NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6746 8.3649 120.4836 54.2421 42.3683 174.2962 3 I 4.2265 8.3914 124.5027 59.7192 38.5078 173.5312 4 R 4.4111 9.5917 128.0403 54.5467 32.8332 174.2288 5 Y 4.7765 8.3646 121.8027 56.4373 39.8570 175.0093 6 F 4.7971 9.2788 123.2576 55.8941 42.1835 175.9993 7 G 4.3154 9.0376 111.0914 46.5089 0.0000 173.6923 8 T 4.0043 8.3080 114.5309 63.0459 69.3416 173.9999 9 T 4.5661 8.3074 115.2965 58.7064 71.6372 173.0115 10 P 4.2725 0.0000 0.0000 64.4587 31.5203 177.4271 11 R 4.4342 7.2238 117.0569 57.5538 31.4445 175.2823 12 Y 4.8404 7.5725 113.4024 56.0832 41.0260 172.9135 13 S 5.0762 8.4019 116.4726 56.8742 65.2165 175.2021 14 E 3.9197 8.3232 122.9791 59.1566 30.2611 177.0654 15 A 5.1296 8.0603 119.3763 50.3694 23.2418 175.4112 16 V 4.7888 9.1845 121.5573 60.9841 34.7038 174.5073 17 G 4.7011 9.1752 114.6046 44.5643 0.0000 172.2229 18 A 4.7067 9.5974 125.9728 51.9675 22.3761 176.3667 19 N 4.3659 9.5819 118.1858 54.1092 35.5847 173.1691 20 G 4.1398 8.1229 111.6541 44.9128 0.0000 171.3640 21 L 4.8923 7.7463 118.7720 53.8862 43.8783 176.2269 22 I 5.0849 8.5222 122.1330 59.6535 41.4229 174.2909 23 F 5.1345 9.4375 125.7770 55.7129 41.3409 174.7783 24 L 4.8066 8.5626 124.3637 53.8794 42.6778 177.4145 25 S 4.2697 8.8494 118.4921 58.3104 63.7080 176.1994 26 G 4.3961 8.0623 108.4066 44.9595 0.0000 173.1999 *28 V 3.4456 7.9897 111.4521 59.9776 32.4848 173.7137 29 P 4.3276 0.0000 0.0000 62.9673 31.6086 176.3012 30 E 4.5959 9.6113 121.2433 56.4232 31.4240 175.6993 31 N 5.0299 8.0309 113.8881 51.8659 42.6895 174.5930 32 G 4.1140 8.9079 104.8411 46.5028 0.0000 172.9565 33 E 4.4508 8.8069 119.4172 58.0434 31.1937 177.8560 34 T 4.2239 8.2394 108.9557 60.8873 70.9740 175.1082 35 A 3.9658 8.6533 123.4056 55.4659 18.3244 179.9722 36 A 3.9203 8.5005 119.0667 55.3958 18.5419 179.7235 37 E 3.9213 7.9513 116.8005 59.6815 29.4953 179.7295 38 Q 4.1147 8.3500 118.2360 59.1735 28.6987 178.7114 39 T 3.7680 8.2697 116.9471 66.6470 68.5315 176.1348 40 A 3.8704 7.9573 122.3938 55.4008 18.3680 179.1446 41 D 4.2115 8.0738 116.2622 57.4829 41.2765 178.6761 42 V 3.4978 7.8755 118.8190 66.0061 31.4517 178.0932 43 L 3.4585 8.0009 118.7745 57.2702 41.2450 179.3290 44 A 4.0129 8.0482 121.0428 54.9702 18.2491 179.7191 45 Q 3.9105 8.0342 116.6391 59.2732 28.8676 178.8390 46 I 3.8682 7.8418 120.7438 64.8043 37.1479 178.0766 47 D 4.5201 8.5330 119.7460 57.4611 40.6567 179.0317 48 R 3.7297 7.7130 118.6388 59.1565 30.1758 178.6499 49 W 4.3184 8.0689 118.7731 59.4023 29.0248 178.4159 50 L 3.9598 8.2264 118.9064 57.9245 41.1474 179.3533 51 A 4.1214 7.6359 121.1915 54.7994 18.1082 179.4507 52 E 3.9531 7.8321 115.4263 59.2682 29.5723 178.4743 53 C 3.9261 7.4741 113.7231 58.4094 29.0471 173.4008 54 G 3.7013 8.4506 109.1507 46.4707 0.0000 173.0352 55 S 4.6269 8.2042 113.3379 56.9455 66.2352 171.0510 56 D 4.6406 7.9966 119.6699 51.8977 41.3539 176.0431 57 K 3.8438 8.3974 117.1505 59.4359 32.4630 178.2523 58 A 4.1042 7.5161 120.8503 53.4664 18.6375 177.1674 59 H 4.8020 8.1590 112.9348 55.0835 30.0098 173.1428 60 V 4.1416 7.3759 119.5773 62.7573 32.1273 175.8855 61 L 4.3622 9.0012 127.8405 57.1680 43.0734 176.5252 62 D 5.3247 7.8484 116.7548 52.8317 45.1512 173.9678 63 A 5.1653 9.2967 126.8073 50.3896 22.8028 174.6803 64 V 4.3775 8.6307 123.0086 61.1632 33.8161 174.4473 65 I 4.5205 8.5061 129.3605 59.8558 39.2458 174.1232 66 Y 5.0745 8.9263 126.3347 56.6062 39.7413 174.7889 67 L 5.0977 8.8903 125.0189 52.9122 43.8005 177.7481 68 R 4.1824 8.7958 123.9770 58.8303 30.7778 175.3660 69 D 4.9361 7.0542 116.0473 52.1112 43.7167 174.7490 *71 G 3.8661 8.6034 104.6727 45.7166 0.0000 173.1009 72 D 4.7431 8.2930 119.3957 54.3966 40.9486 177.5347 73 Y 3.9852 8.0972 120.8338 60.8917 39.1796 177.2536 74 A 3.9840 8.2515 121.8522 55.3515 18.9826 179.6603 75 E 4.0292 7.6657 113.0169 57.4214 29.4069 178.0396 *77 N 4.7135 8.3498 116.6022 52.8492 40.6637 176.7007 78 G 3.8200 8.3854 105.1765 48.0473 0.0000 175.6876 79 V 3.7381 7.4965 119.0122 65.0047 31.7036 177.8162 80 W 4.2896 8.2286 127.6834 60.7514 30.3644 177.4494 81 D 4.4216 8.6238 117.5959 57.3697 40.4379 178.2547 82 A 4.1745 7.5417 118.0663 53.1814 18.4968 178.4113 83 W 4.3747 7.2751 124.9585 58.3108 31.8881 177.0008 84 V 2.8153 6.6185 110.1729 61.1873 31.8168 175.6897 85 A 3.9001 7.8279 125.1052 51.0640 18.7742 177.2072 86 A 4.1232 8.3595 126.7322 53.7451 18.7971 177.9907 87 G 4.0237 8.9763 109.6428 45.9917 0.0000 173.7697 88 R 4.6729 7.6985 118.6182 55.7213 31.4362 175.5697 89 T 4.0510 7.9613 107.8986 60.8075 69.6701 172.3661 90 P 4.7580 0.0000 0.0000 61.8142 33.1966 175.3938 91 A 4.2685 8.6469 122.0607 52.2688 19.1845 176.7823 92 R 5.1458 8.4726 120.4404 54.7567 33.9553 174.0283 93 A 4.6863 8.5924 124.7439 50.4371 22.9866 174.5005 94 C 5.1326 8.5839 121.2476 57.5695 34.3080 173.2486 95 V 4.4864 8.7403 124.8107 61.2960 35.4280 172.9887 96 E 5.0859 8.7407 126.8533 55.2033 30.6549 174.6479 97 A 4.7442 9.1654 128.0023 50.7643 23.1039 176.0522 98 R 4.0007 8.7565 121.3393 56.2285 30.8560 175.9615 99 L 4.7892 7.9991 119.8332 52.5434 44.6628 176.3954 100 A 4.0764 8.8574 121.3671 54.6112 18.7693 178.1214 101 R 4.3340 6.6109 113.3301 53.3508 33.2359 174.9802 102 P 4.2780 0.0000 0.0000 65.4632 31.5612 177.9770 103 E 4.0720 7.8438 116.6398 58.3990 29.6301 176.9682 104 W 4.8143 7.7548 119.2281 56.6043 29.4607 176.2048 105 R 4.6745 9.7788 123.1278 56.9301 31.2769 176.7106 106 V 5.0577 7.5469 117.2210 60.4119 34.5117 173.2905 107 E 4.7364 9.5713 124.5409 54.5066 33.2970 174.0342 108 I 5.0359 8.4019 125.9277 59.3733 40.7518 174.3871 109 K 4.6015 9.0994 128.6443 54.7888 34.3724 174.6818 110 I 5.1254 8.4442 127.7718 59.9330 40.3826 174.5731 111 T 4.8964 8.9976 122.0121 61.8556 71.6975 173.1625 112 A 5.1522 8.9813 127.6321 50.3046 23.4071 174.4337 113 V 4.9202 8.0867 116.0947 59.8064 34.2925 176.2576 114 K 4.3716 8.8455 122.8366 56.4251 32.7219 177.2085 115 R 3.9853 8.2785 123.0210 56.1603 30.8371 176.7376 116 D 4.4751 8.5307 121.7029 54.6509 41.0190 176.3651 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 D 8.36 4.67 0.00 2.57 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 3 I 8.39 4.23 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.29 0.00 0.00 4 R 9.59 4.41 0.00 1.59 1.45 0.00 3.28 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 5 Y 8.36 4.78 0.00 2.75 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 6 F 9.28 4.80 0.00 3.04 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 7 G 9.04 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 0.00 0.00 0.00 0.00 8 T 8.31 4.00 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 1.08 0.00 0.00 9 T 8.31 4.57 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 0.78 0.00 0.00 10 P 0.00 4.27 0.00 2.03 2.12 0.00 3.56 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 1.99 2.02 0.00 11 R 7.22 4.43 0.00 1.95 2.04 0.00 3.53 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 12 Y 7.57 4.84 0.00 3.20 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 13 S 8.40 5.08 0.00 3.95 4.06 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 14 E 8.32 3.92 0.00 1.16 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 2.17 1.59 0.00 15 A 8.06 5.13 1.19 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 0.00 0.00 0.00 16 V 9.18 4.79 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 0.88 0.00 0.00 1.03 0.00 0.00 17 G 9.18 4.70 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 18 A 9.60 4.71 1.25 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 19 N 9.58 4.37 0.00 2.81 3.06 0.00 0.00 7.38 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 20 G 8.12 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 21 L 7.75 4.89 0.00 1.91 1.53 1.04 0.38 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 22 I 8.52 5.08 1.88 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 1.21 0.64 0.89 0.00 0.00 23 F 9.44 5.13 0.00 2.92 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 24 L 8.56 4.81 0.00 1.60 1.60 1.05 0.86 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 25 S 8.85 4.27 0.00 3.73 3.60 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 26 G 8.06 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.45 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 0.31 0.00 0.00 0.08 0.00 0.00 29 P 0.00 4.33 0.00 1.94 1.91 0.00 2.49 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 2.08 1.98 0.00 30 E 9.61 4.60 0.00 1.99 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 2.25 2.35 0.00 31 N 8.03 5.03 0.00 2.79 2.67 0.00 0.00 7.12 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 32 G 8.91 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 0.00 0.00 0.00 33 E 8.81 4.45 0.00 1.97 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 0.00 2.26 2.29 0.00 34 T 8.24 4.22 4.45 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 1.23 0.00 0.00 35 A 8.65 3.97 1.47 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 0.00 0.00 36 A 8.50 3.92 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 37 E 7.95 3.92 0.00 2.13 2.02 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 2.34 2.36 0.00 38 Q 8.35 4.11 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 39 T 8.27 3.77 4.35 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 1.21 0.00 0.00 40 A 7.96 3.87 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 41 D 8.07 4.21 0.00 2.88 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 42 V 7.88 3.50 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 0.88 0.00 0.00 0.84 0.00 0.00 43 L 8.00 3.46 0.00 1.07 0.13 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.05 4.01 1.34 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 0.00 0.00 45 Q 8.03 3.91 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 46 I 7.84 3.87 1.98 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 1.60 0.84 1.15 0.00 0.00 47 D 8.53 4.52 0.00 2.97 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 48 R 7.71 3.73 0.00 1.95 1.36 0.00 2.98 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.42 0.00 49 W 8.07 4.32 0.00 3.50 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 50 L 8.23 3.96 0.00 1.79 1.78 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.64 4.12 1.34 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 0.00 0.00 52 E 7.83 3.95 0.00 2.17 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 2.24 2.35 0.00 53 C 7.47 3.93 0.00 2.91 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 54 G 8.45 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 55 S 8.20 4.63 0.00 3.79 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 56 D 8.00 4.64 0.00 2.82 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 57 K 8.40 3.84 0.00 0.85 1.65 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.54 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.10 0.83 7.81 58 A 7.52 4.10 1.19 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 0.00 0.00 0.00 59 H 8.16 4.80 0.00 3.31 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.38 4.14 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 0.92 0.00 0.00 1.02 0.00 0.00 61 L 9.00 4.36 0.00 1.70 1.67 0.85 0.77 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 62 D 7.85 5.32 0.00 2.76 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.30 5.17 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 64 V 8.63 4.38 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 0.36 0.00 0.00 0.87 0.00 0.00 65 I 8.51 4.52 1.60 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.24 0.78 0.00 0.00 66 Y 8.93 5.07 0.00 2.86 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 67 L 8.89 5.10 0.00 1.60 1.60 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.80 4.18 0.00 2.03 2.01 0.00 3.21 0.00 0.00 3.04 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 69 D 7.05 4.94 0.00 2.70 2.50 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 0.00 0.00 0.00 0.00 *71 G 8.60 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.29 4.74 0.00 2.90 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 73 Y 8.10 3.99 0.00 2.80 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 74 A 8.25 3.98 1.33 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 0.00 0.00 0.00 75 E 7.67 4.03 0.00 2.19 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 2.32 2.30 0.00 *77 N 8.35 4.71 0.00 2.83 2.75 0.00 0.00 6.89 7.60 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 78 G 8.39 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 79 V 7.50 3.74 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 1.02 0.00 0.00 0.99 0.00 0.00 80 W 8.23 4.29 0.00 3.49 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 81 D 8.62 4.42 0.00 2.74 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 82 A 7.54 4.17 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 83 W 7.28 4.37 0.00 3.26 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 84 V 6.62 2.82 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 -0.09 0.00 0.00 0.81 0.00 0.00 85 A 7.83 3.90 1.01 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 86 A 8.36 4.12 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 87 G 8.98 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 88 R 7.70 4.67 0.00 1.64 1.75 0.00 3.07 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 89 T 7.96 4.05 4.34 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 1.23 0.00 0.00 90 P 0.00 4.76 0.00 2.26 2.38 0.00 4.01 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 91 A 8.65 4.27 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 92 R 8.47 5.15 0.00 1.81 1.68 0.00 2.21 0.00 0.00 2.94 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.00 93 A 8.59 4.69 1.11 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 0.00 0.00 94 C 8.58 5.13 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.74 4.49 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 1.05 0.00 0.00 0.90 0.00 0.00 96 E 8.74 5.09 0.00 2.08 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 2.39 2.39 0.00 97 A 9.17 4.74 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 98 R 8.76 4.00 0.00 1.81 1.87 0.00 3.16 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 99 L 8.00 4.79 0.00 1.87 1.90 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.86 4.08 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 0.00 101 R 6.61 4.33 0.00 0.67 1.31 0.00 2.74 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 102 P 0.00 4.28 0.00 1.97 2.06 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 103 E 7.84 4.07 0.00 1.98 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 0.00 2.30 2.34 0.00 104 W 7.75 4.81 0.00 3.51 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 0.00 105 R 9.78 4.67 0.00 1.82 2.14 0.00 3.35 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 106 V 7.55 5.06 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 0.60 0.00 0.00 0.92 0.00 0.00 107 E 9.57 4.74 0.00 2.02 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 2.33 2.25 0.00 108 I 8.40 5.04 1.86 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 1.17 0.75 0.98 0.00 0.00 109 K 9.10 4.60 0.00 1.97 1.76 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 110 I 8.44 5.13 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.99 0.00 0.00 111 T 9.00 4.90 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 0.60 0.00 0.00 112 A 8.98 5.15 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 0.00 113 V 8.09 4.92 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 0.80 0.00 0.00 1.00 0.00 0.00 114 K 8.85 4.37 0.00 1.63 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.42 7.81 115 R 8.28 3.99 0.00 1.63 1.76 0.00 3.07 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.40 0.00 116 D 8.53 4.48 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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.