NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9520 8.1400 114.7984 57.7944 64.6875 173.9413 2 L 3.9979 8.6459 124.3968 58.4651 41.7517 178.3005 3 L 4.0655 8.7912 119.7943 57.8579 41.9803 178.7651 4 E 4.0379 8.1468 118.1280 59.3339 29.3013 179.0856 5 F 4.6473 8.8116 121.1670 61.4669 39.4832 177.3853 6 G 3.5370 8.4566 105.4379 47.6548 0.0000 175.6161 7 K 4.0278 8.1517 122.0801 59.3831 32.2542 178.6133 8 M 4.3896 8.3409 120.0490 58.1505 32.0710 178.2256 9 I 3.6119 7.9541 120.2853 64.2598 37.1819 178.1373 10 L 4.3601 7.8260 122.3340 57.7416 42.0665 178.6996 11 E 3.9693 8.4752 118.8206 59.4971 29.1935 179.1349 12 E 4.0712 8.2032 118.2743 58.9293 29.9151 177.9642 13 T 4.4382 8.2511 107.5559 60.9504 70.2516 175.7258 14 G 3.7928 8.2293 109.8862 45.5958 0.0000 172.9711 *16 K 4.2162 7.4765 117.8958 55.8290 33.4760 175.1541 17 L 4.2477 8.2009 122.7612 54.3607 42.5596 177.7780 18 A 4.0185 8.9281 126.6234 54.8285 18.5131 177.1474 19 I 4.6260 7.6725 116.4446 59.4446 38.1626 173.6392 20 P 4.9132 0.0000 0.0000 61.7588 31.7151 176.4681 21 S 4.3087 7.9660 116.2316 60.9230 62.6893 174.6053 22 Y 4.7585 8.1992 114.7270 57.3931 38.9619 176.1561 23 S 4.7253 8.1486 115.8027 59.5549 64.2777 175.3533 24 S 4.6282 7.8229 116.2936 57.8850 63.4800 172.2970 25 Y 4.8016 8.1556 122.0814 58.3996 40.0453 175.2991 26 G 3.4203 8.1198 116.8224 46.9070 0.0000 173.1398 27 C 4.5564 9.4078 116.9856 57.8894 39.3550 173.8697 28 Y 4.4651 8.6844 115.3017 57.3907 39.8853 174.2810 29 C 4.7758 8.5324 119.0352 57.2238 40.9423 174.2819 30 G 4.5802 10.3641 113.4171 46.7227 0.0000 173.6583 31 W 4.9630 7.9394 123.5436 55.9486 33.6119 175.6035 32 G 3.8775 8.9312 105.3856 45.7743 0.0000 171.5071 33 G 4.1443 9.4170 109.8277 44.5072 0.0000 174.9453 34 K 4.7800 7.5577 116.8795 53.9133 37.2891 175.9667 35 G 4.4795 9.3032 106.5409 45.3014 0.0000 173.1470 36 T 4.3054 8.0016 115.5001 61.4405 69.1809 173.6252 37 P 4.6365 0.0000 0.0000 63.0225 31.8932 176.8529 38 K 3.7926 8.7389 121.4686 59.1605 32.3346 176.1394 39 D 4.4110 7.3037 115.6317 51.4287 41.8947 175.5339 40 A 4.0068 8.6451 119.8698 55.9375 18.0391 179.8202 41 T 4.0159 8.0574 113.6372 67.0077 68.5228 176.1974 42 D 4.6124 8.8929 120.0624 57.4948 41.1703 178.5117 43 R 3.9498 8.2554 118.7812 59.1637 29.9400 178.2021 44 C 4.1958 8.3284 116.5268 60.4245 38.9025 175.6495 45 C 4.3449 8.2170 117.7399 59.7443 40.8213 175.7391 46 F 3.6358 8.5453 122.6671 61.3670 38.8592 177.4348 47 V 3.4632 8.0441 117.7622 66.1232 31.2504 177.3965 48 H 3.8375 8.2722 118.0979 59.1677 29.6027 176.9673 49 D 4.1318 8.2100 121.0100 57.5606 40.7015 178.1416 50 C 4.0683 7.8631 117.0182 59.8909 39.8826 175.3506 51 C 4.1096 7.9510 119.4631 60.0409 44.5814 175.0018 52 Y 4.3513 7.9859 118.4590 61.0476 37.1621 178.8653 53 G 3.6077 8.0159 105.7219 47.3425 0.0000 174.9130 54 N 4.5712 7.8450 116.9657 54.2387 39.8287 174.9985 55 L 4.8065 7.4925 119.6619 52.3134 42.0771 174.5253 56 P 4.1404 0.0000 0.0000 66.0632 32.1610 178.4542 *59 D 4.9971 7.8787 114.8834 54.3356 42.4788 175.4592 *61 C 5.0485 7.6579 115.6311 57.3226 42.8801 172.8609 *67 N 4.7228 7.9689 116.6410 52.3525 38.7489 173.3159 68 P 3.9721 0.0000 0.0000 65.3764 32.1829 179.2867 69 K 4.0994 8.0989 117.3738 58.5630 32.2182 178.5529 70 S 4.4338 7.7783 111.0536 58.7690 64.8629 174.0876 71 D 4.3997 8.1055 121.3158 53.9629 41.3301 175.3933 72 R 4.4869 8.4080 125.8174 55.0091 31.4931 175.0631 73 Y 4.9633 7.8343 119.1513 55.0259 41.1590 174.6357 74 K 4.9864 8.5649 118.9696 55.0442 35.1428 174.9809 75 Y 5.5176 8.2687 120.3483 55.7147 41.4439 173.3737 76 K 4.7052 9.2216 118.8045 55.3856 36.9628 174.6784 77 R 5.0929 8.5382 118.7948 54.5430 32.3913 176.6950 78 V 4.1259 8.8136 124.3153 61.5303 32.1907 175.2097 79 N 4.1538 8.6379 127.6924 53.7442 36.9117 175.5203 80 G 3.7034 8.7331 108.6529 48.1672 0.0000 173.4583 81 A 4.1981 7.8411 124.3318 51.8863 19.0845 176.4294 82 I 4.6014 8.1942 123.2333 60.7881 38.4757 175.6040 83 V 4.3424 8.9572 127.1703 60.9627 33.8798 173.9852 84 C 4.8407 8.9111 126.2817 57.2478 40.6087 173.3048 85 E 4.7772 8.9374 123.4506 54.3199 31.3662 176.0662 86 K 4.3978 7.9374 123.4092 56.0734 33.5660 175.4175 *88 G 4.2168 8.2906 114.8542 45.3652 0.0000 172.8183 89 T 4.2425 8.7239 115.1364 60.9128 71.0671 175.8636 90 S 4.0815 8.4888 116.3636 61.9193 62.8132 177.1534 91 C 4.2282 8.1534 119.7262 59.7106 40.6580 175.8187 92 E 3.9987 8.1481 119.9664 59.4821 28.7445 179.1069 93 N 4.2659 8.3170 116.5302 56.5390 38.6270 177.7639 94 R 3.9582 7.9865 119.3174 59.1002 30.1441 179.1402 95 I 3.6205 8.0214 120.0778 64.4548 37.0802 177.5197 96 C 2.9305 7.9340 119.3270 59.4371 38.9252 175.5644 97 E 3.7777 7.9373 120.0037 59.3786 28.9928 178.7382 98 C 4.1646 8.0361 116.6464 60.0609 41.2282 175.9516 99 D 3.8492 7.9570 120.3889 56.9547 40.3935 178.4957 100 K 3.6903 8.1726 120.3592 59.5425 32.0454 178.5181 101 A 3.8628 7.7747 120.4226 55.1235 18.2442 179.4617 102 A 3.4891 7.7598 118.9311 54.9963 18.3723 179.7366 103 A 3.8588 8.1012 119.3661 55.3002 18.3930 179.9142 104 I 3.6094 7.7593 118.3483 64.5934 36.9435 177.8018 105 C 4.1804 8.0581 118.4369 59.6942 37.8696 175.2720 106 F 4.5990 8.1091 119.7302 60.7164 38.0320 177.5903 107 R 3.9534 8.1029 118.3146 59.5550 29.6962 178.2941 108 Q 4.2177 8.3427 117.9670 57.9474 29.2382 176.1799 109 N 5.0805 7.6983 115.5545 52.9645 39.5772 176.2525 110 L 4.1896 7.8455 120.9960 57.7522 41.7754 179.2052 111 N 4.5299 8.3141 114.9716 54.9898 37.2288 175.3379 112 T 4.5931 7.8127 106.6579 60.7322 69.8546 173.4450 113 Y 4.0895 7.8211 124.1374 58.5223 39.3982 175.0139 114 S 4.7268 8.7495 120.6400 56.0883 65.0487 174.8882 115 K 4.1209 8.8440 127.4526 59.0713 32.0562 179.0568 116 K 3.8186 7.7605 116.8783 59.2549 32.4710 176.9646 117 Y 4.4177 7.2909 116.3506 57.9790 38.0878 175.2198 118 M 4.4350 7.6986 120.8583 56.2090 32.5978 175.9902 119 L 3.6689 8.2594 120.8046 55.6537 40.0210 174.6297 120 Y 4.1710 8.1411 118.9721 56.7539 39.6401 173.4977 121 P 4.3680 0.0000 0.0000 62.3000 32.5011 176.4432 122 D 4.2499 8.9862 121.7590 57.3324 41.1388 178.1626 *124 F 4.7279 7.8369 111.0664 56.5654 39.5562 175.3080 125 L 3.8158 6.7869 119.0253 54.8761 41.2921 176.2660 126 C 4.8981 8.0967 117.7568 54.8037 38.7659 173.1215 127 K 4.7067 8.3911 123.0454 55.2463 35.5726 176.9162 128 G 4.2488 8.8462 107.8163 45.9519 0.0000 172.5856 129 E 4.6360 8.3336 120.6638 55.0809 30.6641 175.9645 130 L 4.6751 8.3715 123.4463 52.9243 44.2197 176.2429 131 K 4.1416 8.5540 125.9844 56.5635 32.8903 177.8916 *133 C 4.6490 8.6311 118.9029 57.4487 41.5394 173.7768 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 1 S 8.14 4.95 0.00 4.14 4.11 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 2 L 8.65 4.00 0.00 1.92 1.85 1.22 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.79 4.07 0.00 1.76 1.74 0.95 1.00 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 4 E 8.15 4.04 0.00 2.10 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 2.26 2.24 0.00 5 F 8.81 4.65 0.00 3.42 3.38 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 6 G 8.46 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 7 K 8.15 4.03 0.00 1.91 2.08 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.50 7.81 8 M 8.34 4.39 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 9 I 7.95 3.61 1.81 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 1.14 0.11 0.65 0.00 0.00 10 L 7.83 4.36 0.00 1.77 1.82 0.89 0.61 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 11 E 8.48 3.97 0.00 2.30 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 2.39 2.53 0.00 12 E 8.20 4.07 0.00 2.13 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 2.44 2.37 0.00 13 T 8.25 4.44 4.27 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 1.23 0.00 0.00 14 G 8.23 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 0.00 0.00 0.00 *16 K 7.48 4.22 0.00 1.89 1.64 0.00 1.39 0.00 0.00 0.85 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 17 L 8.20 4.25 0.00 1.69 1.74 0.91 0.91 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 18 A 8.93 4.02 1.26 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 19 I 7.67 4.63 1.90 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 1.53 0.71 0.94 0.00 0.00 20 P 0.00 4.91 0.00 2.18 2.13 0.00 3.35 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 21 S 7.97 4.31 0.00 3.74 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 22 Y 8.20 4.76 0.00 2.81 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 23 S 8.15 4.73 0.00 4.10 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 24 S 7.82 4.63 0.00 4.01 4.07 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 25 Y 8.16 4.80 0.00 3.10 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 26 G 8.12 3.42 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 27 C 9.41 4.56 0.00 2.82 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 28 Y 8.68 4.47 0.00 3.54 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 29 C 8.53 4.78 0.00 3.50 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 30 G 10.36 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.94 4.96 0.00 3.26 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 32 G 8.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.42 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 34 K 7.56 4.78 0.00 1.71 1.90 0.00 1.80 0.00 0.00 2.41 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 35 G 9.30 4.48 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 0.00 36 T 8.00 4.31 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 1.16 0.00 0.00 37 P 0.00 4.64 0.00 1.95 2.05 0.00 3.48 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 1.59 1.79 0.00 38 K 8.74 3.79 0.00 0.79 0.74 0.00 1.70 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.89 0.21 7.81 39 D 7.30 4.41 0.00 2.81 2.74 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 0.00 0.00 0.00 0.00 40 A 8.65 4.01 1.42 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 41 T 8.06 4.02 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 0.99 0.00 0.00 42 D 8.89 4.61 0.00 2.99 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 43 R 8.26 3.95 0.00 2.09 1.95 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 44 C 8.33 4.20 0.00 3.30 2.79 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 45 C 8.22 4.34 0.00 3.39 3.52 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 46 F 8.55 3.64 0.00 2.64 3.04 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 47 V 8.04 3.46 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 0.94 0.00 0.00 1.04 0.00 0.00 48 H 8.27 3.84 0.00 3.09 3.28 0.00 5.64 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 49 D 8.21 4.13 0.00 2.61 2.58 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 0.00 0.00 0.00 0.00 50 C 7.86 4.07 0.00 2.91 2.96 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 0.00 0.00 0.00 51 C 7.95 4.11 0.00 2.94 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 52 Y 7.99 4.35 0.00 3.02 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 53 G 8.02 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 54 N 7.84 4.57 0.00 2.84 2.85 0.00 0.00 6.78 7.83 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 55 L 7.49 4.81 0.00 1.58 1.52 0.86 0.85 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 56 P 0.00 4.14 0.00 2.14 2.11 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 *59 D 7.88 5.00 0.00 2.74 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 *61 C 7.66 5.05 0.00 3.03 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 *67 N 7.97 4.72 0.00 2.73 2.77 0.00 0.00 7.59 8.03 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 68 P 0.00 3.97 0.00 1.33 0.49 0.00 3.35 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 1.29 1.35 0.00 69 K 8.10 4.10 0.00 1.82 1.90 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.46 7.81 70 S 7.78 4.43 0.00 3.94 3.95 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 71 D 8.11 4.40 0.00 2.73 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 72 R 8.41 4.49 0.00 1.80 1.87 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 73 Y 7.83 4.96 0.00 3.06 3.06 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 74 K 8.56 4.99 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.27 5.52 0.00 3.10 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 76 K 9.22 4.71 0.00 1.80 1.91 0.00 1.29 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.54 5.09 0.00 1.73 2.15 0.00 3.39 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 78 V 8.81 4.13 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 79 N 8.64 4.15 0.00 2.91 2.74 0.00 0.00 7.13 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 80 G 8.73 3.70 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 0.00 0.00 0.00 81 A 7.84 4.20 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 82 I 8.19 4.60 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.79 0.00 0.00 83 V 8.96 4.34 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.91 4.84 0.00 2.97 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 E 8.94 4.78 0.00 2.03 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 0.00 2.31 2.47 0.00 86 K 7.94 4.40 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.29 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 89 T 8.72 4.24 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 1.28 0.00 0.00 90 S 8.49 4.08 0.00 4.05 4.16 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 91 C 8.15 4.23 0.00 2.97 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 92 E 8.15 4.00 0.00 2.31 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 0.00 2.54 2.54 0.00 93 N 8.32 4.27 0.00 2.85 2.84 0.00 0.00 7.08 7.31 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 94 R 7.99 3.96 0.00 1.82 1.92 0.00 3.10 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 1.61 1.76 0.00 95 I 8.02 3.62 1.92 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 1.18 0.76 0.99 0.00 0.00 96 C 7.93 2.93 0.00 2.21 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 97 E 7.94 3.78 0.00 2.07 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 2.43 2.42 0.00 98 C 8.04 4.16 0.00 3.19 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 99 D 7.96 3.85 0.00 2.71 2.77 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 0.00 100 K 8.17 3.69 0.00 1.63 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.77 3.86 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 0.00 102 A 7.76 3.49 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 0.00 103 A 8.10 3.86 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 0.00 104 I 7.76 3.61 1.94 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 1.38 0.65 0.88 0.00 0.00 105 C 8.06 4.18 0.00 2.91 2.99 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 0.00 106 F 8.11 4.60 0.00 3.01 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 0.00 107 R 8.10 3.95 0.00 1.97 2.14 0.00 3.17 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.34 4.22 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.70 5.08 0.00 3.00 2.86 0.00 0.00 6.83 6.98 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 0.00 110 L 7.85 4.19 0.00 1.80 1.76 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.31 4.53 0.00 2.87 3.00 0.00 0.00 5.80 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 0.00 112 T 7.81 4.59 4.32 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 1.27 0.00 0.00 113 Y 7.82 4.09 0.00 3.01 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 0.00 114 S 8.75 4.73 0.00 3.83 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 0.00 115 K 8.84 4.12 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.61 7.81 116 K 7.76 3.82 0.00 1.60 1.71 0.00 1.16 0.00 0.00 1.41 0.00 0.00 2.19 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.58 0.25 7.81 117 Y 7.29 4.42 0.00 1.71 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 0.00 0.00 0.00 0.00 118 M 7.70 4.44 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 119 L 8.26 3.67 0.00 1.82 1.74 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.14 4.17 0.00 3.04 3.04 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 0.00 121 P 0.00 4.37 0.00 2.41 2.18 0.00 2.80 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 1.43 1.81 0.00 122 D 8.99 4.25 0.00 2.76 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 *124 F 7.84 4.73 0.00 3.23 3.14 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 0.00 125 L 6.79 3.82 0.00 1.06 1.51 0.39 0.29 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 0.00 126 C 8.10 4.90 0.00 3.02 3.22 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 0.00 127 K 8.39 4.71 0.00 1.78 1.68 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 128 G 8.85 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 0.00 0.00 0.00 129 E 8.33 4.64 0.00 2.02 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 2.35 2.28 0.00 130 L 8.37 4.68 0.00 1.57 1.55 0.58 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.55 4.14 0.00 1.83 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.49 7.81 *133 C 8.63 4.65 0.00 2.95 2.99 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 * Residues marked with a * may have inaccurate shift predictions.