NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7615 8.2493 122.4643 51.9747 20.0146 175.8787 3 R 4.4985 8.8750 118.5133 54.3697 33.0850 172.8871 4 L 4.9156 8.3169 121.0124 54.5124 43.8761 176.9203 5 K 4.3970 8.9374 119.4935 56.0944 36.6183 174.9206 6 N 4.3628 8.8063 114.4273 54.3813 35.9674 174.3936 7 L 4.8630 7.6661 115.5340 51.8204 45.4647 174.9938 8 P 4.4401 0.0000 0.0000 63.0943 31.8501 176.1422 9 Q 4.5832 8.5979 117.9339 55.7818 30.9977 176.2021 10 E 4.4958 8.2326 115.1127 56.0416 31.9739 175.8495 11 R 4.5078 7.7266 117.9595 53.2037 32.1666 172.9994 12 P 4.4708 0.0000 0.0000 62.9211 31.9939 175.5571 13 L 4.8371 7.9259 118.6549 52.2235 45.9651 174.6551 14 P 4.4047 0.0000 0.0000 62.2747 32.2467 177.6171 15 L 3.9482 8.6379 123.3274 58.2718 41.9796 179.2483 16 A 4.0667 8.0322 120.4713 54.8815 18.1263 179.0039 17 S 4.3644 7.8103 111.0448 60.1924 63.3893 175.6466 18 L 4.2774 7.7833 121.6965 54.8889 42.0730 176.3320 19 I 4.5668 6.8261 117.1459 58.9934 41.0327 174.5830 20 E 4.2897 8.6732 126.1818 55.8087 30.3921 175.5828 21 A 4.8067 8.2386 122.3441 50.5015 21.4671 176.0641 22 R 4.7592 8.1745 119.6890 54.0955 34.2357 175.3770 23 E 4.1145 8.9843 121.5187 58.8560 29.7952 177.3507 24 N 5.0299 8.1399 111.5323 52.7608 40.0022 173.8684 25 Q 4.7037 7.9022 116.4344 53.8732 32.2526 174.4421 26 V 4.6707 8.2724 120.1019 61.3442 33.3704 174.7777 27 L 5.0475 8.9807 127.6652 53.3317 45.0115 175.9706 28 S 5.4724 8.3999 114.5972 56.5033 66.2510 172.4804 *30 A 4.0824 8.4449 120.9634 52.6414 19.2652 176.4581 31 L 5.2587 9.1904 120.2888 53.7874 43.3101 175.9284 32 A 4.9578 7.7524 119.6502 50.3480 22.6652 175.8964 33 Q 4.4531 9.2673 122.9812 54.9151 30.3753 174.1772 34 S 4.8610 8.3894 121.8769 57.9893 65.0330 174.4318 35 D 4.6000 9.0341 125.8528 55.0326 40.5236 177.9972 36 R 4.7108 8.0195 117.2316 58.2617 31.4949 182.2770 37 V 4.9634 7.5909 115.4650 60.6896 34.6532 174.2997 38 Q 4.6795 9.2021 123.2912 54.2469 31.3774 174.5853 39 I 5.0573 8.2219 123.7281 59.7061 40.8724 174.5923 40 S 4.7234 9.0742 122.0633 56.7843 67.8429 172.8698 41 L 4.9114 8.0357 121.7858 53.2702 43.9164 175.5443 42 F 5.5668 8.5362 120.2344 55.9632 43.8787 173.7337 43 S 4.7912 9.3104 115.1367 56.3718 66.8500 172.9518 44 F 5.3006 7.4280 115.4835 56.5167 41.1775 171.8486 45 A 5.2566 8.5302 119.1455 50.6838 22.0047 176.3707 46 D 4.6932 8.2236 120.0159 55.1130 40.2309 175.5582 47 G 4.4162 8.6351 113.3221 46.5206 0.0000 174.1550 48 E 3.9937 8.3436 122.7117 58.4639 28.2254 177.3538 49 S 3.8295 6.7794 112.0220 55.6822 64.0289 173.5574 50 V 3.4133 7.0850 122.4611 64.6007 29.7512 174.4736 51 S 4.5963 7.1864 115.9401 56.8059 64.0260 175.4768 52 E 4.4002 8.4408 122.1458 56.3515 29.9335 176.1518 53 E 4.5198 9.4457 124.0450 54.5560 33.6003 175.3138 54 E 4.4921 7.9125 122.8353 55.6528 31.7527 173.8511 55 Y 4.7897 8.3034 124.8095 56.6925 40.2076 176.9872 56 F 4.0005 9.1738 119.3731 58.8145 39.6248 175.5730 57 G 4.7587 7.6615 106.4774 42.7414 0.0000 171.9818 58 D 5.0292 8.5778 119.1322 54.7288 42.0724 175.9418 59 T 5.0588 8.5371 117.9501 61.5439 72.2054 173.2448 60 L 4.8817 8.7312 125.7711 54.1637 43.3982 174.6648 61 Y 5.2229 8.9107 120.4077 56.2042 40.6096 174.3945 62 L 5.2535 8.8840 125.6978 53.2934 44.8537 175.7560 63 I 4.1734 8.8986 128.5070 61.3435 37.6339 176.7409 64 L 4.4238 8.9771 127.7690 56.7668 42.9151 176.9938 65 Q 4.4190 8.2195 116.8100 56.3472 32.4556 175.4193 66 G 4.4541 8.8649 113.1881 45.5972 0.0000 171.8791 67 E 4.9617 8.2558 115.8131 54.6236 33.4548 175.2068 68 A 4.5382 8.2873 122.3644 50.5620 23.7254 175.0968 69 V 4.6407 8.4383 118.1003 61.3472 35.2679 174.0177 70 I 4.7299 8.8477 128.3092 59.7131 39.9751 174.5156 71 T 4.9527 8.3316 123.5249 61.6141 71.4509 173.5842 72 F 4.5871 9.4203 122.3039 58.3125 40.7381 172.8430 73 D 4.8138 9.7861 129.0983 53.3660 38.3730 170.9983 74 D 5.0858 7.7849 117.1590 52.6606 42.6644 177.9931 75 Q 4.6667 8.1511 117.5242 56.0250 33.1004 173.9145 76 K 4.9357 8.5937 124.6129 53.6425 34.0662 175.1523 77 I 4.4520 8.7850 127.1098 58.6675 39.2833 174.9039 78 D 5.0238 8.6576 127.1115 53.7208 42.1067 175.9116 79 L 5.0675 8.8800 121.5916 53.1330 46.0884 175.9555 80 V 4.7534 9.0370 114.7314 58.3805 36.2071 173.4129 81 P 4.6019 0.0000 0.0000 64.6920 31.5029 176.8914 82 E 4.1534 9.2576 121.5529 56.4092 29.0592 175.1206 83 D 4.7043 8.0014 119.1984 54.3814 41.9553 175.8422 84 V 4.9835 8.3541 121.2273 60.3283 34.1214 174.9295 85 L 4.4768 8.5203 123.9400 54.1785 46.0264 174.1631 *87 V 4.2893 8.3662 117.3421 62.2556 32.8320 174.6603 88 P 5.0059 0.0000 0.0000 62.0466 32.8663 175.5233 89 A 4.2661 8.7672 123.1504 53.9074 18.5413 177.9294 90 H 4.1723 9.2741 118.4693 55.8336 27.1229 174.6371 91 K 4.3253 7.8601 122.1419 55.5498 32.4465 176.5672 92 I 4.3846 8.4347 129.4343 61.7227 37.8148 175.0219 93 H 5.2233 9.2356 121.0063 54.8453 32.4235 172.1501 94 A 4.8769 8.7796 119.8181 50.2529 22.8136 174.8824 95 I 4.9064 8.3028 119.2619 59.1423 40.9748 174.4579 96 A 4.9891 8.6957 129.2108 50.1217 23.1472 175.5301 97 G 3.5009 9.0281 107.6021 45.9003 0.0000 173.4346 98 K 4.4096 8.3987 123.5499 54.7637 31.2104 178.3453 99 G 3.8101 9.1321 113.8471 44.4220 0.0000 170.4030 100 R 4.7250 8.3057 117.8364 56.5393 31.5658 175.8735 101 F 5.0326 8.8009 116.3516 55.9918 42.0102 172.6790 102 K 5.1435 8.7912 118.0373 53.1514 36.8101 174.9998 *104 L 4.5622 8.1850 121.7168 55.2121 43.5953 174.8766 105 Q 5.0729 9.2746 126.9039 54.3361 32.3421 173.9407 106 I 4.9343 8.6399 126.5595 59.8590 40.5125 174.4760 107 T 4.8952 8.8485 124.1403 61.3818 72.0538 173.4775 108 L 4.4576 8.8321 127.1415 54.8918 42.9780 176.5464 109 I 4.2151 8.5940 125.8249 59.9220 36.6424 175.8358 110 D 4.3035 8.3783 125.2725 54.9198 41.5483 177.0966 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 A 8.25 4.76 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 3 R 8.87 4.50 0.00 1.83 1.97 0.00 2.76 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 4 L 8.32 4.92 0.00 1.54 1.61 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.94 4.40 0.00 1.76 1.85 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.39 7.81 6 N 8.81 4.36 0.00 2.98 2.91 0.00 0.00 6.69 7.85 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 7 L 7.67 4.86 0.00 1.56 1.50 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.44 0.00 2.29 2.04 0.00 3.70 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 1.98 1.98 0.00 9 Q 8.60 4.58 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 10 E 8.23 4.50 0.00 1.91 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 2.19 2.24 0.00 11 R 7.73 4.51 0.00 1.71 1.77 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 12 P 0.00 4.47 0.00 2.21 2.04 0.00 3.76 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 1.98 1.99 0.00 13 L 7.93 4.84 0.00 1.58 1.53 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.40 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 15 L 8.64 3.95 0.00 1.75 1.66 0.91 1.00 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 16 A 8.03 4.07 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 17 S 7.81 4.36 0.00 4.05 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 18 L 7.78 4.28 0.00 1.72 1.73 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 I 6.83 4.57 1.83 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 1.28 0.85 0.88 0.00 0.00 20 E 8.67 4.29 0.00 2.00 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 0.00 2.31 2.30 0.00 21 A 8.24 4.81 1.17 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 22 R 8.17 4.76 0.00 1.94 1.81 0.00 3.39 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 23 E 8.98 4.11 0.00 1.93 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 0.00 2.31 2.42 0.00 24 N 8.14 5.03 0.00 2.73 2.80 0.00 0.00 6.67 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 25 Q 7.90 4.70 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 V 8.27 4.67 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 0.85 0.00 0.00 0.82 0.00 0.00 27 L 8.98 5.05 0.00 1.68 1.53 0.95 0.56 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 28 S 8.40 5.47 0.00 3.55 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 *30 A 8.44 4.08 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 31 L 9.19 5.26 0.00 1.49 1.63 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.75 4.96 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 33 Q 9.27 4.45 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 34 S 8.39 4.86 0.00 3.86 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 35 D 9.03 4.60 0.00 2.73 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 36 R 8.02 4.71 0.00 1.50 1.95 0.00 3.22 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 37 V 7.59 4.96 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 0.83 0.00 0.00 0.96 0.00 0.00 38 Q 9.20 4.68 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 39 I 8.22 5.06 1.83 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 1.31 0.71 0.88 0.00 0.00 40 S 9.07 4.72 0.00 3.33 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 41 L 8.04 4.91 0.00 1.43 1.46 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.54 5.57 0.00 3.00 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 43 S 9.31 4.79 0.00 3.82 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 44 F 7.43 5.30 0.00 3.07 3.11 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 0.00 0.00 0.00 45 A 8.53 5.26 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 46 D 8.22 4.69 0.00 2.95 2.35 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 47 G 8.64 4.42 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 48 E 8.34 3.99 0.00 2.62 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 2.35 2.13 0.00 49 S 6.78 3.83 0.00 2.72 2.63 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 50 V 7.09 3.41 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 0.76 0.00 0.00 1.15 0.00 0.00 51 S 7.19 4.60 0.00 3.67 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 0.00 52 E 8.44 4.40 0.00 1.78 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 2.25 2.29 0.00 53 E 9.45 4.52 0.00 1.27 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 2.18 2.26 0.00 54 E 7.91 4.49 0.00 1.79 1.61 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 1.87 2.14 0.00 55 Y 8.30 4.79 0.00 3.08 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 56 F 9.17 4.00 0.00 3.09 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 57 G 7.66 4.76 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 58 D 8.58 5.03 0.00 2.61 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 59 T 8.54 5.06 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 0.47 0.00 0.00 60 L 8.73 4.88 0.00 1.69 1.71 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.91 5.22 0.00 3.00 2.94 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 62 L 8.88 5.25 0.00 1.64 1.58 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.90 4.17 2.08 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 1.42 0.68 1.08 0.00 0.00 64 L 8.98 4.42 0.00 1.62 1.73 0.93 0.76 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 65 Q 8.22 4.42 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.59 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 66 G 8.86 4.45 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 0.00 67 E 8.26 4.96 0.00 1.81 1.71 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 2.23 2.24 0.00 68 A 8.29 4.54 0.23 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 69 V 8.44 4.64 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 0.91 0.00 0.00 0.85 0.00 0.00 70 I 8.85 4.73 1.47 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.34 0.32 0.00 0.00 71 T 8.33 4.95 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 1.19 0.00 0.00 72 F 9.42 4.59 0.00 3.01 3.34 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 73 D 9.79 4.81 0.00 2.90 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 74 D 7.78 5.09 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.67 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 76 K 8.59 4.94 0.00 1.51 1.58 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.00 7.81 77 I 8.79 4.45 1.81 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.93 0.00 0.00 78 D 8.66 5.02 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.88 5.07 0.00 1.44 1.45 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 V 9.04 4.75 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 0.81 0.00 0.00 1.00 0.00 0.00 81 P 0.00 4.60 0.00 2.05 2.02 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.39 0.00 82 E 9.26 4.15 0.00 2.10 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 2.22 2.27 0.00 83 D 8.00 4.70 0.00 2.74 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 84 V 8.35 4.98 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 0.74 0.00 0.00 1.00 0.00 0.00 85 L 8.52 4.48 0.00 1.84 1.70 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *87 V 8.37 4.29 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 1.01 0.00 0.00 1.30 0.00 0.00 88 P 0.00 5.01 0.00 2.16 2.16 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 89 A 8.77 4.27 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 90 H 9.27 4.17 0.00 3.27 3.43 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.86 4.33 0.00 1.81 1.89 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.58 7.81 92 I 8.43 4.38 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.89 0.00 0.00 93 H 9.24 5.22 0.00 3.15 3.63 0.00 5.21 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 94 A 8.78 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.30 4.91 1.53 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 1.25 0.71 0.80 0.00 0.00 96 A 8.70 4.99 1.18 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 97 G 9.03 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.41 0.00 1.50 1.70 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.23 7.81 99 G 9.13 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 0.00 100 R 8.31 4.72 0.00 1.81 1.87 0.00 3.38 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 101 F 8.80 5.03 0.00 3.21 3.07 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 0.00 0.00 0.00 102 K 8.79 5.14 0.00 1.65 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.12 7.81 *104 L 8.18 4.56 0.00 1.83 1.64 0.94 0.60 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 0.00 105 Q 9.27 5.07 0.00 2.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.52 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 106 I 8.64 4.93 1.81 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 1.19 0.65 0.86 0.00 0.00 107 T 8.85 4.90 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 0.94 0.00 0.00 108 L 8.83 4.46 0.00 1.59 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.59 4.22 2.07 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 1.22 0.80 0.93 0.00 0.00 110 D 8.38 4.30 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.