.81 124 A 7.80 4.05 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 0.00 125 V 7.50 3.60 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 1.20 0.00 0.00 1.04 0.00 0.00 126 T 7.87 3.87 4.40 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 1.23 0.00 0.00 127 F 8.22 4.04 0.00 3.15 3.23 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 0.00 128 A 8.46 3.94 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.97 3.56 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 0.93 0.00 0.00 1.00 0.00 0.00 130 E 7.63 4.14 0.00 2.06 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 2.48 2.44 0.00 131 F 8.07 4.18 0.00 1.82 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 0.00 132 E 8.32 3.70 0.00 2.13 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 2.24 2.28 0.00 133 K 7.42 3.89 0.00 2.06 1.79 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.54 7.81 134 E 7.50 3.85 0.00 1.90 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 2.25 2.36 0.00 135 L 7.57 3.86 0.00 1.53 1.47 0.56 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.71 4.07 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 0.00 137 G 7.88 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 0.00 138 K 7.50 4.29 0.00 1.85 1.70 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.