NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.4037 7.8676 114.4151 61.1222 40.0042 174.1950 3 D 4.8545 8.2935 122.8151 50.8722 41.7419 172.5645 4 V 3.5243 8.9791 109.1300 63.2316 32.5696 179.3537 *6 Q 4.2257 8.1399 120.6862 56.1446 30.6883 177.3761 7 I 3.6633 8.1346 118.8217 64.6427 37.3517 178.5474 8 Q 4.0368 8.2967 118.9551 58.5604 28.6262 177.8751 9 E 4.1360 7.7575 117.3623 57.9267 29.8443 176.3447 10 I 4.1033 6.9926 114.4810 63.1855 39.3405 176.0784 11 L 4.1001 7.8352 119.7215 53.7087 42.0910 175.5628 12 P 4.5177 0.0000 0.0000 63.5309 32.1508 176.1787 13 H 4.1989 8.3562 116.5513 56.6575 29.2368 174.3587 14 R 4.7936 8.2128 120.3651 53.8900 34.2211 173.9182 15 Y 4.4433 8.6455 120.2295 57.9115 38.9920 173.9775 16 P 4.2289 0.0000 0.0000 62.8336 31.8891 175.3281 17 F 4.5032 8.5943 119.1674 58.6625 39.9357 174.2054 18 L 4.4435 8.1231 121.5818 53.4612 41.5476 175.2205 19 L 4.6572 8.3581 125.6230 54.1381 42.0441 176.4618 20 V 4.5016 7.5094 117.8916 61.3073 33.9017 174.8017 21 D 4.5855 8.7683 127.1975 56.2811 41.9022 176.9310 22 K 4.4366 7.2380 116.4665 55.3521 35.7062 174.2239 23 I 4.7969 8.7150 128.7215 60.2439 37.7417 175.6655 24 T 4.3956 9.1028 118.7943 63.5715 70.0991 175.0519 25 E 4.7548 7.9605 121.4676 54.7252 33.4815 174.1084 26 L 4.8489 8.5313 128.0984 54.0505 44.7620 175.0107 27 K 4.6113 9.0385 127.5711 54.2623 34.1646 176.7843 28 V 3.8161 8.5638 118.7437 63.1969 31.9651 176.9415 29 K 4.3862 9.2567 121.1299 57.1806 29.0566 175.3300 30 E 4.5516 7.4437 118.1812 56.1605 32.1861 174.7859 31 V 5.1159 8.3084 116.3301 60.5511 35.6371 173.1326 32 V 4.9872 8.4164 120.8207 60.2159 34.4620 174.2402 33 L 5.0970 9.4390 124.3923 53.1427 44.9824 175.9153 34 G 4.6798 8.9113 109.3426 46.0842 0.0000 170.6906 35 Y 5.2657 8.9256 117.1697 55.6075 42.0928 173.6925 36 K 4.8859 8.7153 120.9570 54.5493 35.3373 174.7230 37 N 4.9213 10.2397 126.6371 53.1905 39.5542 174.4654 38 I 4.4808 8.4260 124.6146 59.7194 39.5686 174.7755 39 S 4.9459 8.5515 120.4467 56.3520 66.0703 174.3169 40 I 3.9347 8.4063 117.1016 61.9733 37.3928 176.5933 41 S 4.4097 7.8593 114.9845 59.1415 63.6077 173.4966 42 D 4.7799 8.3075 123.3914 53.6492 41.5804 176.5275 43 H 4.2455 9.2653 122.5724 58.6980 28.7760 176.6243 44 V 3.3469 7.6270 119.6411 65.6941 31.8594 176.5946 45 F 4.4625 7.5829 118.9103 56.9120 37.2812 175.7309 *47 G 3.8859 7.7210 110.5149 45.6618 0.0000 171.7623 48 H 3.9945 8.0869 122.3945 54.7327 28.7471 176.2975 49 F 4.9109 8.7279 119.9305 57.2541 37.3881 171.0272 50 P 4.2809 0.0000 0.0000 63.8071 31.4106 176.7132 51 G 3.9992 9.6924 110.4617 46.2879 0.0000 173.9480 52 H 4.9580 8.3004 118.5647 54.4894 31.3090 169.5546 53 P 4.9514 0.0000 0.0000 62.4204 32.2406 176.6539 54 I 4.9155 8.2751 125.6717 59.1699 40.0622 174.8741 55 Y 4.0344 9.4996 129.7067 56.6756 39.4234 173.9338 56 P 4.0058 0.0000 0.0000 62.3777 32.3098 177.0036 57 G 3.5339 8.7707 110.2615 48.3393 0.0000 176.1379 58 V 3.8014 7.4823 114.0813 63.8240 31.4987 178.4760 59 L 3.9575 7.6691 118.9618 57.2601 41.0944 179.2993 60 I 4.0192 7.5552 119.4177 64.5142 37.1971 177.8026 61 L 4.1200 8.0738 117.8113 58.0664 41.7361 178.8734 62 E 4.0921 8.1661 118.8551 58.8695 29.4505 179.3810 63 G 3.9860 8.2242 104.4620 44.5533 0.0000 175.0403 *65 A 3.3349 7.9824 125.6856 51.5725 20.6990 180.1066 66 Q 3.9312 7.8801 114.9112 59.1379 28.7733 178.8951 67 T 3.8549 7.5500 116.9697 66.6539 68.4262 176.9127 68 G 3.3577 7.8761 107.1133 47.3079 0.0000 175.6825 69 G 3.7790 8.0646 108.0293 47.8032 0.0000 175.8475 70 V 3.6712 7.6911 120.8346 65.5393 31.3478 177.6155 71 L 3.9883 7.6032 118.0369 58.1962 42.2875 178.4026 72 A 3.3494 8.2205 120.7610 55.2471 18.0638 179.6982 73 F 3.9884 8.2413 114.9347 60.5444 39.0482 177.2184 74 E 4.3362 8.3760 116.4550 57.1882 30.7135 178.4904 75 S 4.5454 7.4434 117.1944 56.6608 60.6830 173.9398 *77 E 4.2141 7.9055 125.0343 56.0880 32.3751 177.5956 *83 K 4.2915 7.5935 122.7884 56.3539 33.2615 179.5566 84 S 4.6583 8.9103 129.5172 57.7441 61.8440 172.1531 85 K 4.9310 8.4463 125.5166 55.1751 36.6205 175.5626 86 V 4.4988 9.3340 122.2864 61.3539 34.3285 174.9075 87 V 3.9520 8.4370 126.5677 61.4249 32.3652 173.6044 88 Y 4.8222 8.2494 129.8519 56.2488 40.2867 174.2990 89 F 4.6984 9.2830 126.7362 57.2102 39.2065 175.4135 90 T 4.3586 8.5046 116.2395 61.7893 69.9646 174.9423 91 G 4.3834 7.8617 108.6319 45.2198 0.0000 172.0068 92 I 5.3358 8.3100 122.3114 59.4311 40.8967 174.2201 93 D 4.6510 9.1649 124.9243 52.4561 45.4105 174.6841 94 G 4.1174 8.6046 108.2789 46.3319 0.0000 172.8906 95 A 4.4479 7.8100 119.4971 51.0339 19.7227 178.1862 96 K 4.3891 8.8796 123.7852 54.4705 36.0671 174.7270 97 F 4.9471 8.8079 124.9424 56.1974 40.5205 174.1410 98 R 4.4225 9.6864 125.0738 56.8310 30.3027 175.4112 99 N 5.1911 7.7670 116.8410 50.3574 42.2015 172.8291 100 P 4.5715 0.0000 0.0000 62.8507 32.5950 175.7469 101 V 4.6202 8.5008 121.9642 61.4106 33.9293 174.6426 102 R 5.0209 9.4618 126.0218 53.2600 34.4029 173.2436 103 P 4.0809 0.0000 0.0000 64.7141 31.6250 176.7796 104 G 4.0087 8.9437 111.3096 45.1888 0.0000 173.6226 105 D 4.5451 8.0864 120.3728 54.0127 42.2728 175.5895 106 R 4.4681 8.4121 123.3821 55.2461 31.1170 175.5637 107 L 4.3694 8.8374 130.7062 54.1218 42.9943 174.9163 108 D 4.8753 9.2511 128.2413 53.8393 42.2174 175.3738 109 Y 5.2949 9.1900 122.0130 56.8681 40.3238 174.7390 110 E 5.2523 9.2747 121.8479 54.8626 34.9719 174.4578 *112 S 4.7595 8.3659 115.0437 58.6260 64.7971 173.6574 113 V 3.9763 8.7028 124.0724 62.8963 31.0418 175.9938 114 V 4.1000 8.7997 122.1675 62.6600 32.8747 176.8629 115 K 4.5274 7.4875 117.6631 54.5049 36.7767 175.3049 116 N 4.2691 8.2194 120.8667 51.9155 41.5587 174.1280 117 R 4.3636 8.2787 124.8990 54.6593 33.7288 177.4715 118 G 3.8605 8.6393 115.0393 46.7474 0.0000 174.6885 119 N 4.6238 8.9178 116.5911 50.7993 36.2497 174.0389 *121 W 4.5580 7.4710 121.9221 57.2480 31.8257 175.0571 122 I 5.0422 8.2201 124.0058 59.5733 39.8518 174.4726 123 F 5.3748 9.5759 125.9191 55.5522 42.1481 174.3728 124 K 4.6607 9.2240 124.9430 55.3551 33.1176 175.9621 125 G 4.4164 9.2687 114.8630 44.6370 0.0000 171.7963 126 Q 5.1268 9.3248 121.1482 53.8622 33.6947 173.8390 127 A 5.3178 8.9496 124.2329 50.2219 22.4201 175.1797 128 F 5.3163 9.3996 119.2104 55.6709 43.7172 174.6790 129 V 4.6253 8.4245 120.4871 61.4657 34.3967 175.1425 130 D 4.1170 9.8897 128.9370 55.5404 38.3270 174.9214 131 G 3.8220 8.5494 103.9221 45.7758 0.0000 173.4058 132 N 4.8862 8.0027 118.2837 50.7915 39.6719 174.3989 133 L 3.8855 8.6931 125.6647 55.6645 42.5855 176.5074 134 V 4.4656 8.7234 118.5307 62.0123 34.8395 175.3347 135 A 5.1358 7.5835 119.8125 51.0603 22.7084 174.8853 136 E 5.0543 8.2564 115.8314 55.6573 33.4051 173.8508 137 A 4.8242 8.3568 121.0748 52.3499 23.7836 174.5216 138 E 5.0217 8.9405 121.0745 54.7638 31.6353 174.5627 139 L 5.2868 9.0915 127.2392 52.9377 44.8446 175.1547 140 K 5.0801 9.5295 125.4338 55.0604 34.1584 174.9063 141 A 5.0829 8.6824 129.6561 48.9034 22.4568 174.4642 *143 I 3.9109 8.2478 116.4342 61.3402 38.5378 175.4774 144 V 4.5297 8.1448 128.6371 60.3879 35.7292 175.3911 145 D 4.5209 8.5370 121.5268 54.6375 40.6816 176.6526 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 I 7.87 4.40 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.96 0.00 0.00 3 D 8.29 4.85 0.00 2.85 2.84 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 0.00 0.00 0.00 4 V 8.98 3.52 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 0.73 0.00 0.00 0.91 0.00 0.00 *6 Q 8.14 4.23 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 7 I 8.13 3.66 2.05 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 1.27 0.83 0.86 0.00 0.00 8 Q 8.30 4.04 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 9 E 7.76 4.14 0.00 1.81 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 0.00 2.29 2.29 0.00 10 I 6.99 4.10 1.87 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 1.21 0.81 0.69 0.00 0.00 11 L 7.84 4.10 0.00 1.54 1.53 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.52 0.00 2.16 2.12 0.00 3.95 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 1.99 0.00 13 H 8.36 4.20 0.00 3.12 3.52 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.21 4.79 0.00 1.82 1.85 0.00 3.34 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 15 Y 8.65 4.44 0.00 2.92 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 16 P 0.00 4.23 0.00 1.77 0.75 0.00 3.59 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 17 F 8.59 4.50 0.00 2.83 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 18 L 8.12 4.44 0.00 1.59 1.65 0.91 1.01 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 19 L 8.36 4.66 0.00 1.54 1.66 0.59 0.58 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 20 V 7.51 4.50 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 0.87 0.00 0.00 0.72 0.00 0.00 21 D 8.77 4.59 0.00 2.30 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 22 K 7.24 4.44 0.00 1.59 0.94 0.00 1.99 0.00 0.00 1.96 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.64 7.81 23 I 8.72 4.80 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 1.01 0.00 0.00 24 T 9.10 4.40 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 1.37 0.00 0.00 25 E 7.96 4.75 0.00 2.06 1.81 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 2.32 2.35 0.00 26 L 8.53 4.85 0.00 1.69 1.56 0.99 0.65 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 27 K 9.04 4.61 0.00 1.78 1.75 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.43 7.81 28 V 8.56 3.82 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 0.90 0.00 0.00 0.99 0.00 0.00 29 K 9.26 4.39 0.00 1.98 1.91 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.59 7.81 30 E 7.44 4.55 0.00 2.12 1.97 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 2.23 2.30 0.00 31 V 8.31 5.12 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 0.66 0.00 0.00 1.03 0.00 0.00 32 V 8.42 4.99 2.19 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 0.85 0.00 0.00 1.04 0.00 0.00 33 L 9.44 5.10 0.00 1.63 1.66 0.95 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 34 G 8.91 4.68 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 0.00 0.00 0.00 35 Y 8.93 5.27 0.00 3.02 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 36 K 8.72 4.89 0.00 1.94 1.53 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.71 7.81 37 N 10.24 4.92 0.00 2.73 2.77 0.00 0.00 6.94 7.33 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 38 I 8.43 4.48 1.89 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 1.06 0.00 0.00 39 S 8.55 4.95 0.00 3.86 3.68 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 40 I 8.41 3.93 1.86 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 1.40 0.49 0.77 0.00 0.00 41 S 7.86 4.41 0.00 4.09 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 42 D 8.31 4.78 0.00 3.07 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 43 H 9.27 4.25 0.00 3.35 3.51 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.63 3.35 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 0.42 0.00 0.00 0.66 0.00 0.00 45 F 7.58 4.46 0.00 3.13 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 *47 G 7.72 3.89 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 0.00 48 H 8.09 3.99 0.00 2.69 2.80 0.00 5.57 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.73 4.91 0.00 3.39 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 50 P 0.00 4.28 0.00 2.11 2.11 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 51 G 9.69 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 52 H 8.30 4.96 0.00 3.03 3.28 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.95 0.00 1.64 2.05 0.00 3.77 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 1.83 1.89 0.00 54 I 8.28 4.92 2.07 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 1.23 0.64 1.05 0.00 0.00 55 Y 9.50 4.03 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.01 0.00 1.69 1.44 0.00 2.50 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.00 57 G 8.77 3.53 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 0.00 0.00 0.00 58 V 7.48 3.80 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 0.95 0.00 0.00 0.80 0.00 0.00 59 L 7.67 3.96 0.00 1.06 1.40 0.32 0.49 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 60 I 7.56 4.02 2.22 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.96 1.10 0.00 0.00 61 L 8.07 4.12 0.00 1.82 1.73 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.17 4.09 0.00 2.10 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 1.91 2.26 0.00 63 G 8.22 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 0.00 0.00 0.00 0.00 *65 A 7.98 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.88 3.93 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.13 2.52 0.00 67 T 7.55 3.85 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 1.23 0.00 0.00 68 G 7.88 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 0.00 0.00 0.00 69 G 8.06 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 70 V 7.69 3.67 2.23 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 1.10 0.00 0.00 0.95 0.00 0.00 71 L 7.60 3.99 0.00 1.82 2.01 1.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.22 3.35 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 73 F 8.24 3.99 0.00 3.17 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 74 E 8.38 4.34 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 2.40 2.54 0.00 75 S 7.44 4.55 0.00 3.95 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 *77 E 7.91 4.21 0.00 2.01 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 2.24 2.32 0.00 *83 K 7.59 4.29 0.00 1.80 0.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.46 7.81 84 S 8.91 4.66 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 85 K 8.45 4.93 0.00 1.54 1.68 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.43 7.81 86 V 9.33 4.50 1.97 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 0.87 0.00 0.00 0.94 0.00 0.00 87 V 8.44 3.95 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 0.61 0.00 0.00 0.02 0.00 0.00 88 Y 8.25 4.82 0.00 2.99 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 89 F 9.28 4.70 0.00 3.15 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 90 T 8.50 4.36 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 0.80 0.00 0.00 91 G 7.86 4.38 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 0.00 92 I 8.31 5.34 1.91 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 1.26 0.77 0.92 0.00 0.00 93 D 9.16 4.65 0.00 2.75 2.45 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 94 G 8.60 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 95 A 7.81 4.45 1.09 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 0.00 0.00 96 K 8.88 4.39 0.00 1.63 1.47 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.37 7.81 97 F 8.81 4.95 0.00 2.96 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 98 R 9.69 4.42 0.00 1.76 1.96 0.00 3.26 0.00 0.00 3.28 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 99 N 7.77 5.19 0.00 2.74 2.71 0.00 0.00 6.91 8.02 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 0.00 100 P 0.00 4.57 0.00 2.00 2.06 0.00 3.69 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 2.08 2.15 0.00 101 V 8.50 4.62 2.31 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 1.00 0.00 0.00 1.04 0.00 0.00 102 R 9.46 5.02 0.00 1.69 1.70 0.00 3.21 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 103 P 0.00 4.08 0.00 1.81 1.78 0.00 3.37 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.88 0.00 104 G 8.94 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 0.00 0.00 0.00 105 D 8.09 4.55 0.00 2.71 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 0.00 106 R 8.41 4.47 0.00 1.75 1.75 0.00 2.32 0.00 0.00 2.89 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.90 0.00 107 L 8.84 4.37 0.00 1.57 1.44 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.25 4.88 0.00 2.85 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 0.00 109 Y 9.19 5.29 0.00 3.11 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 0.00 110 E 9.27 5.25 0.00 2.12 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 2.35 2.49 0.00 *112 S 8.37 4.76 0.00 3.91 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 0.00 113 V 8.70 3.98 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 0.16 0.00 0.00 1.05 0.00 0.00 114 V 8.80 4.10 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 0.72 0.00 0.00 0.92 0.00 0.00 115 K 7.49 4.53 0.00 1.49 1.45 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81 116 N 8.22 4.27 0.00 1.44 2.04 0.00 0.00 6.80 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 0.00 117 R 8.28 4.36 0.00 1.72 1.78 0.00 3.50 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 118 G 8.64 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 0.00 119 N 8.92 4.62 0.00 3.04 2.88 0.00 0.00 5.89 8.88 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 *121 W 7.47 4.56 0.00 3.20 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 0.00 122 I 8.22 5.04 1.77 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.91 0.93 0.00 0.00 123 F 9.58 5.37 0.00 3.14 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 0.00 124 K 9.22 4.66 0.00 1.78 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.44 7.81 125 G 9.27 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 0.00 126 Q 9.32 5.13 0.00 2.04 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 127 A 8.95 5.32 1.21 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 0.00 128 F 9.40 5.32 0.00 2.94 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 0.00 129 V 8.42 4.63 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 1.09 0.00 0.00 0.93 0.00 0.00 130 D 9.89 4.12 0.00 2.83 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 0.00 131 G 8.55 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 0.00 132 N 8.00 4.89 0.00 3.05 2.80 0.00 0.00 6.63 6.90 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 0.00 133 L 8.69 3.89 0.00 1.43 1.52 0.50 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.72 4.47 2.26 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 0.85 0.00 0.00 0.94 0.00 0.00 135 A 7.58 5.14 1.21 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 0.00 136 E 8.26 5.05 0.00 2.06 1.88 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 2.06 2.18 0.00 137 A 8.36 4.82 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 0.00 138 E 8.94 5.02 0.00 2.15 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 0.00 2.27 2.30 0.00 139 L 9.09 5.29 0.00 2.01 1.99 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 140 K 9.53 5.08 0.00 1.84 1.94 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.55 7.81 141 A 8.68 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 I 8.25 3.91 1.51 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.66 0.00 0.00 144 V 8.14 4.53 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 0.97 0.00 0.00 145 D 8.54 4.52 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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.