NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 5.0173 8.4449 116.3673 55.3170 29.9136 172.6334 13 F 4.2202 9.0653 120.4923 56.3696 39.8031 173.3024 14 H 4.8633 9.7341 124.9378 54.5981 32.7507 172.1557 15 Y 5.0532 8.3587 124.2760 56.8900 40.0085 175.6116 16 T 4.5389 8.1902 113.2168 59.8124 72.5094 176.0180 17 V 3.5299 8.1364 119.6203 66.5540 31.3078 177.6837 18 T 3.7761 7.8745 114.7088 66.7854 68.2471 175.7604 19 D 4.1674 7.9607 120.4399 57.6326 40.8064 179.1406 20 I 3.0299 7.7013 120.0601 63.9543 37.1413 178.3960 21 K 3.8327 8.4161 120.7260 59.7468 32.0330 178.6741 22 D 4.2914 8.2099 119.3375 56.9632 40.6569 178.8868 23 L 3.6056 7.7386 120.2951 57.8457 41.3463 179.5530 24 T 4.0360 7.8258 110.0785 64.8979 68.4174 176.5429 25 K 4.0011 7.7557 119.8345 58.3623 32.1108 178.3603 26 L 4.1684 7.5328 119.6598 55.2950 42.0795 177.3208 27 G 3.9395 7.5590 105.9255 45.3577 0.0000 173.1804 28 A 4.9305 7.7691 120.8221 51.3864 19.6425 177.7387 29 I 4.5208 8.7066 112.8429 59.3929 40.7221 173.8027 30 Y 4.0759 7.5942 124.9296 55.8268 40.0505 174.7173 31 D 4.1205 8.0040 127.1684 52.4557 39.3057 176.6702 32 K 3.2633 8.0360 126.7057 59.5523 32.1812 179.9415 33 T 3.9556 7.4821 106.6886 63.8592 68.9208 174.9028 34 K 3.8955 7.1042 121.9433 56.0310 32.4696 177.9725 35 K 4.0982 7.9529 116.7321 56.5861 31.1814 175.2401 36 Y 5.1679 6.5223 115.6451 54.7536 41.8897 174.9306 37 W 5.1198 9.5976 120.0570 56.8548 30.9809 175.5724 38 V 5.1679 9.7115 122.6928 61.5704 34.6664 173.7963 39 Y 5.0133 8.9050 127.4692 56.6467 42.4562 174.8881 40 Q 2.8814 8.8757 124.8948 57.0545 26.3330 174.5506 41 G 3.9279 8.3776 102.2475 45.7728 0.0000 173.8436 42 K 4.7659 7.5939 118.5323 53.3652 35.9797 174.0271 43 P 4.7133 0.0000 0.0000 62.9711 32.1991 176.4372 44 V 4.8628 8.3460 127.1918 61.6182 34.0487 173.0307 *46 P 3.9615 0.0000 0.0000 62.1445 32.8579 177.0413 47 D 4.2553 8.7986 118.1000 57.7771 41.0936 178.1323 48 Q 4.0282 8.0391 119.5746 59.0482 29.0806 177.6543 49 F 3.8327 8.2789 121.1530 61.6678 39.3935 176.8587 50 T 3.9931 8.1598 115.2635 66.7114 68.2641 176.2739 51 F 4.0772 8.7040 122.6524 61.3821 39.5143 176.7707 52 E 3.6574 8.7138 118.5805 59.2942 29.1907 179.1373 53 L 3.8309 7.8689 120.0423 58.2417 42.1471 179.0043 54 L 3.9161 8.1149 119.1321 57.7185 41.4885 178.9067 55 D 4.0532 8.1242 118.2139 57.3341 40.6823 178.1605 56 F 4.0498 8.0551 120.9001 61.2927 39.2102 177.0744 57 L 3.8385 8.1833 118.7320 58.0087 41.3376 179.0182 58 H 4.0309 8.3398 118.3554 59.2081 29.5368 177.2422 59 Q 3.4091 7.8571 119.2446 58.7053 28.5651 178.3851 60 L 4.1269 7.0586 117.4357 56.0212 41.9215 177.6898 61 T 4.3163 7.1985 106.9421 60.8727 70.6160 173.9425 62 H 3.5359 8.5792 117.6204 55.9450 26.9895 174.9162 63 L 4.1333 7.3258 118.0073 54.5414 41.8903 177.4711 64 S 4.4969 8.3338 116.5250 57.7048 63.9656 174.1960 65 F 4.4826 8.7799 122.0761 61.6936 39.2886 176.1273 66 S 4.0951 8.3111 116.1113 61.7549 62.9609 176.1966 67 K 4.3330 7.7268 116.5105 56.9936 31.7660 178.5176 *69 K 4.2350 8.1530 121.2861 56.5299 33.9801 177.7859 70 A 3.9919 7.7223 120.5460 55.0352 17.9542 179.3441 71 L 3.9333 7.8896 118.0831 58.0965 42.4015 179.0577 72 L 4.1393 7.7314 118.4222 58.0567 41.7948 179.0826 73 E 4.0971 8.3782 118.4677 59.5337 29.1496 179.4691 74 R 3.9737 7.7672 116.6593 58.0338 30.3599 178.3242 75 S 4.2340 8.2421 113.3772 58.6873 64.6084 173.6369 76 H 4.0772 7.3699 117.8715 56.8585 26.2163 174.4336 77 S 4.3419 7.6677 113.0207 57.5793 63.3980 172.4811 78 P 4.2555 0.0000 0.0000 64.5251 31.4101 175.8929 79 Y 4.9360 7.7375 115.5875 56.4745 39.7935 176.1831 80 Y 4.4397 8.6689 126.0537 57.0949 42.1275 173.1257 *82 L 4.1557 8.3603 118.7038 55.7656 43.5188 177.6839 83 N 4.1741 8.8292 122.1984 54.1051 36.2345 176.5177 84 R 3.8453 7.6769 117.2572 59.7308 30.1707 176.5449 85 D 4.5293 8.0456 117.7170 57.4687 41.0321 178.8865 86 R 3.8857 7.9710 118.4790 59.8503 30.2026 178.5963 87 T 3.8716 7.9096 115.4643 66.3899 68.4797 176.3561 88 L 3.7076 8.3545 122.6038 57.8916 42.0153 178.8110 89 K 3.1090 7.4628 119.5012 59.3196 32.0503 177.7841 90 N 4.1652 7.8597 117.1506 56.9674 38.5350 176.5860 91 I 3.6723 7.4754 119.5209 64.5753 37.6550 178.2773 92 T 3.7803 7.5005 110.2585 64.9641 68.4793 176.4327 93 E 4.1186 8.4607 120.7747 57.8121 29.4997 177.6885 94 T 4.3894 7.2597 106.4276 61.0823 69.8678 174.3159 95 C 4.2715 7.8415 123.8556 59.4790 32.2324 174.0209 96 K 4.0656 8.7355 128.3605 59.1087 31.8039 179.2261 97 A 4.4370 7.8436 122.2284 54.9885 18.1817 179.2869 98 C 4.1140 8.0774 113.2680 62.8137 28.3565 175.7356 99 A 4.1498 7.9431 122.4831 55.1539 17.9400 179.8186 100 Q 3.9987 8.2526 116.5337 59.2322 28.7604 179.0811 101 V 3.8528 7.6988 110.8121 62.9418 31.3220 176.1478 102 N 4.8213 7.8353 114.2697 53.1481 40.1757 174.7215 103 A 4.4993 7.8858 119.7640 53.1522 18.4958 178.8025 104 S 4.4902 7.3781 113.9802 57.3834 61.6338 173.5271 105 K 4.6550 7.8059 126.8871 55.2042 35.1921 176.5769 106 S 4.3655 8.4678 114.2887 58.6142 63.2696 174.0848 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 12 H 8.44 5.02 0.00 3.41 3.46 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 9.07 4.22 0.00 3.18 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 14 H 9.73 4.86 0.00 3.06 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.36 5.05 0.00 2.90 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 16 T 8.19 4.54 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 1.29 0.00 0.00 17 V 8.14 3.53 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 0.88 0.00 0.00 0.93 0.00 0.00 18 T 7.87 3.78 4.18 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 1.20 0.00 0.00 19 D 7.96 4.17 0.00 2.86 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 20 I 7.70 3.03 1.94 0.00 0.00 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 1.43 0.84 0.97 0.00 0.00 21 K 8.42 3.83 0.00 1.76 1.91 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 22 D 8.21 4.29 0.00 2.66 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 23 L 7.74 3.61 0.00 0.69 0.54 -0.21 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.83 4.04 4.33 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 1.48 0.00 0.00 25 K 7.76 4.00 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.42 7.81 26 L 7.53 4.17 0.00 1.57 1.48 0.75 0.67 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 27 G 7.56 3.94 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 0.00 28 A 7.77 4.93 1.51 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 29 I 8.71 4.52 1.81 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 1.18 0.90 0.96 0.00 0.00 30 Y 7.59 4.08 0.00 1.43 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 0.00 0.00 0.00 31 D 8.00 4.12 0.00 2.30 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 0.00 0.00 0.00 32 K 8.04 3.26 0.00 1.65 1.68 0.00 1.38 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 33 T 7.48 3.96 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 1.12 0.00 0.00 34 K 7.10 3.90 0.00 1.76 0.74 0.00 1.51 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.91 1.23 7.81 35 K 7.95 4.10 0.00 2.08 2.15 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.34 7.81 36 Y 6.52 5.17 0.00 3.23 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 37 W 9.60 5.12 0.00 3.73 3.46 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 38 V 9.71 5.17 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 1.11 0.00 0.00 1.20 0.00 0.00 39 Y 8.91 5.01 0.00 2.88 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 0.00 0.00 0.00 0.00 40 Q 8.88 2.88 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.06 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 41 G 8.38 3.93 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 0.00 42 K 7.59 4.77 0.00 1.81 1.89 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.61 7.81 43 P 0.00 4.71 0.00 1.80 0.85 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 44 V 8.35 4.86 2.29 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 0.95 0.00 0.00 1.19 0.00 0.00 *46 P 0.00 3.96 0.00 2.36 2.15 0.00 3.77 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 47 D 8.80 4.26 0.00 2.81 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 48 Q 8.04 4.03 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 49 F 8.28 3.83 0.00 3.09 2.93 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 50 T 8.16 3.99 4.54 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 1.28 0.00 0.00 51 F 8.70 4.08 0.00 3.02 3.20 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 52 E 8.71 3.66 0.00 1.91 1.78 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 2.40 2.63 0.00 53 L 7.87 3.83 0.00 1.76 1.93 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.11 3.92 0.00 1.69 1.60 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.12 4.05 0.00 1.74 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 0.00 0.00 0.00 0.00 56 F 8.06 4.05 0.00 3.11 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 57 L 8.18 3.84 0.00 1.85 1.66 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.34 4.03 0.00 3.14 3.31 0.00 5.79 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 59 Q 7.86 3.41 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 60 L 7.06 4.13 0.00 1.35 1.50 0.28 0.55 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 61 T 7.20 4.32 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 1.13 0.00 0.00 62 H 8.58 3.54 0.00 3.15 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.33 4.13 0.00 1.61 1.63 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.33 4.50 0.00 4.05 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 65 F 8.78 4.48 0.00 2.95 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 66 S 8.31 4.10 0.00 3.91 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 67 K 7.73 4.33 0.00 2.03 1.83 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *69 K 8.15 4.23 0.00 2.09 1.93 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 70 A 7.72 3.99 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.89 3.93 0.00 1.88 1.73 0.93 0.93 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 72 L 7.73 4.14 0.00 1.97 1.72 0.96 1.00 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 73 E 8.38 4.10 0.00 2.01 2.03 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 2.36 2.54 0.00 74 R 7.77 3.97 0.00 2.05 1.95 0.00 3.15 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 75 S 8.24 4.23 0.00 4.01 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 0.00 76 H 7.37 4.08 0.00 3.42 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.67 4.34 0.00 3.91 3.84 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 78 P 0.00 4.26 0.00 1.17 1.77 0.00 3.78 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 1.94 2.02 0.00 79 Y 7.74 4.94 0.00 2.89 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 80 Y 8.67 4.44 0.00 3.17 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 *82 L 8.36 4.16 0.00 1.70 1.57 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.83 4.17 0.00 3.04 2.84 0.00 0.00 6.78 7.66 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 84 R 7.68 3.85 0.00 1.76 1.82 0.00 3.20 0.00 0.00 3.29 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 85 D 8.05 4.53 0.00 2.92 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 86 R 7.97 3.89 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 87 T 7.91 3.87 4.47 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 1.44 0.00 0.00 88 L 8.35 3.71 0.00 1.71 1.30 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.46 3.11 0.00 1.73 1.83 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.53 7.81 90 N 7.86 4.17 0.00 2.86 2.99 0.00 0.00 7.32 7.50 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 91 I 7.48 3.67 1.86 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 1.58 0.86 0.72 0.00 0.00 92 T 7.50 3.78 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 1.08 0.00 0.00 93 E 8.46 4.12 0.00 1.96 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 0.00 2.49 2.48 0.00 94 T 7.26 4.39 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 1.27 0.00 0.00 95 C 7.84 4.27 0.00 3.21 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 96 K 8.74 4.07 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.51 7.81 97 A 7.84 4.44 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 98 C 8.08 4.11 0.00 3.18 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 99 A 7.94 4.15 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 0.00 100 Q 8.25 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 101 V 7.70 3.85 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 0.70 0.00 0.00 1.01 0.00 0.00 102 N 7.84 4.82 0.00 3.00 2.74 0.00 0.00 6.95 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 0.00 103 A 7.89 4.50 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 S 7.38 4.49 0.00 4.02 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 0.00 105 K 7.81 4.65 0.00 1.73 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 106 S 8.47 4.37 0.00 3.97 3.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.