NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7814 8.2127 109.7339 45.5316 0.0000 175.6144 *2 Q 4.2031 7.7808 120.9717 55.5638 30.6859 176.8846 3 T 3.8253 7.4729 106.7948 64.2999 68.6189 175.0199 4 K 4.1659 7.8410 118.8693 56.6830 32.5296 176.9769 5 V 3.6083 7.6649 120.7207 62.5931 31.8377 174.9894 6 I 4.1705 8.0382 127.8892 59.6097 38.7250 174.8112 7 N 4.5228 8.2491 123.5537 51.6051 40.4848 175.0101 8 F 4.3587 8.0980 127.1581 60.8351 39.2034 176.9557 9 N 4.5153 8.4819 116.0751 56.9798 38.5655 176.4014 10 D 4.4062 8.2133 119.0676 57.3617 41.2816 178.6986 11 K 4.1935 8.1295 118.9975 59.5398 31.9352 179.4844 12 F 4.0775 8.5281 118.6631 60.3906 38.5730 177.6420 13 S 4.2998 8.0690 112.6216 60.5850 63.0040 175.4031 14 L 4.2842 7.6921 121.4995 56.5419 41.7191 176.7996 15 F 5.0720 7.3554 111.0246 55.5619 40.6861 173.9227 16 N 4.8394 8.6776 117.7766 53.0415 40.3950 175.0354 17 Q 4.1372 8.3015 120.0255 56.4072 29.5624 175.3088 18 H 4.8872 8.8341 121.7623 55.5331 30.0343 174.7356 19 W 3.9656 8.3870 118.8858 58.0699 27.0720 175.5514 20 S 4.6846 7.4283 114.7083 55.6228 63.4293 171.5174 21 P 4.5128 0.0000 0.0000 62.4785 32.2509 175.5958 22 R 4.3673 8.7212 123.5480 54.0139 32.3818 175.5677 23 V 4.2018 8.4549 125.2073 63.2382 31.3707 175.3711 24 I 4.3976 8.7708 122.0448 61.7495 39.1411 175.2951 25 A 4.6218 7.6831 122.5680 51.3339 22.6248 174.6172 26 E 5.7879 8.2422 117.4689 52.6329 33.8430 176.5365 *28 N 4.8724 8.6531 117.8101 54.0436 39.5683 174.9441 29 D 4.8643 8.9656 126.6674 54.5399 39.6598 174.8288 30 Y 4.9632 7.9814 116.5459 57.0271 41.3773 174.5147 31 Q 5.0729 8.8514 119.6482 54.3121 33.0477 174.3764 32 F 4.9641 9.2875 121.5768 55.8682 41.1419 175.0001 33 K 5.0734 9.0533 123.2364 54.5932 35.5100 175.6965 34 L 4.8797 8.8224 124.6630 53.4723 43.9003 175.8335 35 V 4.8846 9.1220 121.8541 61.3100 35.7636 173.7148 36 K 4.9303 8.9385 125.4724 54.8425 34.3944 175.5941 37 V 3.4576 8.1739 117.7132 59.2315 35.6164 174.3319 38 E 4.5825 7.9957 122.7709 56.5518 32.4429 176.4407 39 G 3.9769 9.2561 114.5823 45.0270 0.0000 172.1528 40 E 4.7978 8.5634 118.2880 54.6983 32.3998 176.3584 41 F 4.0916 8.1158 127.2691 57.9559 39.4338 175.0810 42 V 4.3115 6.7082 111.6869 58.6884 35.5198 175.5541 43 W 4.5888 8.5908 122.9123 57.2009 29.6102 175.3312 44 H 4.9878 8.8194 119.0380 54.9698 31.9975 171.8431 45 E 5.0120 8.5565 115.3291 55.2765 33.7398 174.0573 46 H 5.0775 8.7239 116.4553 53.8379 30.4090 174.5814 47 A 3.9976 8.9198 127.4433 54.4551 18.4702 177.7999 48 D 4.9248 8.0014 112.1544 54.3367 41.9801 175.6593 49 T 4.7607 7.3580 113.4959 60.4932 70.8748 172.7770 50 D 4.9472 8.7638 126.9392 54.5442 42.1685 175.2261 51 E 4.6184 9.0165 120.7983 54.6542 33.3644 174.1117 52 V 4.8274 8.3903 126.7242 61.4377 33.7355 174.2090 53 F 5.0821 9.1267 126.2351 55.7130 41.4112 174.8733 54 I 4.7378 8.3225 123.3623 59.5900 40.5009 175.5380 55 V 3.9861 8.5432 127.2702 61.8880 33.7465 174.0591 *57 E 4.0968 8.5061 123.0763 57.4457 30.5687 176.3624 58 G 3.5143 8.7835 112.4766 44.3628 0.0000 170.9638 59 T 4.9372 8.0866 114.4422 61.5888 71.5213 173.4059 60 L 4.7351 8.9968 128.3873 53.2826 44.7386 174.8795 61 Q 5.0489 8.5124 123.5628 54.1487 32.3073 174.4335 62 I 4.5668 8.2638 122.7285 59.2908 40.4511 174.5420 63 A 4.8156 8.2940 129.7396 50.6100 19.8069 176.1988 64 F 5.3847 9.2717 120.0506 55.4147 42.5318 177.0708 65 R 3.5858 9.1826 118.8354 58.3848 29.9550 177.5127 66 D 4.8625 7.8552 114.9408 53.2310 41.3188 175.1379 67 Q 4.6141 7.4538 116.5357 55.7877 31.3469 171.9814 68 N 5.7649 8.4048 114.3092 51.4539 42.8461 173.8155 69 I 4.6891 8.5665 114.1686 59.4337 41.4436 174.2380 70 T 5.0776 8.3702 118.6998 61.7809 71.6649 173.2570 71 L 4.9296 9.3096 126.0795 53.1729 44.6213 176.3138 72 Q 4.8099 9.3372 122.5749 53.5750 31.9443 174.8585 73 A 4.0668 7.7225 123.2011 54.1471 18.6094 177.9237 74 G 3.8873 8.9006 109.9638 46.1227 0.0000 172.6573 75 E 4.6383 7.6237 118.3990 54.1908 33.7925 173.6362 *77 Y 4.6051 7.9909 119.1097 57.8048 40.3509 173.7058 78 V 4.6900 7.4162 125.3572 61.3445 33.2248 175.0848 79 I 4.4690 9.4113 130.7934 60.0745 37.9235 174.0846 80 P 5.0241 0.0000 0.0000 61.7572 32.5857 176.4902 81 K 4.2777 8.1195 121.7778 57.9916 32.7138 177.7025 82 G 3.9643 8.9729 109.6895 44.6090 0.0000 173.2310 83 V 4.2636 7.4554 120.2560 61.3955 32.1712 175.6745 84 E 4.7101 9.0120 128.4268 57.1875 30.2438 175.9482 85 H 4.9221 9.0949 117.9109 54.6199 32.7384 172.8178 86 K 4.2325 8.1320 120.4830 54.0033 34.3213 173.8670 87 P 5.0341 0.0000 0.0000 61.4691 33.5181 175.0479 *89 A 4.2945 8.2987 121.0644 52.0013 19.2742 178.1589 90 K 3.9698 8.9803 122.6172 58.6684 32.4451 176.6842 91 E 4.7285 7.6024 115.1742 53.4096 33.0380 174.7490 92 E 4.0744 8.5988 120.6638 57.2889 30.0926 175.5647 93 C 4.8279 8.9367 126.3040 57.4776 35.2293 172.4368 94 K 4.6545 8.7454 126.2237 54.8770 32.7079 175.3040 95 I 5.1399 8.4821 122.3368 58.8551 41.2920 174.0728 *97 I 4.5824 8.1538 119.8229 61.6266 39.0987 174.8017 98 I 4.9538 7.7526 125.6369 58.4393 40.5810 174.2187 99 E 4.9850 8.2579 122.4451 54.7466 32.3687 173.1496 100 P 3.8035 0.0000 0.0000 61.9911 32.2422 176.7903 101 R 3.9448 8.5063 121.5993 56.7236 29.9330 176.3394 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 0 G 8.21 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 *2 Q 7.78 4.20 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 3 T 7.47 3.83 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 1.22 0.00 0.00 4 K 7.84 4.17 0.00 1.71 1.84 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 V 7.66 3.61 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 0.65 0.00 0.00 0.87 0.00 0.00 6 I 8.04 4.17 1.62 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 1.34 0.51 0.76 0.00 0.00 7 N 8.25 4.52 0.00 2.63 2.71 0.00 0.00 7.20 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 8 F 8.10 4.36 0.00 3.27 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 9 N 8.48 4.52 0.00 2.94 3.04 0.00 0.00 7.18 8.49 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 10 D 8.21 4.41 0.00 2.84 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 11 K 8.13 4.19 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.61 7.81 12 F 8.53 4.08 0.00 3.17 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 13 S 8.07 4.30 0.00 4.04 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 14 L 7.69 4.28 0.00 2.04 1.91 0.98 0.80 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 15 F 7.36 5.07 0.00 3.19 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 16 N 8.68 4.84 0.00 2.73 2.86 0.00 0.00 6.91 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 17 Q 8.30 4.14 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 18 H 8.83 4.89 0.00 3.33 2.92 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.39 3.97 0.00 3.47 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 20 S 7.43 4.68 0.00 3.81 3.75 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 21 P 0.00 4.51 0.00 1.88 1.93 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 22 R 8.72 4.37 0.00 1.33 1.60 0.00 3.04 0.00 0.00 2.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.50 0.00 23 V 8.45 4.20 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 0.91 0.00 0.00 24 I 8.77 4.40 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.90 0.00 0.00 25 A 7.68 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.24 5.79 0.00 1.86 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 0.00 2.27 2.19 0.00 *28 N 8.65 4.87 0.00 2.87 2.21 0.00 0.00 6.77 8.06 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 29 D 8.97 4.86 0.00 2.79 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 30 Y 7.98 4.96 0.00 2.94 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 31 Q 8.85 5.07 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 32 F 9.29 4.96 0.00 3.02 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 33 K 9.05 5.07 0.00 1.58 1.60 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.37 7.81 34 L 8.82 4.88 0.00 1.49 1.21 0.19 0.35 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 35 V 9.12 4.88 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 1.07 0.00 0.00 0.91 0.00 0.00 36 K 8.94 4.93 0.00 1.87 1.57 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.57 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.30 1.54 7.81 37 V 8.17 3.46 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 0.00 0.00 -0.16 0.00 0.00 0.63 0.00 0.00 38 E 8.00 4.58 0.00 1.82 1.83 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 2.26 2.31 0.00 39 G 9.26 3.98 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 0.00 0.00 0.00 40 E 8.56 4.80 0.00 1.90 1.76 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 2.22 2.28 0.00 41 F 8.12 4.09 0.00 2.46 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 42 V 6.71 4.31 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 0.39 0.00 0.00 0.05 0.00 0.00 43 W 8.59 4.59 0.00 3.14 3.27 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 44 H 8.82 4.99 0.00 3.18 3.33 0.00 5.22 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.56 5.01 0.00 2.09 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 0.00 2.29 2.37 0.00 46 H 8.72 5.08 0.00 3.30 3.32 0.00 5.62 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 47 A 8.92 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.00 4.92 0.00 2.67 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 49 T 7.36 4.76 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 1.19 0.00 0.00 50 D 8.76 4.95 0.00 2.65 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 51 E 9.02 4.62 0.00 2.02 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 1.96 2.18 0.00 52 V 8.39 4.83 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 0.91 0.00 0.00 0.91 0.00 0.00 53 F 9.13 5.08 0.00 2.99 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 54 I 8.32 4.74 1.86 0.00 0.00 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 1.27 0.88 0.90 0.00 0.00 55 V 8.54 3.99 2.30 0.00 0.00 0.00 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 0.96 0.00 0.00 *57 E 8.51 4.10 0.00 1.94 1.58 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 2.15 2.24 0.00 58 G 8.78 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.94 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 1.18 0.00 0.00 60 L 9.00 4.74 0.00 1.66 1.42 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.51 5.05 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 62 I 8.26 4.57 1.49 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.63 0.15 0.00 0.00 63 A 8.29 4.82 0.93 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 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.27 5.38 0.00 3.26 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 65 R 9.18 3.59 0.00 1.79 1.87 0.00 2.71 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.00 66 D 7.86 4.86 0.00 2.77 2.78 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 67 Q 7.45 4.61 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 68 N 8.40 5.76 0.00 2.73 2.71 0.00 0.00 6.32 7.32 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 69 I 8.57 4.69 1.74 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.79 0.00 0.00 70 T 8.37 5.08 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 1.19 0.00 0.00 71 L 9.31 4.93 0.00 1.54 1.55 0.84 1.16 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 72 Q 9.34 4.81 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 73 A 7.72 4.07 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 74 G 8.90 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 75 E 7.62 4.64 0.00 2.13 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 2.24 2.31 0.00 *77 Y 7.99 4.61 0.00 3.21 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 78 V 7.42 4.69 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 0.83 0.00 0.00 0.85 0.00 0.00 79 I 9.41 4.47 2.06 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.01 1.04 0.00 0.00 80 P 0.00 5.02 0.00 2.11 1.98 0.00 3.73 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 81 K 8.12 4.28 0.00 2.20 1.96 0.00 1.86 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.41 7.81 82 G 8.97 3.96 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 0.00 0.00 0.00 83 V 7.46 4.26 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 1.07 0.00 0.00 1.05 0.00 0.00 84 E 9.01 4.71 0.00 2.03 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 0.00 2.42 2.38 0.00 85 H 9.09 4.92 0.00 2.64 3.15 0.00 5.21 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.13 4.23 0.00 0.79 0.74 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.86 0.96 7.81 87 P 0.00 5.03 0.00 2.30 1.86 0.00 4.16 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 2.26 1.78 0.00 *89 A 8.30 4.29 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 90 K 8.98 3.97 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.57 7.81 91 E 7.60 4.73 0.00 1.86 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 0.00 2.17 2.17 0.00 92 E 8.60 4.07 0.00 2.07 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 0.00 2.13 2.12 0.00 93 C 8.94 4.83 0.00 2.85 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 94 K 8.75 4.65 0.00 1.07 0.74 0.00 1.26 0.00 0.00 0.62 0.00 0.00 2.52 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.68 0.93 7.81 95 I 8.48 5.14 1.99 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 1.39 1.84 0.93 0.00 0.00 *97 I 8.15 4.58 1.66 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.50 0.62 0.00 0.00 98 I 7.75 4.95 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 1.79 0.16 0.00 0.00 99 E 8.26 4.99 0.00 1.86 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 2.14 0.00 100 P 0.00 3.80 0.00 1.65 1.46 0.00 3.47 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.22 0.00 101 R 8.51 3.94 0.00 1.66 1.74 0.00 3.43 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.