NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.1006 8.1300 115.1795 56.5078 39.7442 176.7751 13 V 3.4907 7.9110 122.9342 66.6880 31.2170 174.9571 14 A 4.0029 7.8425 120.6653 55.1325 18.6877 178.8390 15 E 4.0054 8.2211 115.6370 59.2873 29.8986 179.1082 16 L 4.0074 8.0387 120.0420 57.7365 41.7810 178.8908 17 N 4.3721 8.2241 116.4860 56.5154 38.2694 176.7965 18 N 4.4651 7.7779 117.0022 55.6673 39.1887 175.7860 19 L 4.5113 8.1714 119.3006 53.4225 42.1870 176.1334 20 L 4.2881 7.1606 119.8755 56.3783 41.9935 177.8269 21 G 4.0169 9.0825 111.4038 45.2107 0.0000 173.5728 22 R 4.6649 7.7755 118.6390 54.3634 32.8812 175.2899 23 E 4.7482 8.5854 122.3005 56.4472 30.6267 175.9273 24 V 4.7168 8.9940 118.6112 60.0624 37.2290 173.3847 25 Q 5.0275 8.9244 122.8384 54.4007 31.6974 174.2166 26 V 4.6590 9.0194 126.4025 61.1856 34.3594 174.0997 27 V 4.5084 8.5120 128.7713 61.5536 33.0365 175.0062 28 L 5.0748 8.9400 128.5459 53.4503 43.3074 178.0904 29 S 4.2102 9.2556 116.6320 61.0862 62.5054 174.6299 30 N 4.7291 8.2756 116.2637 52.6025 37.0822 176.1703 31 G 3.9749 8.0102 106.4881 45.9815 0.0000 174.2628 32 E 4.3486 8.7585 120.0055 55.9729 31.5722 175.9243 33 V 4.8423 7.9856 120.7433 61.5082 34.9232 173.5179 34 Y 4.9978 9.0027 125.5077 55.9578 41.0027 174.5144 35 K 4.9959 8.7271 125.3593 54.6734 35.2242 175.2469 36 G 4.3877 8.4690 112.9746 45.7799 0.0000 172.0207 37 V 4.3144 7.9470 120.5765 62.1490 32.7130 174.8976 38 L 4.2977 9.2593 131.0616 56.1029 42.1632 176.2537 39 H 4.6995 9.2135 127.2717 57.4339 31.5360 174.6511 40 A 4.7444 7.6366 117.2855 50.9400 22.5698 175.7534 41 V 4.9376 8.2737 113.1482 60.0899 35.9841 174.5846 42 D 5.0048 8.5061 124.6087 51.2896 41.8985 176.6454 43 N 4.3175 8.6094 115.3297 56.4027 38.4495 176.2340 44 Q 3.8857 7.9765 114.3256 55.6149 29.1296 175.7194 45 L 3.8419 7.8042 116.9894 55.5849 39.6659 174.2810 46 N 4.8654 8.9607 116.3454 53.4858 39.8936 174.3970 47 I 5.0847 8.7213 122.5203 59.5028 41.4073 174.4989 48 V 4.6217 8.7981 125.7657 61.1080 34.1897 174.1576 49 L 5.2146 8.5508 127.3762 53.0314 44.5108 175.2765 50 A 4.8453 9.0535 123.9475 50.4059 21.9395 175.9781 51 N 4.3313 8.1229 116.2829 54.4355 36.7480 173.5136 52 A 5.2519 8.0141 120.2207 50.6800 22.8085 177.3687 53 S 5.7689 9.3553 112.7296 56.8110 67.3316 172.9810 54 N 5.3640 8.3032 117.9852 50.0457 40.1191 175.2733 55 K 4.0650 8.4779 116.2505 57.9508 32.0171 177.6698 56 A 4.3346 7.8184 120.9679 51.6232 19.2503 178.1933 57 G 3.9684 8.1806 104.9915 45.1983 0.0000 174.4209 58 E 3.9308 7.8604 120.0145 56.2846 30.0908 175.4995 59 K 5.0320 7.8155 123.3241 54.6772 35.5343 175.0517 60 F 4.8443 9.1483 123.5195 55.7683 43.2382 175.2434 61 N 4.4174 9.1620 121.2957 56.4716 39.9287 174.8464 62 R 4.8662 7.8717 114.9167 54.2917 34.5963 174.9664 63 V 3.9501 8.0192 122.3282 61.0717 34.2330 174.3338 64 F 4.7467 8.7490 127.6368 56.6256 39.6541 175.1849 65 I 4.5143 8.7944 130.4541 60.4809 39.6918 176.4433 *67 Y 4.7581 8.5011 119.4221 58.0563 39.7936 177.5908 68 R 3.6669 7.0771 118.1533 58.4974 30.3378 176.6687 69 Y 4.3654 7.6845 113.4723 57.7632 38.6383 174.6654 70 I 4.3473 7.4394 122.4852 61.3130 37.3435 175.8025 71 V 4.2110 8.9771 128.3981 65.0403 32.2630 175.3454 72 H 5.0134 7.7674 113.3448 54.7448 31.8648 171.8598 73 I 5.0233 8.2553 119.2322 59.6425 40.0326 174.7979 74 D 5.0769 9.5758 126.3252 52.5062 44.4325 174.9712 75 S 4.8995 8.5054 115.8411 56.7967 65.2415 173.5478 76 T 4.4246 8.7243 115.2886 61.3991 69.2267 173.9017 77 E 4.5377 7.6826 121.2822 55.1173 31.2300 175.5357 78 R 4.4395 8.3122 120.8956 54.6960 31.2460 176.1408 79 R 4.5616 8.2332 121.7642 53.9886 32.8553 175.4028 80 I 3.8158 8.4541 124.2792 61.2449 37.7550 174.9555 81 D 4.9145 8.6460 124.4959 52.4498 44.1443 176.2781 *83 R 3.8067 8.2325 117.4267 56.0576 32.1342 178.2380 84 E 3.9992 8.1468 117.1466 59.2901 29.3245 178.9963 85 F 3.3029 7.9913 120.2953 60.8869 39.2314 176.8813 86 A 3.7948 7.8716 119.8568 55.1161 17.9415 179.6302 87 K 3.8555 7.5809 115.4384 59.6855 32.5592 179.3279 88 Q 4.0415 7.8804 118.0517 58.9111 28.6397 178.7075 89 A 3.8750 8.1616 122.3456 55.0328 18.2322 179.2021 90 E 4.0989 8.3211 117.9481 59.3042 29.4208 178.8791 91 K 4.1372 7.7757 116.4444 58.0487 32.2503 178.2300 92 I 3.9935 7.3506 118.5927 61.3056 39.4376 175.7585 93 F 4.9426 8.2517 116.5699 54.5817 39.1115 173.5834 94 P 4.5991 0.0000 0.0000 63.8694 31.8429 176.9027 95 G 3.5353 9.0250 110.5159 46.3895 0.0000 173.7046 *97 V 4.1188 7.5134 116.8441 62.4003 33.0200 174.7884 98 K 4.6246 8.7557 127.9827 55.0531 35.8634 174.0887 99 Y 4.9300 8.7730 128.4980 56.9340 40.8590 174.0568 100 I 4.3139 7.7917 127.8207 59.0393 37.2327 176.1161 101 E 3.7056 8.2557 126.5905 58.8954 29.7836 179.5789 102 E 4.1417 8.0410 118.3234 58.5517 29.6039 177.3039 103 T 4.3927 6.8468 102.8702 59.9827 70.0478 172.9214 104 N 4.2097 7.9725 118.8681 54.3162 37.7975 173.0497 105 V 4.7565 7.0605 115.5397 61.0506 36.4578 174.1849 106 V 4.9161 8.7395 124.1118 61.1292 34.2733 174.1098 107 L 4.9459 9.0051 128.3700 53.4919 43.7705 175.6221 108 I 4.1907 8.5461 124.8358 60.3867 39.2316 176.4776 109 G 3.9403 8.4168 118.6714 45.0265 0.0000 171.2952 110 D 4.5823 8.5497 116.7672 54.9236 41.7582 178.0184 111 K 4.4025 7.7475 115.2672 57.3846 34.9660 176.5574 112 V 4.2422 7.3108 118.0248 62.2112 32.9229 175.4118 113 R 5.0027 8.8255 123.3809 54.3266 32.9614 174.1461 114 V 4.6556 8.9914 122.3597 61.2236 34.4830 174.7635 115 S 5.0871 8.3104 122.9161 56.3095 65.8050 174.7062 116 E 4.2703 8.9088 118.1150 59.2514 29.2327 178.5158 117 I 3.9872 7.7161 118.2494 62.2056 37.8907 175.8976 118 G 2.8200 6.3837 106.4054 43.5304 0.0000 171.6558 119 V 4.1797 7.4365 120.3999 62.0281 32.7669 176.1540 120 E 4.5970 10.2308 127.3700 53.4029 32.3837 176.1243 121 G 4.2212 7.7024 110.6228 46.3919 0.0000 171.3773 122 V 4.4913 7.7689 111.9627 60.4919 35.6103 176.9775 123 G 3.8548 8.5920 109.5114 44.3546 0.0000 171.6900 124 P 4.2481 0.0000 0.0000 65.8458 31.0644 178.8329 125 V 3.7171 7.8244 115.9861 66.0812 31.5538 177.7278 126 A 4.0000 7.9841 119.9908 55.1479 18.2118 179.3242 127 E 3.9577 8.2522 117.1384 59.5487 29.5997 179.5176 128 R 3.9637 8.3923 118.6373 59.5167 30.1330 178.4061 129 A 4.4553 8.7335 120.9853 55.1796 18.3575 179.7465 130 K 4.0470 8.7109 117.5021 59.8157 32.1789 179.7744 131 R 4.0465 8.1849 118.3621 59.1516 29.9958 178.8752 132 L 4.1299 8.3204 120.2199 58.1559 42.0695 178.8494 133 F 4.3821 9.0068 121.0511 61.4068 39.1468 176.9430 134 E 3.9650 8.2758 117.0706 59.4369 29.6573 178.8703 135 E 4.1230 8.3296 118.5164 59.5476 29.3788 179.0950 136 F 4.2496 8.6468 119.4807 61.5395 39.4475 176.9148 137 L 3.6453 7.7862 117.8708 56.8039 41.4001 177.7559 138 K 4.1891 7.5256 122.3122 56.4903 32.2840 176.4774 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 12 F 8.13 5.10 0.00 3.23 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 13 V 7.91 3.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.88 0.00 0.00 14 A 7.84 4.00 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 15 E 8.22 4.01 0.00 2.19 2.25 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 2.65 2.39 0.00 16 L 8.04 4.01 0.00 1.85 1.82 1.15 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.22 4.37 0.00 3.11 2.91 0.00 0.00 6.66 6.95 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 18 N 7.78 4.47 0.00 2.82 3.11 0.00 0.00 7.18 7.59 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 19 L 8.17 4.51 0.00 1.83 1.66 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.16 4.29 0.00 1.69 1.62 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.08 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 22 R 7.78 4.66 0.00 1.83 1.99 0.00 3.30 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 23 E 8.59 4.75 0.00 1.99 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 2.29 2.53 0.00 24 V 8.99 4.72 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 0.61 0.00 0.00 0.99 0.00 0.00 25 Q 8.92 5.03 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.02 4.66 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 0.95 0.00 0.00 0.97 0.00 0.00 27 V 8.51 4.51 1.74 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 0.96 0.00 0.00 0.83 0.00 0.00 28 L 8.94 5.07 0.00 1.92 1.65 1.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.26 4.21 0.00 4.06 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 0.00 30 N 8.28 4.73 0.00 2.85 2.84 0.00 0.00 6.10 7.00 0.00 0.00 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 8.01 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 32 E 8.76 4.35 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 33 V 7.99 4.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.91 0.00 0.00 34 Y 9.00 5.00 0.00 2.96 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 35 K 8.73 5.00 0.00 1.79 1.64 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.37 7.81 36 G 8.47 4.39 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 0.00 37 V 7.95 4.31 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 0.77 0.00 0.00 0.94 0.00 0.00 38 L 9.26 4.30 0.00 1.92 1.57 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.21 4.70 0.00 3.09 3.44 0.00 6.03 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 40 A 7.64 4.74 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 41 V 8.27 4.94 2.13 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 0.80 0.00 0.00 1.02 0.00 0.00 42 D 8.51 5.00 0.00 2.92 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 43 N 8.61 4.32 0.00 2.69 2.87 0.00 0.00 6.82 7.69 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 44 Q 7.98 3.89 0.00 2.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 45 L 7.80 3.84 0.00 1.70 1.88 0.96 0.43 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 46 N 8.96 4.87 0.00 3.08 2.85 0.00 0.00 6.82 7.14 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 47 I 8.72 5.08 1.92 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 1.18 1.20 0.93 0.00 0.00 48 V 8.80 4.62 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 0.65 0.00 0.00 1.10 0.00 0.00 49 L 8.55 5.21 0.00 1.54 1.52 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.05 4.85 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 51 N 8.12 4.33 0.00 2.83 2.84 0.00 0.00 6.80 7.02 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 52 A 8.01 5.25 1.37 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 0.00 0.00 0.00 53 S 9.36 5.77 0.00 3.95 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 54 N 8.30 5.36 0.00 2.27 1.67 0.00 0.00 6.75 7.10 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 55 K 8.48 4.06 0.00 1.69 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.32 7.81 56 A 7.82 4.33 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 57 G 8.18 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 0.00 0.00 0.00 0.00 58 E 7.86 3.93 0.00 2.40 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 2.38 2.31 0.00 59 K 7.82 5.03 0.00 1.59 1.46 0.00 1.69 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.33 7.81 60 F 9.15 4.84 0.00 3.03 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 61 N 9.16 4.42 0.00 2.81 2.86 0.00 0.00 6.88 7.65 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 62 R 7.87 4.87 0.00 1.56 0.90 0.00 3.02 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 63 V 8.02 3.95 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 0.27 0.00 0.00 0.69 0.00 0.00 64 F 8.75 4.75 0.00 2.88 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 65 I 8.79 4.51 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.71 0.94 0.00 0.00 *67 Y 8.50 4.76 0.00 3.28 3.43 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 68 R 7.08 3.67 0.00 1.27 1.41 0.00 2.92 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.00 69 Y 7.68 4.37 0.00 3.14 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 70 I 7.44 4.35 2.00 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 1.20 0.58 1.02 0.00 0.00 71 V 8.98 4.21 2.25 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 0.88 0.00 0.00 1.00 0.00 0.00 72 H 7.77 5.01 0.00 3.19 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.26 5.02 1.76 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 1.38 0.72 0.93 0.00 0.00 74 D 9.58 5.08 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.51 4.90 0.00 3.78 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 76 T 8.72 4.42 4.23 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 1.20 0.00 0.00 77 E 7.68 4.54 0.00 1.95 1.89 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 2.26 2.25 0.00 78 R 8.31 4.44 0.00 1.74 1.78 0.00 3.09 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 1.49 1.58 0.00 79 R 8.23 4.56 0.00 1.74 1.81 0.00 3.37 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 80 I 8.45 3.82 1.95 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 1.20 0.43 1.18 0.00 0.00 81 D 8.65 4.91 0.00 2.88 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 *83 R 8.23 3.81 0.00 1.85 1.73 0.00 3.02 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 84 E 8.15 4.00 0.00 2.44 2.33 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 2.39 2.55 0.00 85 F 7.99 3.30 0.00 2.00 2.81 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 86 A 7.87 3.79 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 87 K 7.58 3.86 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 88 Q 7.88 4.04 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 89 A 8.16 3.87 0.94 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 0.00 0.00 90 E 8.32 4.10 0.00 2.14 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 0.00 2.30 2.39 0.00 91 K 7.78 4.14 0.00 1.89 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 92 I 7.35 3.99 1.49 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 -0.15 0.00 0.00 93 F 8.25 4.94 0.00 2.87 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 94 P 0.00 4.60 0.00 2.17 2.09 0.00 3.50 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 9.02 3.54 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 0.00 0.00 0.00 *97 V 7.51 4.12 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 0.82 0.00 0.00 1.01 0.00 0.00 98 K 8.76 4.62 0.00 1.84 1.57 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.38 7.81 99 Y 8.77 4.93 0.00 3.13 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 0.00 100 I 7.79 4.31 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.86 0.00 0.00 101 E 8.26 3.71 0.00 2.21 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 0.00 2.31 2.31 0.00 102 E 8.04 4.14 0.00 1.89 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 2.28 2.33 0.00 103 T 6.85 4.39 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 1.16 0.00 0.00 104 N 7.97 4.21 0.00 2.93 2.93 0.00 0.00 6.84 7.24 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 0.00 105 V 7.06 4.76 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 0.96 0.00 0.00 0.90 0.00 0.00 106 V 8.74 4.92 2.38 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 1.10 0.00 0.00 1.28 0.00 0.00 107 L 9.01 4.95 0.00 1.58 1.52 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.55 4.19 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.22 -0.13 0.00 0.00 109 G 8.42 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 0.00 0.00 0.00 110 D 8.55 4.58 0.00 2.63 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 0.00 111 K 7.75 4.40 0.00 1.69 1.75 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.31 4.24 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 0.94 0.00 0.00 0.84 0.00 0.00 113 R 8.83 5.00 0.00 1.83 1.90 0.00 2.71 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 114 V 8.99 4.66 2.04 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 0.24 0.00 0.00 0.97 0.00 0.00 115 S 8.31 5.09 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.91 4.27 0.00 2.05 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 0.00 2.45 2.46 0.00 117 I 7.72 3.99 1.84 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 1.23 0.38 0.87 0.00 0.00 118 G 6.38 2.82 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 0.00 119 V 7.44 4.18 1.99 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 0.76 0.00 0.00 0.77 0.00 0.00 120 E 10.23 4.60 0.00 1.79 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 0.00 2.14 2.12 0.00 121 G 7.70 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 0.00 0.00 0.00 122 V 7.77 4.49 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.59 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 0.00 124 P 0.00 4.25 0.00 2.21 2.17 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 125 V 7.82 3.72 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 0.87 0.00 0.00 0.97 0.00 0.00 126 A 7.98 4.00 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 0.00 127 E 8.25 3.96 0.00 2.22 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 2.56 2.49 0.00 128 R 8.39 3.96 0.00 2.05 2.42 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 129 A 8.73 4.46 1.46 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 0.00 0.00 0.00 130 K 8.71 4.05 0.00 2.02 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.80 7.81 131 R 8.18 4.05 0.00 2.12 2.05 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 132 L 8.32 4.13 0.00 1.94 2.19 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.01 4.38 0.00 3.23 3.26 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 0.00 134 E 8.28 3.96 0.00 2.06 2.04 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 2.81 2.59 0.00 135 E 8.33 4.12 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 136 F 8.65 4.25 0.00 3.20 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 0.00 137 L 7.79 3.65 0.00 1.54 1.48 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.53 4.19 0.00 1.81 1.66 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.