NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2407 8.3293 118.8226 56.1470 29.8618 173.9724 4 S 4.4186 8.1620 113.6256 56.6091 64.7286 172.0952 5 G 3.9987 9.2264 108.3515 45.4461 0.0000 174.4347 6 I 4.4457 7.3985 120.3592 58.6745 39.4600 175.9514 7 S 4.3527 8.5391 120.0498 58.1306 63.6703 173.1361 8 Q 4.7562 8.2639 118.7998 54.6514 31.4301 174.2488 9 T 4.7252 8.0174 107.3755 59.4631 72.1932 173.5907 10 V 3.7426 8.2660 122.0303 63.3414 32.7060 174.5794 11 I 4.8148 8.1574 127.2749 59.5644 40.0396 175.0379 12 V 4.1306 8.4521 120.1946 60.5275 34.5901 174.5280 13 G 2.4153 7.8291 108.2487 42.9451 0.0000 171.6235 14 P 4.3559 0.0000 0.0000 61.1384 32.5378 175.2198 15 W 4.3722 8.0329 119.7699 55.6545 31.5689 174.2704 16 G 4.2023 8.7957 106.3629 43.9950 0.0000 173.7839 17 A 4.2638 8.9033 128.0386 52.5367 18.9155 177.3154 18 K 4.7154 8.2882 117.6726 56.0949 34.3086 178.2689 19 V 3.9812 7.7714 124.9238 61.7684 30.3187 179.2811 *25 G 3.7261 8.7790 99.9245 45.7913 0.0000 171.1587 26 K 4.7251 8.7568 123.5039 54.5597 33.6360 175.8113 27 A 4.8899 8.7287 129.8752 52.0381 19.3883 176.2351 28 F 5.0671 9.0467 115.3131 55.5224 42.1563 173.8678 29 D 4.8445 8.7560 119.9750 53.5544 42.2262 174.3821 30 D 4.6075 9.3977 128.0419 55.7407 41.9426 178.1335 31 G 3.2118 8.3303 105.5952 43.4463 0.0000 171.3472 32 A 4.5665 7.1996 120.5273 50.2489 21.0831 176.6109 33 F 4.6621 8.4372 119.8244 56.5094 42.3821 174.5760 34 T 4.2329 8.7396 116.9966 65.0438 69.0159 174.8913 35 G 4.1652 7.0392 107.4235 45.8841 0.0000 170.7121 36 I 4.7245 8.3696 119.0876 59.6636 40.3330 175.3305 37 R 4.3578 8.5944 123.9464 57.5679 32.3987 176.1492 38 E 5.0089 7.4972 117.5146 54.9510 33.4590 173.8358 39 I 4.5345 8.3763 127.1114 59.3979 40.4044 174.0286 40 N 5.3427 9.3201 125.2562 51.3146 40.9542 173.8765 41 L 5.3341 8.6200 123.3506 53.9206 44.8179 175.2607 42 S 5.3697 8.5701 112.4174 56.9786 66.8020 172.4811 43 Y 5.5851 8.6184 118.2409 55.8183 42.2499 173.0892 44 N 5.2107 9.3920 118.5216 51.5859 41.6169 175.1413 45 K 4.3709 9.1990 123.8491 57.7212 32.1351 176.7961 46 E 4.5495 8.6957 120.1719 55.9392 31.4073 175.3957 47 T 4.1547 7.4438 104.9801 60.8076 71.4701 176.3245 48 A 4.6429 7.7203 124.6473 51.1835 22.7847 174.9207 49 I 4.3329 8.1521 116.4753 62.5886 38.2210 175.0931 50 G 2.8627 8.8065 114.2319 47.0004 0.0000 174.2608 51 D 4.8114 6.2900 118.7798 53.6725 43.5607 176.2004 52 L 4.9133 8.6630 123.0436 53.6693 45.8681 174.7449 53 Q 4.6315 9.0986 127.0746 54.7115 33.1281 173.0428 54 V 4.3834 8.1621 125.3963 60.8649 34.9225 174.0173 55 V 4.2957 8.4853 128.1857 61.9908 32.6041 174.8555 56 Y 4.7458 8.7606 126.4386 56.7727 40.4649 174.0279 57 D 4.8918 8.9259 121.0436 53.3109 43.3312 175.0771 58 L 4.7999 8.9413 127.6708 53.1302 44.1752 175.7533 59 N 4.2221 10.7146 127.0088 54.1248 36.7288 175.8790 60 G 4.1443 9.2850 105.0035 45.2448 0.0000 174.1885 61 S 4.8514 7.8762 115.6021 55.3413 65.9904 171.7017 62 P 4.7861 0.0000 0.0000 63.2539 32.1198 174.9767 63 Y 4.5296 8.9954 123.5502 55.7977 41.8309 174.2592 64 V 4.0942 7.9709 127.7136 61.8468 31.8960 175.9565 65 G 4.0526 8.5907 115.9933 45.7660 0.0000 172.9741 66 Q 4.0829 8.6475 120.0412 55.7281 29.3344 175.9771 67 N 4.2583 8.4300 120.7107 53.7325 39.8194 173.8929 68 H 4.6572 8.6330 124.4549 54.3990 30.0377 173.8305 69 K 4.9210 8.2313 122.7467 54.0104 34.2394 176.8347 70 S 4.1435 8.7805 118.9262 58.2354 62.8361 174.6147 71 F 4.7104 8.2763 123.8180 59.2907 38.9085 175.6023 72 I 4.5498 7.7440 113.2414 58.9963 39.9123 174.9836 73 T 4.4231 8.1306 111.7493 60.4134 70.7754 174.8209 74 G 3.8035 8.9008 108.5102 45.2704 0.0000 173.1347 75 F 4.8183 7.6895 116.8904 56.3568 41.1466 175.2608 76 T 4.4615 8.6192 118.9528 61.5413 69.7558 172.7168 77 P 4.9453 0.0000 0.0000 62.5377 32.9338 175.8167 78 V 4.4112 9.1028 121.3073 61.0163 35.0809 173.7345 79 K 4.7831 8.6708 128.3018 54.6777 34.3155 175.0870 80 I 4.0923 8.7797 129.0782 59.8493 38.8452 175.0567 81 S 4.7471 8.3458 124.3865 56.7884 63.4047 174.3702 82 L 4.3448 8.2661 125.6560 54.0938 42.6250 178.0320 83 D 4.6524 9.3700 123.5997 53.1137 39.5707 174.6918 84 F 4.5608 8.1198 123.8764 57.1595 40.4172 173.0898 85 P 3.6795 0.0000 0.0000 62.3179 31.7639 176.6762 86 S 4.2340 7.9611 114.1078 60.4727 63.3668 173.6425 87 E 5.0062 8.5395 122.6880 54.5799 30.7314 174.8710 88 Y 5.1061 8.4079 123.4715 55.5463 42.1146 173.9751 89 I 4.2545 8.6871 121.9959 62.0347 37.4480 175.7319 90 M 4.7014 9.6124 126.0226 55.9219 34.5493 175.5074 91 E 5.2059 8.0701 118.6362 54.7258 33.6768 173.6990 92 V 4.8369 8.7300 126.4198 61.1188 34.4189 174.4471 93 S 4.3799 8.4344 121.3131 56.5258 67.2548 173.1717 94 G 3.5859 6.3629 104.6701 46.4523 0.0000 171.3446 95 Y 5.4434 8.0913 116.0655 56.3582 42.1916 175.0164 96 T 5.2381 8.8461 113.6119 60.3339 72.1178 173.3037 97 G 4.2780 8.5434 109.4448 45.4856 0.0000 171.8015 98 N 5.0268 8.8747 119.4530 53.5534 39.7364 174.4044 99 V 4.1034 8.8602 125.6128 61.9374 33.5939 175.2302 100 S 3.5583 10.0257 123.8455 59.6519 60.3028 173.5117 101 G 3.8325 8.3223 109.8158 44.8670 0.0000 173.8487 102 Y 4.9159 7.7149 117.5776 56.2163 40.5948 175.2133 103 V 4.5204 8.5741 123.7103 62.6994 32.4692 175.2476 104 V 4.8882 8.8205 120.3925 59.4878 37.1191 174.8005 105 V 4.5041 9.0878 122.2314 62.8362 31.5195 176.5203 106 R 4.3611 9.5046 128.8309 58.0905 31.7165 176.6593 107 S 5.2012 8.0106 111.8148 56.8612 66.3811 172.8325 108 L 5.0319 8.7838 124.2817 53.3583 46.1228 175.3083 109 T 4.8790 8.8324 117.1061 60.2375 71.4814 172.2871 110 F 5.3387 9.4336 126.3246 55.6363 42.2736 173.8912 111 K 5.0003 9.3107 126.3493 55.0966 34.0737 175.8040 112 T 5.0913 9.0943 118.9940 59.1490 71.0136 174.3759 113 N 4.3916 8.4699 117.5675 54.6104 37.6032 175.6722 114 K 4.3294 7.8150 117.8332 57.5471 33.9834 176.1654 115 K 4.3695 7.4510 116.7302 55.5350 34.9356 173.7841 116 T 4.8432 7.9627 119.3876 61.9488 70.2611 173.8887 117 Y 4.5034 9.4749 124.1070 58.2666 39.7328 174.8396 118 G 2.5465 8.3680 111.4194 42.7852 0.0000 170.6467 119 P 4.2700 0.0000 0.0000 62.6583 32.1206 175.0230 120 Y 4.0944 8.6182 118.7259 57.2366 40.2126 175.3472 121 G 4.1219 8.1705 110.4664 44.1584 0.0000 171.6806 122 V 4.1489 7.9381 120.8529 61.4795 33.0438 178.2929 123 T 3.7579 8.0244 121.6042 59.7304 67.4953 173.8881 124 S 4.3275 7.2335 116.4723 57.9583 67.5137 174.3092 125 G 4.1159 8.5455 105.3047 44.8867 0.0000 174.1980 126 T 4.7686 9.5955 121.3743 61.1432 70.2545 172.9318 127 P 4.2021 0.0000 0.0000 62.4683 32.5409 175.4717 128 F 5.1492 8.4254 115.7250 55.4637 41.7319 173.0592 129 N 5.0366 8.5231 116.1995 51.5088 40.4506 173.8162 130 L 4.6967 9.3400 125.1590 52.6648 43.6287 173.0989 131 P 5.1507 0.0000 0.0000 61.9533 33.0320 175.4762 132 I 4.5109 8.6043 122.8632 60.0058 38.9629 175.5206 133 E 4.2448 9.1153 126.9604 58.3388 30.0668 176.8238 134 N 4.7691 8.2463 115.8844 52.3430 41.7685 172.3085 135 G 3.8615 8.4592 110.3491 43.9742 0.0000 172.2659 136 L 4.9315 8.9447 117.9106 52.8964 46.3562 176.3020 137 I 4.4972 8.5685 123.2507 61.2519 37.7553 176.0705 138 V 4.5529 8.8778 119.2379 60.2486 33.5981 175.2849 139 G 4.8597 7.1961 107.4181 46.3075 0.0000 172.3948 140 F 5.9781 8.8208 118.8924 55.6786 43.3853 174.4019 141 K 4.6590 9.5270 119.7840 55.0205 36.5253 176.2025 142 G 3.8097 6.1889 106.1824 46.2065 0.0000 171.1014 143 S 5.1992 8.0054 115.2195 56.9782 66.6146 174.2443 144 I 4.8692 8.9811 126.8456 60.1382 40.8267 173.9333 145 G 3.1828 8.8073 111.9485 46.3156 0.0000 175.4422 146 Y 4.0354 8.6173 120.1953 59.8204 38.4232 175.3259 147 W 5.2204 7.3599 117.2670 54.1593 33.6408 173.4971 148 L 4.5107 9.0455 121.8586 55.9845 41.5703 177.2458 149 D 4.6918 9.4900 128.5656 57.3732 42.0112 176.3469 150 C 5.6492 8.2876 110.6771 58.4626 33.0057 172.5682 151 F 5.4649 8.4419 112.9313 56.1969 40.5251 172.9843 152 S 5.0631 9.6512 115.8459 57.1236 67.6880 172.7428 153 M 5.1111 8.9522 120.4464 53.8456 35.8349 174.6156 154 Y 4.7235 9.1398 121.4544 57.6454 39.3968 174.5121 155 L 5.2543 8.7890 124.0794 53.2961 44.7592 175.7218 156 S 4.6463 8.9546 115.9796 57.0137 66.7630 174.1571 157 L 4.2151 8.3606 121.8978 55.0373 41.5560 177.0951 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 3 Q 8.33 4.24 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 4 S 8.16 4.42 0.00 4.06 3.90 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 5 G 9.23 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 0.00 0.00 0.00 6 I 7.40 4.45 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.88 0.00 0.00 7 S 8.54 4.35 0.00 3.94 3.83 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 8 Q 8.26 4.76 0.00 2.13 2.07 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 2.20 2.29 0.00 9 T 8.02 4.73 4.31 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 1.28 0.00 0.00 10 V 8.27 3.74 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 0.93 0.00 0.00 11 I 8.16 4.81 1.60 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.63 0.56 0.00 0.00 12 V 8.45 4.13 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 0.75 0.00 0.00 1.19 0.00 0.00 13 G 7.83 2.42 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 0.00 14 P 0.00 4.36 0.00 2.01 1.86 0.00 3.03 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 15 W 8.03 4.37 0.00 2.53 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 0.00 0.00 0.00 16 G 8.80 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 0.00 0.00 0.00 0.00 17 A 8.90 4.26 1.41 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 0.00 0.00 0.00 18 K 8.29 4.72 0.00 1.71 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.35 7.81 19 V 7.77 3.98 2.16 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 0.73 0.00 0.00 0.99 0.00 0.00 *25 G 8.78 3.73 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 0.00 26 K 8.76 4.73 0.00 2.05 1.83 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 27 A 8.73 4.89 1.23 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 0.00 0.00 28 F 9.05 5.07 0.00 2.94 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 29 D 8.76 4.84 0.00 2.70 2.67 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 30 D 9.40 4.61 0.00 3.19 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 31 G 8.33 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 0.00 0.00 0.00 32 A 7.20 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.44 4.66 0.00 2.85 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 34 T 8.74 4.23 4.61 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 1.32 0.00 0.00 35 G 7.04 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 0.00 0.00 0.00 0.00 36 I 8.37 4.72 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.01 0.81 0.00 0.00 37 R 8.59 4.36 0.00 1.65 1.78 0.00 3.09 0.00 0.00 2.93 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.00 38 E 7.50 5.01 0.00 1.86 1.54 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 2.09 2.32 0.00 39 I 8.38 4.53 1.35 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.21 0.46 0.00 0.00 40 N 9.32 5.34 0.00 2.50 2.55 0.00 0.00 6.12 6.08 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 41 L 8.62 5.33 0.00 1.76 1.59 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.57 5.37 0.00 3.98 3.86 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 43 Y 8.62 5.59 0.00 3.18 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 44 N 9.39 5.21 0.00 2.63 2.79 0.00 0.00 7.56 5.80 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 45 K 9.20 4.37 0.00 1.90 1.93 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.63 1.89 7.81 46 E 8.70 4.55 0.00 1.94 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 2.21 2.20 0.00 47 T 7.44 4.15 3.80 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 1.27 0.00 0.00 48 A 7.72 4.64 1.14 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 0.00 0.00 0.00 0.00 0.00 49 I 8.15 4.33 2.08 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 1.28 0.76 0.98 0.00 0.00 50 G 8.81 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 0.00 0.00 0.00 51 D 6.29 4.81 0.00 2.40 2.42 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 52 L 8.66 4.91 0.00 1.45 1.20 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 9.10 4.63 0.00 2.04 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 54 V 8.16 4.38 1.41 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 0.07 0.00 0.00 0.55 0.00 0.00 55 V 8.49 4.30 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 0.90 0.00 0.00 0.80 0.00 0.00 56 Y 8.76 4.75 0.00 2.42 2.49 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 57 D 8.93 4.89 0.00 1.86 2.49 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 58 L 8.94 4.80 0.00 1.87 1.63 0.88 0.53 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 59 N 10.71 4.22 0.00 2.87 2.90 0.00 0.00 7.23 8.27 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 60 G 9.29 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.88 4.85 0.00 3.95 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 62 P 0.00 4.79 0.00 2.02 1.99 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 63 Y 9.00 4.53 0.00 3.02 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 64 V 7.97 4.09 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 0.71 0.00 0.00 0.79 0.00 0.00 65 G 8.59 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 0.00 0.00 0.00 66 Q 8.65 4.08 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 67 N 8.43 4.26 0.00 2.59 2.62 0.00 0.00 6.96 7.89 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 68 H 8.63 4.66 0.00 2.68 2.71 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.23 4.92 0.00 1.59 1.67 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.45 7.81 70 S 8.78 4.14 0.00 3.51 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 71 F 8.28 4.71 0.00 3.26 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 72 I 7.74 4.55 1.72 0.00 0.00 0.46 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 0.76 0.59 0.00 0.00 73 T 8.13 4.42 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 1.23 0.00 0.00 74 G 8.90 3.80 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 0.00 0.00 0.00 75 F 7.69 4.82 0.00 2.92 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 76 T 8.62 4.46 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 1.10 0.00 0.00 77 P 0.00 4.95 0.00 2.02 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 78 V 9.10 4.41 1.75 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 0.38 0.00 0.00 0.97 0.00 0.00 79 K 8.67 4.78 0.00 1.69 1.60 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.51 7.81 80 I 8.78 4.09 1.43 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.31 -0.14 0.00 0.00 81 S 8.35 4.75 0.00 3.73 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 82 L 8.27 4.34 0.00 1.77 1.68 0.65 0.97 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 83 D 9.37 4.65 0.00 2.77 2.62 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 84 F 8.12 4.56 0.00 3.04 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 85 P 0.00 3.68 0.00 1.71 0.79 0.00 3.68 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 1.70 1.64 0.00 86 S 7.96 4.23 0.00 4.02 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 87 E 8.54 5.01 0.00 1.98 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 2.30 2.39 0.00 88 Y 8.41 5.11 0.00 3.23 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 89 I 8.69 4.25 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 1.23 0.00 0.00 90 M 9.61 4.70 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 91 E 8.07 5.21 0.00 2.01 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 2.21 2.32 0.00 92 V 8.73 4.84 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 1.00 0.00 0.00 1.24 0.00 0.00 93 S 8.43 4.38 0.00 3.57 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 94 G 6.36 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 95 Y 8.09 5.44 0.00 2.87 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 96 T 8.85 5.24 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 97 G 8.54 4.28 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 0.00 98 N 8.87 5.03 0.00 2.75 2.75 0.00 0.00 6.62 7.71 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 99 V 8.86 4.10 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 0.08 0.00 0.00 0.63 0.00 0.00 100 S 10.03 3.56 0.00 4.54 4.22 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 0.00 0.00 0.00 0.00 101 G 8.32 3.83 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 0.00 0.00 0.00 102 Y 7.71 4.92 0.00 3.21 2.97 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 0.00 103 V 8.57 4.52 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 0.86 0.00 0.00 1.00 0.00 0.00 104 V 8.82 4.89 2.44 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 1.04 0.00 0.00 0.93 0.00 0.00 105 V 9.09 4.50 2.28 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 1.24 0.00 0.00 1.26 0.00 0.00 106 R 9.50 4.36 0.00 1.93 2.02 0.00 3.14 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 107 S 8.01 5.20 0.00 4.02 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 0.00 108 L 8.78 5.03 0.00 1.67 1.39 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.83 4.88 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 1.09 0.00 0.00 110 F 9.43 5.34 0.00 3.14 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 0.00 111 K 9.31 5.00 0.00 1.81 1.69 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.34 7.81 112 T 9.09 5.09 4.37 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 1.46 0.00 0.00 113 N 8.47 4.39 0.00 2.69 2.58 0.00 0.00 5.83 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 0.00 114 K 7.82 4.33 0.00 1.97 1.87 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.32 7.81 115 K 7.45 4.37 0.00 1.57 1.08 0.00 1.53 0.00 0.00 1.35 0.00 0.00 2.54 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.85 1.21 7.81 116 T 7.96 4.84 4.13 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 1.15 0.00 0.00 117 Y 9.47 4.50 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.03 1.93 0.00 3.54 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 1.81 1.86 0.00 120 Y 8.62 4.09 0.00 2.87 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 0.00 121 G 8.17 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 0.00 122 V 7.94 4.15 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 0.77 0.00 0.00 1.03 0.00 0.00 123 T 8.02 3.76 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 1.09 0.00 0.00 124 S 7.23 4.33 0.00 3.84 3.64 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 0.00 125 G 8.55 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 0.00 126 T 9.60 4.77 4.36 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 1.28 0.00 0.00 127 P 0.00 4.20 0.00 1.68 1.17 0.00 3.72 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 1.89 1.89 0.00 128 F 8.43 5.15 0.00 2.84 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 0.00 129 N 8.52 5.04 0.00 2.66 2.52 0.00 0.00 5.78 7.79 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 0.00 130 L 9.34 4.70 0.00 1.50 1.45 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 5.15 0.00 2.13 2.03 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 132 I 8.60 4.51 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 1.02 0.00 0.00 133 E 9.12 4.24 0.00 1.99 2.03 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 2.32 2.32 0.00 134 N 8.25 4.77 0.00 2.62 2.65 0.00 0.00 7.10 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 0.00 135 G 8.46 3.86 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 0.00 0.00 0.00 136 L 8.94 4.93 0.00 1.56 1.57 0.90 0.61 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 0.00 137 I 8.57 4.50 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 0.75 0.00 0.00 138 V 8.88 4.55 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 0.86 0.00 0.00 1.03 0.00 0.00 139 G 7.20 4.86 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 0.00 0.00 0.00 140 F 8.82 5.98 0.00 3.37 3.40 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 0.00 141 K 9.53 4.66 0.00 1.82 2.22 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.30 7.81 142 G 6.19 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 0.00 143 S 8.01 5.20 0.00 3.87 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 0.00 144 I 8.98 4.87 1.82 0.00 0.00 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 1.23 0.80 0.78 0.00 0.00 145 G 8.81 3.18 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 0.00 146 Y 8.62 4.04 0.00 1.43 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 0.00 147 W 7.36 5.22 0.00 3.60 3.18 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 0.00 148 L 9.05 4.51 0.00 1.81 1.72 1.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 149 D 9.49 4.69 0.00 2.78 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 0.00 150 C 8.29 5.65 0.00 3.02 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 0.00 151 F 8.44 5.46 0.00 3.50 3.31 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 0.00 152 S 9.65 5.06 0.00 3.56 3.69 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 0.00 153 M 8.95 5.11 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.23 0.00 154 Y 9.14 4.72 0.00 3.00 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 0.00 155 L 8.79 5.25 0.00 1.49 1.58 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.95 4.65 0.00 3.89 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 0.00 157 L 8.36 4.22 0.00 1.68 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.