NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5837 8.3016 107.8460 45.7127 0.0000 173.3201 4 L 4.0591 8.4685 124.8427 54.2402 43.2350 170.3164 5 V 4.8069 8.7959 127.0599 60.9806 34.8648 173.8093 6 A 4.8592 8.9724 129.2952 50.1694 22.1963 175.0392 7 S 5.1825 8.5611 116.0710 57.5686 66.5415 175.1864 8 N 4.4881 8.9627 115.9989 53.4291 37.9055 174.5812 9 L 3.9414 7.5782 118.1267 56.2395 41.1109 176.1914 10 N 5.3062 8.5604 123.4712 51.6254 37.3188 173.3780 11 L 4.4902 9.1734 127.2935 54.7987 43.1745 176.0721 12 K 5.0076 9.5236 123.9245 53.6888 34.9615 174.2838 13 P 3.1282 0.0000 0.0000 64.3057 31.6121 175.7626 14 G 3.9941 8.5561 110.9957 45.3956 0.0000 173.9940 15 E 4.2908 8.1433 118.6915 56.3351 31.2562 175.5485 16 C 5.1298 9.0368 122.7652 57.5671 34.3270 172.1576 17 L 4.7719 8.6934 128.8280 53.3152 43.1420 175.0961 18 K 4.6608 8.5448 128.2603 54.6059 34.5656 174.8057 19 V 4.6648 8.7384 127.2997 61.0077 34.4514 174.0356 20 R 5.1354 8.3428 127.0761 54.8761 33.5911 174.1821 21 G 3.7016 9.0198 111.9114 45.5868 0.0000 171.1243 22 E 5.1672 8.1857 117.8419 54.1372 32.2057 175.7160 23 L 4.7746 9.1046 124.3090 54.1655 43.0851 176.6861 24 A 4.2708 8.4568 124.7335 51.4627 19.0937 176.9974 25 P 4.4155 0.0000 0.0000 64.7742 31.6083 176.8627 26 D 4.7902 7.6093 117.0085 51.8131 39.7547 175.7469 27 A 3.9293 7.9209 121.9890 54.2524 18.6431 178.1350 28 K 4.3842 9.7230 123.1094 57.5274 33.4248 177.1935 29 S 5.3526 7.5699 111.5921 58.0495 64.1759 175.3141 30 F 5.5170 7.6105 116.0583 55.5426 41.8048 173.2801 31 V 4.5886 9.7457 119.2607 61.1701 35.5829 174.0336 32 L 5.1202 8.6159 126.1591 53.7197 45.3706 174.5206 33 N 5.6537 9.5107 124.3338 51.5148 41.7752 173.7881 34 L 5.2415 9.4693 122.3773 51.9966 45.7308 176.7269 35 G 4.2457 7.9768 109.6418 46.9645 0.0000 174.7160 36 K 4.1495 8.7619 120.3934 57.9666 33.3726 175.7487 37 D 3.8746 7.3096 116.0144 51.7166 41.7576 175.8188 38 S 3.8656 7.7160 113.4776 60.8746 62.6630 174.8862 39 N 4.6182 8.2024 116.4756 53.1763 39.0566 173.8784 40 N 5.7544 7.9475 116.2105 49.9929 40.0957 171.3207 41 L 5.1451 7.9279 121.5698 53.1589 43.5655 176.7697 42 C 4.4024 9.0247 119.3090 59.9669 30.8838 173.7656 43 L 4.5476 7.7820 121.8610 53.9031 45.5757 173.7552 44 H 5.1845 9.1687 126.3026 54.5537 32.2387 172.0640 45 F 4.3128 9.2152 130.3790 56.9640 39.6746 172.9472 46 N 4.5995 8.4529 126.1315 49.5895 38.8345 169.8748 47 P 4.4290 0.0000 0.0000 61.8184 33.5841 175.7551 48 R 4.6237 8.9854 123.5058 54.4581 31.7171 176.7341 49 F 3.9177 9.2788 124.2142 60.3349 40.2817 174.5684 50 N 5.0068 8.4094 113.2494 53.6261 41.3026 173.5445 51 A 4.2528 9.1093 126.2461 52.7591 22.6189 176.2718 52 H 3.8241 9.8532 116.5609 56.6651 26.3037 176.0189 53 G 3.9688 8.5809 106.2623 45.1670 0.0000 173.2442 54 D 4.9029 8.0208 119.2642 52.0370 43.4929 175.0389 55 A 4.8765 8.0236 124.6754 51.6558 22.1281 175.6522 56 N 2.0000 7.9476 118.1653 53.5040 37.0018 174.5371 57 T 4.6039 7.0724 110.5270 60.4215 71.8225 172.8123 58 I 4.3555 8.2998 128.6152 60.0215 39.2100 174.6601 59 V 4.4273 8.1311 127.0822 61.2690 33.7095 174.2520 60 C 5.6200 8.3480 125.0055 57.6972 31.7171 172.1730 61 N 5.1009 7.5326 118.0137 53.6263 42.2769 172.6739 62 S 5.3849 8.6770 114.3007 56.3890 67.3901 172.6891 63 K 4.9329 9.1469 121.9235 54.6401 35.3329 174.1391 64 D 4.8540 8.9224 127.2199 52.5164 43.4652 175.3895 65 D 4.2948 10.2259 127.8375 55.1009 40.2702 174.3081 66 G 3.8106 8.3751 107.2258 44.7362 0.0000 174.1157 67 T 4.3466 7.4970 110.6304 59.3539 70.3618 174.4479 68 W 4.7289 8.5144 125.1125 57.2328 29.9763 176.4573 69 G 4.4235 8.7109 110.1733 45.6951 0.0000 172.8472 70 T 4.4374 8.5307 117.4916 63.3225 69.3765 174.7279 71 E 4.5103 8.7926 125.6805 56.2067 30.7733 175.8054 72 Q 4.6327 8.9804 124.8533 54.4379 31.7947 174.0975 73 R 5.0023 8.6660 125.1169 54.4881 32.8892 175.2318 74 E 4.4377 8.5636 122.3442 54.6980 31.7128 177.3979 75 T 3.7605 8.6305 118.7403 64.5544 67.8951 174.9155 76 A 4.1352 7.7267 123.5361 52.8113 18.9310 177.8592 77 F 4.7367 8.2139 123.5499 56.9196 40.7495 172.4511 78 P 4.4874 0.0000 0.0000 61.8872 31.1308 176.9477 79 F 5.1781 7.1169 114.9676 56.6025 42.9255 175.2471 80 Q 4.9238 8.7715 121.0625 53.5307 32.5083 173.6201 81 P 4.2098 0.0000 0.0000 63.2580 31.9701 175.6947 82 G 4.2420 8.8336 107.0324 46.9732 0.0000 172.8899 83 S 4.8108 7.6946 111.3557 56.6134 67.5357 172.2108 84 I 5.0813 8.3273 120.1956 59.9910 39.2397 175.3781 85 T 4.9757 8.9746 115.7023 60.8698 72.7938 171.8882 86 E 5.1830 8.6313 117.4159 55.8134 32.6169 174.8358 87 V 4.4378 8.5338 120.6817 61.4990 35.5975 173.3054 *89 I 4.2984 8.1724 118.4271 61.8892 38.6097 175.1936 90 T 5.4352 8.3076 122.0036 62.0967 72.9778 172.4669 91 F 5.4727 8.1378 116.0227 56.8847 41.0371 172.6396 92 D 4.3696 8.8362 117.1004 52.2769 42.2820 176.5380 93 Q 4.3230 9.1626 118.0458 58.6193 28.2761 178.6296 94 A 3.8139 7.5140 119.1044 54.7606 18.4391 177.8136 95 D 5.1777 7.9354 111.3468 52.3120 43.9990 174.1029 96 L 4.8196 9.1990 118.7162 54.0357 44.3932 176.6536 97 T 4.6408 8.7860 118.2970 61.9045 71.3573 173.1839 98 I 4.0593 7.7993 128.4696 60.1831 38.6110 175.1525 99 K 4.4077 8.2550 128.2606 54.4016 33.7291 175.7182 100 L 4.3350 8.4338 128.0447 53.4970 42.3119 176.8364 101 P 4.2773 0.0000 0.0000 65.5832 31.2211 176.7573 102 D 4.5125 7.7402 116.8891 53.3882 39.4570 176.4068 103 G 4.3564 7.9081 115.2621 46.6184 0.0000 174.5582 104 H 4.5834 7.5098 117.1831 54.4002 29.4744 174.1460 105 E 5.0916 8.5316 118.0891 54.4885 32.7597 174.2890 106 F 5.1933 8.0359 114.2322 55.3048 42.0067 173.3401 107 K 5.2203 8.9440 117.4840 54.6748 35.4090 175.7445 108 F 4.9981 8.9759 124.5641 55.5446 42.5399 172.2200 109 P 4.4160 0.0000 0.0000 62.5346 31.6137 176.9869 110 N 4.7746 8.3725 122.9425 52.1818 37.5459 175.2099 111 R 3.9225 8.0437 121.8558 59.6331 30.6675 178.7462 112 L 4.1012 7.9924 113.7288 55.2756 41.7508 176.2229 113 N 4.2452 8.1658 117.1734 54.4198 37.9313 173.6432 114 M 4.4967 8.1434 111.9168 54.3373 33.0072 175.1287 115 E 4.7688 8.2728 119.7281 55.4687 30.2207 175.0614 116 A 5.3067 7.4858 114.3493 51.6513 21.2834 176.8884 117 I 4.0258 7.8851 124.6072 61.9213 38.3326 176.5548 118 N 5.8802 9.5405 121.3392 51.4748 41.6994 173.3281 119 Y 5.2986 8.0112 119.5791 56.0607 42.6183 173.7040 120 M 5.5346 8.2467 123.0370 54.1127 36.5731 173.3973 121 A 4.9659 8.2498 125.1632 50.7013 23.0840 174.7167 122 A 5.2808 8.9319 124.2364 50.7100 22.0113 175.2083 123 D 4.7200 9.2835 119.3856 54.2652 45.6116 175.4615 124 G 4.0217 8.7851 107.2592 44.9803 0.0000 173.1059 125 D 4.8346 8.6242 116.2223 53.1368 39.2039 176.8396 126 F 5.0295 7.7744 119.3423 56.5358 43.0021 174.1688 127 K 4.2478 8.1662 128.2507 54.3253 33.6753 175.3510 128 I 3.8530 8.0116 129.0062 61.4539 37.3693 176.2616 129 K 4.2954 8.7483 124.4206 56.4088 33.8344 176.2990 *131 V 3.9617 7.6948 119.5490 62.6330 32.3381 174.2290 132 A 4.7585 8.7742 128.8785 50.2454 22.8638 174.6985 133 F 5.3223 8.9501 118.2114 55.0502 40.2894 175.1822 134 E 4.4014 8.8913 120.9493 56.1093 29.6656 176.1474 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 3 G 8.30 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 4 L 8.47 4.06 0.00 1.86 1.56 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.80 4.81 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 0.93 0.00 0.00 1.02 0.00 0.00 6 A 8.97 4.86 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 7 S 8.56 5.18 0.00 3.97 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 8 N 8.96 4.49 0.00 2.97 3.06 0.00 0.00 7.01 7.28 0.00 0.00 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 L 7.58 3.94 0.00 1.83 1.84 1.05 0.64 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 10 N 8.56 5.31 0.00 2.78 2.92 0.00 0.00 6.32 7.79 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 11 L 9.17 4.49 0.00 1.70 1.94 1.13 0.80 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 12 K 9.52 5.01 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.62 7.81 13 P 0.00 3.13 0.00 1.80 1.59 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 14 G 8.56 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 15 E 8.14 4.29 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 2.36 2.46 0.00 16 C 9.04 5.13 0.00 2.96 2.75 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 17 L 8.69 4.77 0.00 1.62 1.50 0.48 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.54 4.66 0.00 1.80 1.54 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 V 8.74 4.66 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 1.14 0.00 0.00 0.86 0.00 0.00 20 R 8.34 5.14 0.00 1.89 1.68 0.00 3.26 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 21 G 9.02 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 22 E 8.19 5.17 0.00 1.93 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 2.11 2.10 0.00 23 L 9.10 4.77 0.00 1.65 1.56 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.46 4.27 1.22 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 25 P 0.00 4.42 0.00 2.02 2.11 0.00 3.58 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 26 D 7.61 4.79 0.00 2.69 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 27 A 7.92 3.93 0.63 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 0.00 0.00 28 K 9.72 4.38 0.00 2.01 1.90 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 29 S 7.57 5.35 0.00 4.11 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 30 F 7.61 5.52 0.00 3.30 3.21 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 31 V 9.75 4.59 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 1.05 0.00 0.00 0.93 0.00 0.00 32 L 8.62 5.12 0.00 1.93 1.52 1.04 0.76 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 33 N 9.51 5.65 0.00 2.74 2.87 0.00 0.00 6.32 6.62 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 34 L 9.47 5.24 0.00 1.53 1.46 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.98 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 36 K 8.76 4.15 0.00 1.71 1.83 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 D 7.31 3.87 0.00 2.51 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 38 S 7.72 3.87 0.00 3.93 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 39 N 8.20 4.62 0.00 2.65 2.81 0.00 0.00 6.60 6.20 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 40 N 7.95 5.75 0.00 2.63 2.64 0.00 0.00 7.10 6.22 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 41 L 7.93 5.15 0.00 1.66 1.78 1.00 1.13 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 42 C 9.02 4.40 0.00 3.04 3.08 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 43 L 7.78 4.55 0.00 1.75 1.49 0.58 0.81 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 44 H 9.17 5.18 0.00 3.54 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.22 4.31 0.00 3.04 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 46 N 8.45 4.60 0.00 2.39 2.48 0.00 0.00 6.81 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 47 P 0.00 4.43 0.00 1.48 1.48 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 48 R 8.99 4.62 0.00 1.60 1.84 0.00 3.03 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 49 F 9.28 3.92 0.00 3.34 3.21 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 50 N 8.41 5.01 0.00 2.71 2.73 0.00 0.00 7.06 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 51 A 9.11 4.25 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 52 H 9.85 3.82 0.00 3.27 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.58 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 54 D 8.02 4.90 0.00 2.73 2.43 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 55 A 8.02 4.88 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 56 N 7.95 2.00 0.00 2.42 2.14 0.00 0.00 6.66 7.13 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 57 T 7.07 4.60 4.10 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 1.09 0.00 0.00 58 I 8.30 4.36 1.70 0.00 0.00 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 1.00 0.63 0.54 0.00 0.00 59 V 8.13 4.43 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 0.88 0.00 0.00 0.79 0.00 0.00 60 C 8.35 5.62 0.00 3.06 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 0.00 0.00 0.00 0.00 61 N 7.53 5.10 0.00 2.72 2.78 0.00 0.00 6.43 7.63 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 62 S 8.68 5.38 0.00 4.18 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.15 4.93 0.00 1.14 1.39 0.00 1.10 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.86 7.81 64 D 8.92 4.85 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 10.23 4.29 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 67 T 7.50 4.35 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 1.25 0.00 0.00 68 W 8.51 4.73 0.00 3.21 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 69 G 8.71 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 70 T 8.53 4.44 4.28 0.00 0.00 0.00 0.00 0.00 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 71 E 8.79 4.51 0.00 1.83 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 2.21 2.22 0.00 72 Q 8.98 4.63 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 73 R 8.67 5.00 0.00 1.64 1.72 0.00 3.14 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 74 E 8.56 4.44 0.00 1.39 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 1.62 1.47 0.00 75 T 8.63 3.76 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 76 A 7.73 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.21 4.74 0.00 2.97 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 78 P 0.00 4.49 0.00 1.86 2.02 0.00 3.25 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.79 0.00 79 F 7.12 5.18 0.00 2.14 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 80 Q 8.77 4.92 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 81 P 0.00 4.21 0.00 2.00 1.82 0.00 3.92 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.61 0.00 82 G 8.83 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 0.00 0.00 0.00 0.00 83 S 7.69 4.81 0.00 3.89 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 84 I 8.33 5.08 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.99 0.00 0.00 85 T 8.97 4.98 4.49 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 1.43 0.00 0.00 86 E 8.63 5.18 0.00 2.15 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 2.21 2.32 0.00 87 V 8.53 4.44 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 0.66 0.00 0.00 0.97 0.00 0.00 *89 I 8.17 4.30 1.78 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 1.08 0.21 0.86 0.00 0.00 90 T 8.31 5.44 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 1.25 0.00 0.00 91 F 8.14 5.47 0.00 3.21 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 92 D 8.84 4.37 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 9.16 4.32 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.91 0.00 94 A 7.51 3.81 1.38 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 95 D 7.94 5.18 0.00 3.11 2.85 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 96 L 9.20 4.82 0.00 1.77 1.78 1.20 0.82 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 97 T 8.79 4.64 4.21 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 1.16 0.00 0.00 98 I 7.80 4.06 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.14 0.49 0.00 0.00 99 K 8.26 4.41 0.00 1.64 1.62 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.46 7.81 100 L 8.43 4.33 0.00 2.02 1.44 1.13 0.99 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 0.00 101 P 0.00 4.28 0.00 2.15 2.36 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 102 D 7.74 4.51 0.00 2.69 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 0.00 103 G 7.91 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 0.00 0.00 0.00 0.00 104 H 7.51 4.58 0.00 3.59 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.53 5.09 0.00 2.08 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 2.18 2.26 0.00 106 F 8.04 5.19 0.00 3.22 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 0.00 107 K 8.94 5.22 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 108 F 8.98 5.00 0.00 3.28 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 0.00 109 P 0.00 4.42 0.00 1.95 1.92 0.00 3.02 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 1.28 1.67 0.00 110 N 8.37 4.77 0.00 2.98 3.12 0.00 0.00 6.93 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 0.00 111 R 8.04 3.92 0.00 1.89 2.03 0.00 3.32 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 112 L 7.99 4.10 0.00 1.66 1.74 1.02 1.12 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 0.00 113 N 8.17 4.25 0.00 2.79 2.86 0.00 0.00 7.11 7.19 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 0.00 114 M 8.14 4.50 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 115 E 8.27 4.77 0.00 2.12 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 0.00 2.32 2.40 0.00 116 A 7.49 5.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.89 4.03 1.77 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.27 0.90 0.00 0.00 118 N 9.54 5.88 0.00 2.66 2.83 0.00 0.00 6.27 8.34 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 0.00 119 Y 8.01 5.30 0.00 3.15 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 0.00 120 M 8.25 5.53 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 121 A 8.25 4.97 1.07 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 0.00 0.00 122 A 8.93 5.28 1.39 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 0.00 123 D 9.28 4.72 0.00 2.82 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 0.00 124 G 8.79 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 0.00 125 D 8.62 4.83 0.00 2.68 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 0.00 126 F 7.77 5.03 0.00 2.52 2.88 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 0.00 127 K 8.17 4.25 0.00 1.72 1.43 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.27 7.81 128 I 8.01 3.85 1.76 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.49 0.89 0.00 0.00 129 K 8.75 4.30 0.00 1.49 1.73 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.38 7.81 *131 V 7.69 3.96 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 0.43 0.00 0.00 0.88 0.00 0.00 132 A 8.77 4.76 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 0.00 133 F 8.95 5.32 0.00 2.86 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 0.00 134 E 8.89 4.40 0.00 2.07 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 2.17 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.