NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.6908 8.1693 120.5794 54.7487 43.1203 175.5549 3 I 4.5213 8.6693 116.4204 58.6571 41.3713 172.6672 4 S 5.1601 9.3183 120.4988 57.8930 64.3342 175.3833 5 V 4.7090 8.9196 116.9473 58.9662 36.2251 174.7414 6 L 3.9702 8.7719 125.0779 55.8656 42.0110 176.1330 7 K 4.4244 9.0803 127.3379 57.9184 34.3783 176.0735 8 S 5.0869 7.5150 113.6803 57.0727 67.8434 173.3780 9 K 4.7924 8.9619 124.0544 55.2271 35.8527 174.5718 10 I 4.7879 8.9476 129.0857 59.9805 39.0490 174.7241 11 S 4.6088 8.9554 123.9558 57.1318 65.5044 174.1082 12 Y 3.7047 8.6377 119.3437 59.1347 34.9225 169.7978 13 A 4.3094 8.1537 122.1964 52.1812 19.7476 177.6593 14 T 4.8889 8.4144 119.9263 61.8819 70.2947 175.0896 15 V 3.9643 8.8735 127.9365 63.5889 31.9247 176.2996 16 T 4.3663 8.9996 118.3623 62.5028 70.4926 174.6388 17 G 4.3887 7.8185 107.6196 45.3742 0.0000 172.2096 18 K 5.0725 8.2837 118.9612 55.6615 35.9119 175.4752 19 D 4.5365 8.9439 122.6840 52.3614 42.8924 175.1156 20 L 3.9510 8.5329 127.7376 56.9385 42.9900 177.3643 21 F 4.9782 7.4670 117.5858 56.2945 37.6647 175.1600 22 Y 4.4845 7.7990 123.7475 57.7770 39.7507 176.4904 23 V 4.1399 7.5479 127.3405 61.1204 33.2746 173.4800 *25 S 4.4868 7.6415 120.2665 59.1220 64.8081 173.7548 26 I 4.7566 7.5126 115.9634 61.3667 40.5473 175.7780 27 T 4.9777 8.9374 126.6581 62.2512 70.4785 173.8189 28 I 4.9194 8.2986 126.5580 59.2624 41.3784 174.0612 29 D 4.7606 8.8692 125.8016 54.4644 41.2153 178.1161 30 S 4.2672 8.6869 121.0935 60.9887 63.6135 175.6123 31 E 4.1407 8.8051 121.6699 59.3761 29.5106 179.2339 32 I 3.8166 7.7582 118.7956 61.4485 36.7914 178.0568 *34 K 4.1807 8.2602 122.8379 56.6448 33.6714 177.5127 35 Q 3.9256 8.0396 116.0787 58.8372 28.1612 177.5491 36 A 4.2788 8.1616 118.4257 51.5690 19.1054 176.8323 37 N 4.1599 7.6989 112.2379 54.1828 36.7802 174.1276 38 I 4.5287 7.0651 114.7709 59.6643 39.0547 175.9606 39 I 4.3927 8.6026 118.7086 58.5743 39.6176 174.7129 40 E 4.1172 8.4094 122.0195 57.8775 29.7793 176.7535 41 N 4.6017 9.4015 122.0655 53.3549 37.3545 174.2052 42 E 4.1913 7.9381 120.6573 55.9354 30.9524 175.7855 43 K 4.7968 8.6165 127.5955 56.5688 33.2114 176.2858 44 V 4.7642 8.9437 119.6386 59.6843 36.5304 174.0831 45 Q 4.8890 9.0767 125.0736 55.2641 30.8694 174.5163 46 V 4.8593 8.9790 126.1885 61.2243 34.3506 174.4883 47 V 4.9108 8.8871 120.9848 59.4657 35.6208 174.0467 48 N 5.1214 8.4955 122.9733 51.7734 40.3646 175.2968 49 L 3.8362 8.8573 127.4740 57.7923 41.8514 178.8519 50 N 4.4447 8.6166 116.4346 55.6073 38.5701 175.7480 51 N 4.7004 8.2354 111.2286 51.7433 38.5467 175.4589 52 G 3.8832 8.2633 107.0668 45.5412 0.0000 173.7865 53 E 4.1963 8.5651 120.4009 56.4238 30.7456 176.2155 54 R 5.1961 8.3985 121.4319 54.3959 33.5359 174.5293 55 L 4.7526 8.9770 122.7377 54.5970 44.5062 174.2805 56 E 5.2043 8.4460 118.5283 55.4328 32.7471 175.4258 57 T 4.6094 8.4903 116.3805 61.9019 71.5257 171.1128 58 Y 5.3710 8.1239 118.5203 55.2713 41.8928 174.4239 59 V 4.6315 8.3878 119.9082 61.7759 33.5542 174.5200 60 I 4.8747 8.4810 128.5584 59.2399 39.9358 175.1001 61 K 4.4343 9.1825 126.7571 56.4982 32.7726 177.3385 62 G 4.0975 8.9343 112.8276 44.4917 0.0000 172.6103 63 E 4.6040 8.5608 119.6736 55.1971 30.6159 175.4108 64 P 4.5782 0.0000 0.0000 64.3537 31.7340 176.0585 65 N 4.4303 9.2978 117.8495 53.8230 35.8936 175.3445 66 S 4.1762 7.9858 114.0512 59.0665 63.4228 175.1587 67 K 3.9108 8.8335 118.5668 57.1452 30.2787 175.3893 68 T 3.9471 7.6651 116.6843 64.4029 69.6293 173.5240 69 I 5.0260 8.9357 125.9506 59.7024 40.7715 173.6716 70 A 5.6732 9.0044 128.9701 48.8482 22.4824 174.3891 71 L 4.9074 8.4270 121.6335 53.2391 43.6879 175.5082 72 N 5.1202 8.8664 121.6302 52.2813 41.7817 176.8322 73 G 4.0986 8.7110 108.6172 45.2244 0.0000 172.8230 74 P 4.1533 0.0000 0.0000 65.4697 31.1720 178.0823 75 A 3.9756 8.0558 118.9960 54.9544 17.7022 179.1263 76 A 3.8653 8.0720 119.4254 55.3515 18.1471 179.5884 77 R 4.1117 7.9010 114.8288 57.9125 30.1178 177.5434 78 R 4.5331 7.6364 117.2598 55.5841 30.4017 174.9468 79 C 4.8617 7.4888 111.0668 57.1673 32.9749 172.6953 80 E 4.7594 9.1343 118.6149 53.9271 32.7835 175.8375 81 I 3.9615 8.1908 121.6362 63.4193 37.5015 176.8337 82 G 4.0102 8.9937 113.7208 45.1246 0.0000 173.6684 83 D 4.5458 7.8840 120.0823 54.5628 42.3532 175.3303 84 Q 4.9351 8.5797 120.6822 54.8319 30.7539 174.7074 85 L 5.1699 9.0613 123.6408 52.9590 45.6130 175.2874 86 F 5.6067 8.8689 120.1523 55.9760 42.0650 174.8178 87 I 4.9380 8.8633 123.2412 59.6550 40.2928 174.4917 88 I 4.9832 8.9626 128.3594 59.2598 40.5416 174.8124 89 S 5.0016 8.7496 120.5393 56.6999 65.9662 172.6038 90 Y 5.2707 8.6120 118.6016 56.6109 41.2592 174.7147 91 T 4.7581 9.0532 115.2459 60.5719 71.4373 172.3962 92 Q 5.0647 8.6966 125.8919 54.8806 30.0888 175.4092 93 V 4.5656 8.8371 116.7228 59.3670 36.9964 174.5343 94 D 4.7328 8.5700 122.4127 52.9899 41.0076 175.1015 95 P 4.5497 0.0000 0.0000 64.1192 31.4661 177.0786 96 T 4.1448 8.5551 109.7221 63.2676 69.3232 175.4085 97 R 4.2670 7.7191 121.2753 55.2270 30.9137 175.9532 98 E 4.2271 8.3130 118.9406 56.1177 30.1346 176.9900 99 N 4.5420 8.3144 117.7720 53.1946 39.2541 175.1714 100 I 3.9170 8.0906 122.1297 60.6120 37.6683 175.7102 101 K 4.2450 8.5168 127.7983 54.4026 32.1149 174.3709 102 P 4.5791 0.0000 0.0000 62.7496 32.4118 175.8086 103 K 4.2615 8.8642 124.2538 55.8735 33.2372 175.1838 104 L 5.0589 8.4759 127.6501 52.8952 44.0491 176.0306 105 V 4.2320 8.8678 124.2344 61.1734 34.0928 173.6705 106 D 5.1892 8.7259 128.5382 52.8752 41.9283 175.7112 107 L 4.4360 8.9045 126.1173 54.8084 42.5739 177.2089 108 K 4.0649 8.5198 125.9842 56.5877 32.0309 176.1819 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 L 8.17 4.69 0.00 1.55 1.68 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.67 4.52 1.87 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 1.23 1.45 0.91 0.00 0.00 4 S 9.32 5.16 0.00 3.66 3.74 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 5 V 8.92 4.71 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 0.76 0.00 0.00 0.97 0.00 0.00 6 L 8.77 3.97 0.00 1.62 1.56 0.65 0.46 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 7 K 9.08 4.42 0.00 1.84 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.38 7.81 8 S 7.51 5.09 0.00 3.68 3.71 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 9 K 8.96 4.79 0.00 1.62 1.44 0.00 1.42 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.05 1.23 7.81 10 I 8.95 4.79 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.91 0.00 0.00 11 S 8.96 4.61 0.00 3.58 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 12 Y 8.64 3.70 0.00 3.24 3.13 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 13 A 8.15 4.31 1.28 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 14 T 8.41 4.89 4.27 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 1.27 0.00 0.00 15 V 8.87 3.96 2.20 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 1.07 0.00 0.00 0.91 0.00 0.00 16 T 9.00 4.37 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 1.27 0.00 0.00 17 G 7.82 4.39 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 0.00 18 K 8.28 5.07 0.00 1.74 1.71 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.42 7.81 19 D 8.94 4.54 0.00 2.86 2.63 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 20 L 8.53 3.95 0.00 1.53 1.12 0.74 0.47 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 21 F 7.47 4.98 0.00 3.15 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 22 Y 7.80 4.48 0.00 3.03 2.91 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 23 V 7.55 4.14 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 0.80 0.00 0.00 0.93 0.00 0.00 *25 S 7.64 4.49 0.00 3.44 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 26 I 7.51 4.76 1.74 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 1.15 1.56 0.86 0.00 0.00 27 T 8.94 4.98 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 1.21 0.00 0.00 28 I 8.30 4.92 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 1.08 0.78 0.90 0.00 0.00 29 D 8.87 4.76 0.00 2.82 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 30 S 8.69 4.27 0.00 4.07 4.09 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 31 E 8.81 4.14 0.00 2.17 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 2.33 2.43 0.00 32 I 7.76 3.82 2.02 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 1.18 0.56 0.91 0.00 0.00 *34 K 8.26 4.18 0.00 1.91 2.02 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 35 Q 8.04 3.93 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 36 A 8.16 4.28 1.26 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 0.00 0.00 0.00 37 N 7.70 4.16 0.00 2.87 2.89 0.00 0.00 6.85 7.61 0.00 0.00 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 I 7.07 4.53 1.86 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 1.33 0.69 0.95 0.00 0.00 39 I 8.60 4.39 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 1.39 0.72 0.92 0.00 0.00 40 E 8.41 4.12 0.00 1.98 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 2.36 2.53 0.00 41 N 9.40 4.60 0.00 2.90 2.95 0.00 0.00 6.95 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 42 E 7.94 4.19 0.00 2.19 1.89 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 2.33 2.29 0.00 43 K 8.62 4.80 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.54 7.81 44 V 8.94 4.76 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 0.70 0.00 0.00 0.97 0.00 0.00 45 Q 9.08 4.89 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 46 V 8.98 4.86 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 0.89 0.00 0.00 0.90 0.00 0.00 47 V 8.89 4.91 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 0.70 0.00 0.00 1.00 0.00 0.00 48 N 8.50 5.12 0.00 2.69 2.69 0.00 0.00 7.11 6.79 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 49 L 8.86 3.84 0.00 1.48 1.59 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.62 4.44 0.00 2.85 2.84 0.00 0.00 6.84 7.61 0.00 0.00 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 N 8.24 4.70 0.00 2.75 2.86 0.00 0.00 6.05 7.00 0.00 0.00 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 G 8.26 3.88 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 0.00 0.00 0.00 53 E 8.57 4.20 0.00 1.92 1.85 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 2.40 2.56 0.00 54 R 8.40 5.20 0.00 1.63 1.79 0.00 3.19 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 55 L 8.98 4.75 0.00 1.70 1.69 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.45 5.20 0.00 1.85 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 2.25 2.29 0.00 57 T 8.49 4.61 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 1.08 0.00 0.00 58 Y 8.12 5.37 0.00 3.17 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 59 V 8.39 4.63 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 0.88 0.00 0.00 0.99 0.00 0.00 60 I 8.48 4.87 1.77 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.99 0.00 0.00 61 K 9.18 4.43 0.00 1.75 1.77 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.43 7.81 62 G 8.93 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 0.00 0.00 0.00 0.00 63 E 8.56 4.60 0.00 1.92 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 2.42 2.27 0.00 64 P 0.00 4.58 0.00 2.18 2.07 0.00 3.87 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 1.99 2.00 0.00 65 N 9.30 4.43 0.00 2.92 3.01 0.00 0.00 7.09 7.57 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 66 S 7.99 4.18 0.00 4.03 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 67 K 8.83 3.91 0.00 1.90 1.95 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 68 T 7.67 3.95 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 1.27 0.00 0.00 69 I 8.94 5.03 2.08 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 1.34 0.98 0.90 0.00 0.00 70 A 9.00 5.67 1.20 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 0.00 0.00 71 L 8.43 4.91 0.00 1.53 1.50 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.87 5.12 0.00 2.08 2.30 0.00 0.00 7.07 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 73 G 8.71 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 0.00 0.00 0.00 0.00 74 P 0.00 4.15 0.00 2.14 2.09 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 75 A 8.06 3.98 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 76 A 8.07 3.87 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 77 R 7.90 4.11 0.00 1.90 1.96 0.00 3.09 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 78 R 7.64 4.53 0.00 1.84 1.88 0.00 3.45 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 79 C 7.49 4.86 0.00 3.03 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 80 E 9.13 4.76 0.00 1.93 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 2.19 2.37 0.00 81 I 8.19 3.96 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 1.34 0.46 0.95 0.00 0.00 82 G 8.99 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 0.00 0.00 0.00 83 D 7.88 4.55 0.00 2.67 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 84 Q 8.58 4.94 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 85 L 9.06 5.17 0.00 1.53 1.51 0.89 0.78 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 86 F 8.87 5.61 0.00 2.75 2.63 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 87 I 8.86 4.94 1.85 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 1.22 0.69 0.88 0.00 0.00 88 I 8.96 4.98 1.80 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 1.15 0.80 0.29 0.00 0.00 89 S 8.75 5.00 0.00 3.95 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 90 Y 8.61 5.27 0.00 2.83 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 91 T 9.05 4.76 4.27 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 1.29 0.00 0.00 92 Q 8.70 5.06 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 93 V 8.84 4.57 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 0.74 0.00 0.00 0.95 0.00 0.00 94 D 8.57 4.73 0.00 2.68 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 95 P 0.00 4.55 0.00 2.22 2.15 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 96 T 8.56 4.14 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 1.21 0.00 0.00 97 R 7.72 4.27 0.00 2.00 1.91 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 98 E 8.31 4.23 0.00 1.96 1.89 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 2.31 2.28 0.00 99 N 8.31 4.54 0.00 2.71 2.75 0.00 0.00 6.97 7.45 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 0.00 100 I 8.09 3.92 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 1.31 0.76 0.97 0.00 0.00 101 K 8.52 4.24 0.00 1.70 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 102 P 0.00 4.58 0.00 2.06 2.12 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 103 K 8.86 4.26 0.00 1.88 1.69 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.43 7.81 104 L 8.48 5.06 0.00 1.49 1.48 0.87 0.80 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 0.00 105 V 8.87 4.23 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 0.94 0.00 0.00 0.93 0.00 0.00 106 D 8.73 5.19 0.00 2.71 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 0.00 107 L 8.90 4.44 0.00 1.90 1.73 0.95 1.11 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 0.00 108 K 8.52 4.06 0.00 1.34 1.56 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.14 7.81 * Residues marked with a * may have inaccurate shift predictions.