NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3823 8.3049 120.3496 54.5525 32.7124 176.1788 2 N 3.6094 8.5116 109.7015 54.9934 38.6927 173.0130 3 R 4.4246 7.9751 125.7777 53.8430 31.4284 176.2654 4 G 3.8956 8.5413 109.5143 46.5366 0.0000 170.9648 5 A 4.4866 7.7198 121.7759 53.6823 19.9150 178.4163 6 L 3.8940 7.6880 118.0584 58.4748 42.2857 178.9727 7 I 3.8259 7.7790 118.9682 64.4651 37.1138 177.9319 8 K 4.6142 8.0417 119.8036 59.1825 31.7341 178.9502 9 L 4.0273 7.4443 117.2657 57.7334 41.4883 179.8546 10 V 3.6984 8.1065 117.8613 66.1819 31.8681 177.5709 11 E 4.2154 8.2938 117.7332 58.9550 30.2740 177.5586 12 S 4.2345 7.7087 115.5463 58.3242 59.2226 173.8147 13 R 4.2768 8.0225 120.5503 56.4365 30.8871 175.7044 14 Y 4.5191 7.9170 113.4731 58.4561 38.2285 176.0108 15 V 3.6190 7.5486 112.8048 61.8523 32.1374 175.7117 16 R 4.6199 8.3870 121.8376 54.7993 32.9030 174.5420 17 T 4.5364 8.3876 118.9026 59.9329 69.9039 173.4625 18 D 5.7693 8.2664 135.0000 54.2808 38.6828 176.5663 19 L 4.3335 7.4030 121.1431 52.9721 42.6211 174.5287 20 P 4.1775 0.0000 0.0000 62.8793 31.5998 175.7452 21 E 3.9030 8.7113 124.9601 55.9682 30.1439 175.5627 22 F 4.9376 7.1550 119.6829 56.4675 41.0503 173.1213 23 R 4.5066 9.0060 113.0156 56.2729 31.0069 174.6396 24 P 4.4897 0.0000 0.0000 66.8058 29.8818 176.6860 25 G 3.5638 10.5520 107.8052 45.8328 0.0000 174.9620 26 D 4.5710 7.7221 116.0694 53.5778 44.3393 176.6413 27 T 4.3836 7.0051 130.1489 60.4858 66.7071 175.1743 28 V 4.0104 8.7455 118.8122 60.2195 32.0517 168.6226 29 R 4.6871 9.3555 128.3937 56.4179 33.0477 174.6413 30 V 3.2412 8.0514 111.6313 62.0166 32.7004 174.4271 31 S 4.1537 7.5130 120.4039 56.8383 62.5855 175.5739 32 Y 5.1887 8.4652 124.5868 57.7090 38.1713 173.4249 33 K 4.6964 6.5886 119.4485 55.5654 30.2766 174.8904 34 V 4.4071 8.6209 124.2634 60.3150 33.1669 175.8004 35 K 4.0912 8.3014 122.8346 58.4368 36.5547 174.0638 36 E 3.6142 9.8186 118.6630 57.1002 28.1897 175.7596 37 G 3.9777 8.3686 105.1838 45.1330 0.0000 173.1630 38 N 4.8727 7.9436 117.8570 50.8044 38.3660 175.5785 39 R 4.0657 8.9394 123.5684 59.3826 30.3624 177.2008 40 T 4.0384 7.5152 105.7271 61.2418 68.8345 173.4531 41 R 4.2992 9.4234 118.0043 56.6108 29.3057 176.3815 42 I 4.7876 7.5912 113.0531 58.3029 36.9847 174.0743 43 Q 4.2552 8.1845 129.9695 57.2716 30.3696 174.7636 44 D 4.9116 8.5312 120.9405 52.3692 45.0233 174.6525 45 F 4.4830 8.8789 125.3561 56.8966 40.9609 173.5684 46 E 4.6923 8.3210 129.2105 54.3933 28.4449 174.2821 47 G 4.2777 7.8755 110.5294 43.7073 0.0000 168.8802 48 I 4.4948 8.3484 120.5882 60.3614 38.5195 176.0979 49 V 4.4699 8.3063 125.6545 61.3600 32.1381 176.7385 50 I 3.8942 8.8769 127.0112 63.1035 37.9808 175.9430 51 R 4.7103 7.4697 113.5695 54.8476 33.0398 174.2526 52 I 4.9279 8.4630 122.4090 59.9416 39.6545 175.5034 53 R 4.4293 9.1119 130.1547 54.7392 30.2320 175.4156 54 R 4.3948 8.3939 124.9197 56.1163 30.9428 176.8786 55 N 4.5792 8.9006 117.3618 54.3755 41.4669 174.8026 56 G 3.7791 8.3255 109.5652 45.3206 0.0000 176.2455 57 F 4.6837 8.4494 122.9887 57.9339 42.1254 175.7373 58 N 3.8160 6.3188 116.0198 52.9814 36.0822 173.7097 59 T 4.4702 7.7902 117.5412 62.7984 68.8311 173.6020 60 T 5.2879 8.5204 117.3090 59.6223 72.5715 172.4295 61 F 6.1434 8.4084 113.7791 57.1201 40.9911 173.1625 62 T 5.5474 8.5380 109.8750 59.1359 72.4538 172.7418 63 V 4.9695 8.2362 115.6232 59.7036 35.4643 174.2074 64 R 5.1250 9.3636 126.1424 54.5989 32.0093 174.4781 65 K 4.4696 9.6959 128.4780 54.6342 35.3427 175.2502 66 V 4.2132 8.3179 127.2229 61.6637 31.3316 174.4430 67 S 4.2394 8.5362 121.9415 57.4480 61.7536 171.7533 68 Y 3.4336 7.8442 127.4102 57.8889 36.4345 170.8586 69 G 3.9712 8.2724 109.6660 46.9229 0.0000 173.2887 70 V 3.8176 7.7950 120.4688 61.9806 32.2000 175.4308 71 G 4.1211 8.4788 114.3798 46.5729 0.0000 172.9440 72 V 4.8041 9.0361 121.5301 61.1884 35.3230 173.1730 73 E 5.3835 8.9543 125.1800 54.6385 32.3113 175.2010 74 R 4.1739 8.8210 121.0259 54.1744 33.4431 174.7752 75 I 4.3892 7.4898 122.9018 59.5034 39.2240 174.8521 76 F 4.9314 7.9627 125.8535 54.8927 41.3883 175.4866 77 P 4.1981 0.0000 0.0000 63.8500 31.4289 177.3503 78 L 4.2364 9.3072 117.5526 55.5265 40.3258 173.0356 79 H 5.0106 7.8113 111.5046 55.4897 33.8166 174.4160 80 S 3.9403 8.3286 117.6128 58.4298 60.9053 170.4460 81 P 4.3591 0.0000 0.0000 62.2463 30.5443 174.5846 82 L 4.9820 8.3800 118.1677 53.8803 44.0681 175.3624 83 I 3.6726 7.8410 114.5533 63.0124 38.1136 176.3671 84 Q 4.4961 7.1896 115.5669 58.8085 32.8839 172.3213 85 K 4.6205 8.3913 116.4994 56.3669 34.1607 175.6503 86 I 3.5880 7.2823 116.4493 61.3454 38.2069 174.7799 87 D 4.3358 8.4302 127.3972 55.1157 39.9934 175.4386 88 I 3.6409 8.1808 122.5800 62.4700 36.6500 176.9717 89 V 4.1661 5.4500 130.6782 61.6582 33.8285 176.3622 90 Q 4.3631 8.7634 128.2305 55.5598 27.8244 175.8368 91 R 4.4176 7.6888 126.5711 56.8594 32.5224 174.7755 92 G 4.1439 9.0289 113.3744 46.8672 0.0000 175.1245 93 R 3.6500 7.8975 116.9907 56.0288 28.7457 175.2791 94 A 3.9667 8.0622 117.8827 51.8914 18.0880 179.4301 95 R 3.9862 8.8427 122.9002 58.9049 30.4280 177.0269 96 R 4.7360 7.5048 112.4137 53.7446 32.5477 175.4867 97 A 4.0829 8.8879 122.5456 54.8671 18.5996 178.0897 98 K 4.4358 7.9764 114.6193 54.7109 33.8736 177.0123 99 L 5.0695 7.5647 123.4306 54.3628 40.0810 175.9702 100 Y 4.1906 8.0834 122.0466 60.8698 38.7843 178.0312 101 F 4.3021 8.6341 114.1429 59.5463 38.0693 176.8867 102 I 3.5451 7.3371 122.2032 64.7982 37.0336 178.5057 103 R 3.9050 7.4810 117.8277 58.6819 31.3348 177.0774 104 N 4.4525 8.1834 113.1482 53.4245 37.8601 175.1771 105 L 4.2274 8.9625 125.3381 55.1608 42.0423 176.3757 106 S 4.7710 7.9983 114.6965 56.2566 67.8003 172.8908 107 D 5.0792 8.8100 125.9127 52.8076 34.6153 178.2319 108 R 4.2708 8.9174 119.1527 57.8498 30.9521 177.6317 109 E 4.0380 8.2652 119.2627 59.4850 29.4472 179.2990 110 I 3.7106 7.8455 118.9981 64.6706 37.0470 178.3361 111 R 3.9415 7.9577 116.7126 59.5007 29.9930 178.7772 112 R 4.0901 8.2518 117.0800 58.9722 30.2092 178.4719 113 K 4.4202 8.2564 115.6359 56.4359 33.7521 176.7263 114 L 4.8689 7.4558 118.0716 53.3972 42.1010 175.9658 115 R 4.1271 7.5778 119.2453 55.4964 31.4110 176.7286 116 A 4.2268 8.3326 122.4421 52.4870 18.7683 177.3554 117 D 4.6797 8.2978 121.8977 52.2060 40.3624 176.2064 118 R 3.7908 8.3590 124.7503 58.3012 30.6115 181.1091 119 K 4.6587 6.8799 119.6790 58.7124 34.5505 178.0601 120 R 4.2952 8.2971 116.1599 59.0626 30.0459 178.9998 121 I 4.3549 8.2876 121.4316 64.1134 36.7896 178.0309 122 D 4.6926 8.1422 119.1918 57.1433 40.3691 177.9776 123 Q 4.4275 7.5391 115.3655 56.5596 29.2549 176.3886 124 D 4.6730 8.3162 121.7715 56.7012 41.7725 178.9488 125 R 3.9424 8.0229 115.8484 58.5441 30.2859 177.5288 126 A 4.3024 7.5517 118.6083 53.1303 19.4310 177.3106 127 A 4.5898 7.6324 118.4052 52.1715 18.6807 178.4278 128 E 3.7784 8.5433 118.6176 60.3505 30.2839 178.3881 129 R 3.3476 7.5028 119.7463 57.7593 27.6893 174.9498 130 A 4.4274 7.6413 119.2021 51.8855 19.8377 177.0214 131 A 4.0209 7.9463 123.0134 54.0990 17.9773 180.7073 132 K 4.5405 8.3748 124.8567 57.1893 31.3431 178.7014 133 E 4.3499 8.6452 117.5462 56.4520 28.8515 176.9237 134 E 4.5151 7.5769 117.7387 55.3069 32.8644 174.4750 135 A 3.6539 8.6233 126.3239 52.9432 15.5709 177.1004 136 Q 4.8429 7.4747 126.1365 57.0035 31.9781 173.3417 137 K 4.2607 7.9182 119.1670 55.5879 31.3467 175.4421 *138 A 4.1219 7.6409 125.9050 52.5364 18.7921 176.7836 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 1 M 8.30 4.38 0.00 1.98 1.44 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.51 3.61 0.00 2.83 2.72 0.00 0.00 6.49 6.78 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 3 R 7.98 4.42 0.00 1.80 1.79 0.00 3.22 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 4 G 8.54 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 0.00 0.00 0.00 5 A 7.72 4.49 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 6 L 7.69 3.89 0.00 1.67 1.87 0.92 0.89 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 7 I 7.78 3.83 1.88 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 1.64 0.83 1.05 0.00 0.00 8 K 8.04 4.61 0.00 1.94 1.93 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.60 7.81 9 L 7.44 4.03 0.00 1.77 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.11 3.70 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 0.83 0.00 0.00 0.96 0.00 0.00 11 E 8.29 4.22 0.00 2.26 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 2.44 2.52 0.00 12 S 7.71 4.23 0.00 3.93 3.23 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 13 R 8.02 4.28 0.00 1.66 1.58 0.00 3.18 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 14 Y 7.92 4.52 0.00 2.92 3.03 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 0.00 15 V 7.55 3.62 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 0.54 0.00 0.00 0.87 0.00 0.00 16 R 8.39 4.62 0.00 1.82 1.63 0.00 3.39 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 17 T 8.39 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 1.20 0.00 0.00 18 D 8.27 5.77 0.00 2.93 2.83 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 19 L 7.40 4.33 0.00 1.65 1.67 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.18 0.00 2.11 2.07 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 21 E 8.71 3.90 0.00 1.86 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 2.16 2.08 0.00 22 F 7.16 4.94 0.00 3.06 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 23 R 9.01 4.51 0.00 1.97 1.99 0.00 2.98 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 24 P 0.00 4.49 0.00 2.14 2.17 0.00 3.77 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 25 G 10.55 3.56 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 0.00 0.00 0.00 26 D 7.72 4.57 0.00 2.65 2.71 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 0.00 0.00 0.00 0.00 27 T 7.01 4.38 3.35 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 1.02 0.00 0.00 28 V 8.75 4.01 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 0.81 0.00 0.00 1.01 0.00 0.00 29 R 9.36 4.69 0.00 1.92 1.90 0.00 3.30 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.00 30 V 8.05 3.24 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 0.71 0.00 0.00 1.02 0.00 0.00 31 S 7.51 4.15 0.00 3.32 3.25 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 32 Y 8.47 5.19 0.00 3.10 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 33 K 6.59 4.70 0.00 1.77 1.81 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.53 7.81 34 V 8.62 4.41 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 0.87 0.00 0.00 1.08 0.00 0.00 35 K 8.30 4.09 0.00 2.18 2.05 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.12 7.81 36 E 9.82 3.61 0.00 2.08 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 0.00 2.24 2.29 0.00 37 G 8.37 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 38 N 7.94 4.87 0.00 2.89 2.97 0.00 0.00 6.77 6.95 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 39 R 8.94 4.07 0.00 1.85 2.11 0.00 3.25 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 40 T 7.52 4.04 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 41 R 9.42 4.30 0.00 2.17 2.33 0.00 3.34 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 42 I 7.59 4.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.94 0.00 0.00 43 Q 8.18 4.26 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 44 D 8.53 4.91 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.88 4.48 0.00 3.27 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 46 E 8.32 4.69 0.00 1.90 1.68 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 2.11 2.22 0.00 47 G 7.88 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 0.00 0.00 0.00 0.00 48 I 8.35 4.49 1.85 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 0.88 0.95 0.95 0.00 0.00 49 V 8.31 4.47 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 0.96 0.00 0.00 1.22 0.00 0.00 50 I 8.88 3.89 1.73 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 1.30 0.96 0.65 0.00 0.00 51 R 7.47 4.71 0.00 1.68 1.63 0.00 2.75 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 52 I 8.46 4.93 1.91 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 1.47 0.83 0.95 0.00 0.00 53 R 9.11 4.43 0.00 1.89 1.89 0.00 3.12 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 54 R 8.39 4.39 0.00 1.75 1.86 0.00 3.30 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 55 N 8.90 4.58 0.00 2.62 2.89 0.00 0.00 7.18 7.98 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 56 G 8.33 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 57 F 8.45 4.68 0.00 2.95 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 58 N 6.32 3.82 0.00 2.60 2.40 0.00 0.00 5.84 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 59 T 7.79 4.47 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 1.36 0.00 0.00 60 T 8.52 5.29 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 1.20 0.00 0.00 61 F 8.41 6.14 0.00 3.48 3.28 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 0.00 62 T 8.54 5.55 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 1.13 0.00 0.00 63 V 8.24 4.97 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 1.01 0.00 0.00 1.35 0.00 0.00 64 R 9.36 5.12 0.00 1.85 1.79 0.00 3.24 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 65 K 9.70 4.47 0.00 1.44 1.31 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.67 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.87 1.19 7.81 66 V 8.32 4.21 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 0.78 0.00 0.00 0.92 0.00 0.00 67 S 8.54 4.24 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 68 Y 7.84 3.43 0.00 3.20 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 69 G 8.27 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 70 V 7.79 3.82 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 1.00 0.00 0.00 0.95 0.00 0.00 71 G 8.48 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 72 V 9.04 4.80 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 1.12 0.00 0.00 1.07 0.00 0.00 73 E 8.95 5.38 0.00 1.94 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 2.19 2.30 0.00 74 R 8.82 4.17 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 75 I 7.49 4.39 1.61 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.76 0.00 0.00 76 F 7.96 4.93 0.00 2.11 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.12 2.10 0.00 3.92 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 2.02 2.05 0.00 78 L 9.31 4.24 0.00 2.28 2.12 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.81 5.01 0.00 3.24 3.35 0.00 6.04 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 80 S 8.33 3.94 0.00 4.11 3.12 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 81 P 0.00 4.36 0.00 1.18 1.83 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 82 L 8.38 4.98 0.00 1.75 1.79 1.11 1.02 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 83 I 7.84 3.67 1.90 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 1.51 0.54 0.96 0.00 0.00 84 Q 7.19 4.50 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.67 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 85 K 8.39 4.62 0.00 1.71 1.77 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 1.31 7.81 86 I 7.28 3.59 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 1.33 0.91 0.93 0.00 0.00 87 D 8.43 4.34 0.00 2.57 2.58 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 88 I 8.18 3.64 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 1.08 0.51 0.88 0.00 0.00 89 V 5.45 4.17 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 0.77 0.00 0.00 0.91 0.00 0.00 90 Q 8.76 4.36 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 91 R 7.69 4.42 0.00 1.74 1.81 0.00 3.26 0.00 0.00 3.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 92 G 9.03 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 93 R 7.90 3.65 0.00 1.93 1.98 0.00 3.47 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 94 A 8.06 3.97 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 0.00 0.00 0.00 0.00 0.00 95 R 8.84 3.99 0.00 1.82 2.06 0.00 3.33 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 96 R 7.50 4.74 0.00 1.88 1.89 0.00 3.06 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 97 A 8.89 4.08 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 98 K 7.98 4.44 0.00 1.84 1.87 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.30 7.81 99 L 7.56 5.07 0.00 1.51 1.92 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.08 4.19 0.00 3.09 3.03 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 0.00 101 F 8.63 4.30 0.00 3.17 3.32 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 0.00 102 I 7.34 3.55 1.67 0.00 0.00 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 0.76 0.50 0.78 0.00 0.00 103 R 7.48 3.91 0.00 1.85 2.04 0.00 3.20 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 104 N 8.18 4.45 0.00 2.72 2.62 0.00 0.00 7.01 8.42 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 0.00 105 L 8.96 4.23 0.00 1.84 1.80 1.00 0.81 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 0.00 106 S 8.00 4.77 0.00 3.90 4.04 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 0.00 107 D 8.81 5.08 0.00 2.91 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 0.00 108 R 8.92 4.27 0.00 2.06 2.22 0.00 3.00 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 109 E 8.27 4.04 0.00 2.11 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 2.37 2.61 0.00 110 I 7.85 3.71 1.87 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 1.62 0.80 0.89 0.00 0.00 111 R 7.96 3.94 0.00 1.93 2.01 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 112 R 8.25 4.09 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 113 K 8.26 4.42 0.00 1.99 2.07 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 1.58 7.81 114 L 7.46 4.87 0.00 1.71 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.58 4.13 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 116 A 8.33 4.23 1.24 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 0.00 117 D 8.30 4.68 0.00 2.62 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 0.00 118 R 8.36 3.79 0.00 1.96 2.07 0.00 3.41 0.00 0.00 3.27 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 119 K 6.88 4.66 0.00 1.75 2.07 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.52 7.81 120 R 8.30 4.30 0.00 2.02 1.97 0.00 3.21 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 121 I 8.29 4.35 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.18 0.91 0.00 0.00 122 D 8.14 4.69 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.54 4.43 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 124 D 8.32 4.67 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.94 0.00 1.80 2.00 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 126 A 7.55 4.30 1.31 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 0.00 0.00 127 A 7.63 4.59 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 0.00 128 E 8.54 3.78 0.00 2.07 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 2.44 0.00 129 R 7.50 3.35 0.00 1.86 2.26 0.00 3.36 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 130 A 7.64 4.43 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 0.00 131 A 7.95 4.02 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 0.00 132 K 8.37 4.54 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 133 E 8.65 4.35 0.00 1.92 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 2.34 2.39 0.00 134 E 7.58 4.52 0.00 1.84 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 2.17 2.32 0.00 135 A 8.62 3.65 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 0.00 136 Q 7.47 4.84 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.38 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 137 K 7.92 4.26 0.00 1.73 1.70 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.48 7.81 *138 A 7.64 4.12 1.24 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 * Residues marked with a * may have inaccurate shift predictions.