NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3721 0.0000 0.0000 62.4211 32.0825 175.2963 3 R 4.3051 7.7617 124.0529 53.9358 29.8294 175.1684 4 A 4.2764 8.4161 122.4060 51.1358 18.6730 179.1541 5 K 4.3309 8.1503 121.7345 57.2086 32.0520 176.7079 6 T 4.1287 8.3983 113.9931 65.6318 70.1893 175.1363 7 G 3.7169 7.8711 104.9589 47.3304 0.0000 173.9946 8 V 4.2230 10.0313 126.0955 60.9262 40.3000 177.2437 9 V 3.1175 6.7541 117.1651 64.9404 33.6644 177.5208 10 R 3.7614 7.9129 117.0282 59.8734 29.9799 177.6637 11 R 3.8482 8.2501 117.6684 60.0688 29.8778 178.0722 12 R 3.8470 8.0006 116.2686 59.8103 30.3422 178.6288 13 K 3.8230 8.5927 117.9480 60.1711 32.1199 179.0874 14 H 4.3605 8.8393 116.6208 58.7818 28.6591 177.9953 15 K 4.2192 8.3910 119.4500 59.8507 32.4152 178.2467 16 K 3.9726 8.4128 121.8800 59.8088 31.9544 178.6794 17 I 3.7834 8.0625 119.7701 64.1729 36.9303 178.3169 18 L 3.9663 8.2614 120.9584 58.3984 42.1400 178.2801 19 K 3.8709 8.2698 118.7644 58.7481 31.6191 179.3344 20 L 3.7727 7.4042 120.2399 57.7078 42.0986 179.2181 21 A 3.4460 7.8014 119.1112 55.0695 18.7036 177.8881 22 K 4.2897 6.9299 113.2004 55.5339 31.5705 176.3973 23 G 4.1290 8.8102 111.9603 45.5395 0.0000 175.6750 24 Y 4.9180 6.8682 117.9018 57.7117 37.2697 174.4972 25 W 5.1467 8.6687 133.0767 59.3282 32.7277 179.5446 26 G 3.6639 7.5346 103.7722 44.9321 0.0000 176.2825 27 L 4.1739 8.8256 129.4656 57.0256 41.9690 178.9178 28 R 3.9719 8.2020 117.9746 58.7679 30.6261 176.6907 29 S 5.1808 8.3120 109.7916 56.2797 62.5735 173.8713 30 K 4.5150 7.6462 114.8756 57.2026 38.6839 176.4461 31 S 4.5796 8.0275 117.1769 56.7408 63.4248 175.2614 *32 F 4.0382 8.6795 125.3944 58.2893 38.1952 172.6041 33 R 4.5124 8.5332 115.0559 58.1320 32.4256 177.4786 34 K 3.9985 9.5746 119.0011 59.4449 31.9669 178.0785 35 A 4.6189 8.2416 121.1496 55.2648 18.2674 179.2558 36 R 3.5608 7.7065 113.9357 59.5042 30.3078 177.7647 37 E 2.7961 8.6791 117.8413 59.9802 29.5897 179.4891 38 T 3.6561 8.0014 114.6420 66.9429 68.5648 175.9693 39 L 4.0452 8.4396 120.6210 58.3159 41.9334 179.4880 40 F 4.3345 8.1519 116.6758 61.3089 38.8114 177.1390 41 A 3.6890 7.8236 119.0490 55.7789 17.6525 179.3042 42 A 3.8844 8.3911 118.3530 55.0787 18.2714 179.8084 43 G 3.6925 8.6923 104.7782 48.4201 0.0000 175.1749 44 N 4.5530 8.4102 118.8403 56.5206 38.7079 177.3601 45 Y 3.7310 8.5683 110.5965 59.8303 38.1997 178.5393 46 A 4.0474 6.8787 124.0207 56.7111 19.0892 178.6651 47 Y 4.0588 7.7866 115.1900 61.5795 38.6932 177.9487 48 A 3.8424 9.9170 121.8709 55.8584 18.5352 179.4131 49 H 4.1452 9.1186 115.1014 58.6775 28.5565 177.8141 50 R 3.8175 8.2322 120.2521 59.1937 29.8259 178.3308 51 K 4.0802 7.2311 117.2823 59.4660 32.4396 178.4865 52 R 3.7884 8.8795 119.3130 56.2760 29.5257 180.8073 53 R 3.4541 7.0497 118.8053 59.4754 32.5624 177.2746 54 K 3.7326 8.1657 116.6607 60.0543 31.5027 178.3310 55 R 4.0152 8.4769 116.4106 58.3726 29.5313 178.1918 56 D 4.1201 7.6490 119.2794 57.2011 41.5093 177.8186 57 F 3.3561 8.3292 118.6829 59.9502 38.4816 177.7516 58 R 4.3202 7.8202 118.0680 60.5015 29.7384 178.2766 59 R 4.0764 7.8907 117.7018 57.6809 29.7430 179.5439 60 L 3.5620 7.6540 121.3832 57.8689 42.1438 178.8730 61 W 4.4399 9.0702 120.3822 57.3995 28.6811 179.4147 62 I 3.5727 7.4978 120.7381 64.6976 37.0349 177.2179 63 V 3.5228 7.8838 119.4984 65.6407 31.0807 178.4286 64 R 4.0305 8.2273 117.2227 60.0467 30.0604 178.0116 65 I 3.5315 8.2135 118.1603 64.5926 36.7741 177.0949 66 N 3.9913 8.6446 118.5483 57.4069 39.0186 177.1336 67 A 4.0684 8.9153 121.7937 53.9291 18.5674 177.7982 68 A 4.5171 7.4872 117.5896 54.0569 20.4912 178.3767 69 C 3.6554 9.1202 113.8437 61.3352 28.8966 176.3310 70 R 4.7811 7.7972 122.3626 58.9212 29.6198 177.8988 71 Q 3.7606 7.8921 117.9429 58.9996 29.0008 177.5287 72 H 4.9149 8.5470 113.5005 55.6141 29.4669 174.0627 73 G 3.4076 7.8566 111.8130 44.3537 0.0000 173.1841 74 L 4.4013 7.3879 118.9053 53.2724 42.6742 173.6919 75 N 5.0221 8.2833 117.8070 52.7586 39.5151 174.7778 76 Y 4.2272 9.7598 123.2823 61.1532 38.7790 178.7759 77 S 4.0627 8.5165 114.5015 62.6326 62.7177 175.8604 78 T 4.1388 7.9421 119.1023 65.1457 67.5585 176.1210 79 F 3.9196 8.6605 123.6777 60.9129 39.4645 177.3721 80 I 3.6994 7.6505 118.5832 63.5280 37.8201 177.0135 81 H 4.1587 8.1175 119.4161 59.4902 29.6965 177.2618 82 G 3.6102 8.4997 107.6408 48.0815 0.0000 174.3168 83 L 3.8439 7.4088 122.9888 55.7247 41.4516 178.4576 84 K 3.8061 7.3519 122.0762 59.6505 32.8263 177.8025 85 K 3.8991 8.0871 118.8661 59.7755 32.1967 178.4377 86 A 4.2807 7.6680 119.0424 52.2068 18.3528 177.7943 87 G 3.9702 8.7502 106.5680 46.4710 0.0000 175.2319 88 I 4.4678 7.8855 121.7531 59.2009 37.5752 175.5819 89 E 4.0251 8.0271 119.8449 58.6942 30.3810 177.5368 90 V 3.7514 7.2483 117.7900 64.4948 32.7599 172.7464 91 D 4.2851 9.2133 116.2002 53.7754 41.1263 170.6098 92 R 3.6168 7.5250 121.5690 55.5857 30.0173 177.2474 93 K 3.9492 8.7587 122.5722 58.4959 32.7540 177.1465 94 N 3.1400 8.3046 118.5852 54.9737 39.0195 176.2088 95 L 4.8030 7.2834 117.0147 55.4641 41.5639 178.9621 96 A 4.6659 8.0279 124.0747 54.2788 18.3089 179.4603 97 D 4.4210 8.2042 118.4034 56.0908 39.1818 179.1021 98 L 3.8671 7.6027 121.0983 57.9596 41.4910 178.8722 99 A 3.4267 7.8708 119.1523 54.0207 18.0859 178.1156 100 V 3.8699 7.8868 115.9441 63.0832 32.7534 176.0365 101 R 4.4219 8.3014 119.6436 55.4899 31.1380 176.3626 102 E 3.8122 8.7185 115.3083 56.4853 27.9449 173.6814 103 P 4.4845 0.0000 0.0000 65.6738 31.3932 177.9403 104 Q 4.1860 8.3190 118.3368 59.5334 28.4816 178.9812 105 V 3.6950 7.6967 118.4599 66.0160 31.6547 177.2435 106 F 4.2920 8.5720 118.8981 61.8045 39.0846 176.9974 107 A 4.0307 9.0891 119.9412 55.4919 18.3240 179.5074 108 E 3.9054 7.9922 116.3395 59.4917 29.4956 179.3709 109 L 3.9403 8.4421 119.3559 57.9454 41.5081 179.6399 110 V 3.7352 8.3346 118.0712 67.0225 30.8336 177.0627 111 E 3.8639 8.3877 117.4713 59.3797 28.9692 179.3375 112 R 4.2574 9.0305 122.3010 60.0568 30.7357 178.0600 113 A 4.0848 8.2837 121.4460 54.0672 18.6782 179.4657 114 K 3.9028 10.3470 116.0544 59.3392 32.4828 179.3099 115 A 3.9610 9.0897 122.0366 54.8698 18.4748 178.7819 116 A 4.3108 7.6739 118.4660 54.0133 18.6330 177.4478 117 Q 4.2606 7.2968 114.8589 54.7051 30.7977 175.5155 118 G 3.7407 8.3602 110.8529 46.0613 0.0000 171.6158 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 P 0.00 4.37 0.00 2.05 2.09 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 3 R 7.76 4.31 0.00 1.78 1.80 0.00 3.28 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 1.48 1.75 0.00 4 A 8.42 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 5 K 8.15 4.33 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 6 T 8.40 4.13 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 7 G 7.87 3.72 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 0.00 0.00 0.00 8 V 10.03 4.22 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 0.90 0.00 0.00 0.93 0.00 0.00 9 V 6.75 3.12 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 0.94 0.00 0.00 0.95 0.00 0.00 10 R 7.91 3.76 0.00 1.89 1.90 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 11 R 8.25 3.85 0.00 1.92 2.01 0.00 3.18 0.00 0.00 3.17 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 12 R 8.00 3.85 0.00 2.03 1.99 0.00 3.21 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 13 K 8.59 3.82 0.00 1.93 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.69 7.81 14 H 8.84 4.36 0.00 3.40 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.39 4.22 0.00 1.85 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.57 7.81 16 K 8.41 3.97 0.00 2.01 2.05 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 17 I 8.06 3.78 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.25 0.97 0.00 0.00 18 L 8.26 3.97 0.00 1.73 1.85 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.27 3.87 0.00 1.92 1.73 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.87 7.81 20 L 7.40 3.77 0.00 1.79 1.73 0.93 0.80 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 21 A 7.80 3.45 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 22 K 6.93 4.29 0.00 1.79 1.64 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.53 7.81 23 G 8.81 4.13 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 0.00 0.00 0.00 24 Y 6.87 4.92 0.00 3.06 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 25 W 8.67 5.15 0.00 3.23 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 26 G 7.53 3.66 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 0.00 0.00 0.00 27 L 8.83 4.17 0.00 1.67 1.70 0.88 0.79 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 28 R 8.20 3.97 0.00 2.09 2.14 0.00 3.38 0.00 0.00 3.54 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 29 S 8.31 5.18 0.00 3.79 3.85 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 30 K 7.65 4.52 0.00 1.65 1.77 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 31 S 8.03 4.58 0.00 3.83 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 *32 F 8.68 4.04 0.00 2.34 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 0.00 0.00 0.00 0.00 33 R 8.53 4.51 0.00 1.85 2.10 0.00 2.78 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 34 K 9.57 4.00 0.00 1.84 1.99 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.72 7.81 35 A 8.24 4.62 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 36 R 7.71 3.56 0.00 1.84 1.80 0.00 3.33 0.00 0.00 3.50 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 37 E 8.68 2.80 0.00 1.99 1.77 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 2.14 2.18 0.00 38 T 8.00 3.66 4.46 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 0.95 0.00 0.00 39 L 8.44 4.05 0.00 1.93 1.94 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.15 4.33 0.00 3.09 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 41 A 7.82 3.69 1.04 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 0.00 0.00 42 A 8.39 3.88 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 43 G 8.69 3.69 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 0.00 0.00 0.00 44 N 8.41 4.55 0.00 2.95 3.09 0.00 0.00 7.15 7.54 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 45 Y 8.57 3.73 0.00 3.04 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 46 A 6.88 4.05 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 47 Y 7.79 4.06 0.00 2.95 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 48 A 9.92 3.84 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.12 4.15 0.00 3.36 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.23 3.82 0.00 1.91 1.84 0.00 3.29 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 51 K 7.23 4.08 0.00 1.74 1.72 0.00 1.13 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.27 7.81 52 R 8.88 3.79 0.00 1.84 1.69 0.00 3.19 0.00 0.00 3.00 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 53 R 7.05 3.45 0.00 1.85 1.86 0.00 3.00 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.64 0.00 54 K 8.17 3.73 0.00 1.80 1.76 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.61 7.81 55 R 8.48 4.02 0.00 2.02 2.17 0.00 2.73 0.00 0.00 3.06 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 56 D 7.65 4.12 0.00 2.65 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 57 F 8.33 3.36 0.00 2.52 1.45 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 0.00 58 R 7.82 4.32 0.00 1.95 2.15 0.00 3.16 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 59 R 7.89 4.08 0.00 1.76 1.72 0.00 3.07 0.00 0.00 3.08 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 60 L 7.65 3.56 0.00 0.94 1.14 -0.13 0.78 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 61 W 9.07 4.44 0.00 3.62 3.17 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 62 I 7.50 3.57 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.23 0.00 0.00 63 V 7.88 3.52 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 0.99 0.00 0.00 0.86 0.00 0.00 64 R 8.23 4.03 0.00 1.92 1.91 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 65 I 8.21 3.53 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.81 1.17 0.00 0.00 66 N 8.64 3.99 0.00 3.03 2.86 0.00 0.00 7.30 7.41 0.00 0.00 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 A 8.92 4.07 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 68 A 7.49 4.52 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 69 C 9.12 3.66 0.00 1.89 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 70 R 7.80 4.78 0.00 2.04 2.02 0.00 3.19 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 71 Q 7.89 3.76 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 72 H 8.55 4.91 0.00 3.21 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.86 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 4.40 0.00 1.87 1.75 1.14 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.28 5.02 0.00 3.04 3.05 0.00 0.00 5.57 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 76 Y 9.76 4.23 0.00 3.29 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 77 S 8.52 4.06 0.00 4.14 4.31 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 78 T 7.94 4.14 4.53 0.00 0.00 0.00 0.00 0.00 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 79 F 8.66 3.92 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 80 I 7.65 3.70 1.49 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.73 0.00 0.00 81 H 8.12 4.16 0.00 3.25 3.42 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.50 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.41 3.84 0.00 1.75 1.26 0.25 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.35 3.81 0.00 1.70 1.92 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.51 7.81 85 K 8.09 3.90 0.00 1.61 1.86 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.15 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 86 A 7.67 4.28 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 87 G 8.75 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 88 I 7.89 4.47 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.31 0.81 0.00 0.00 89 E 8.03 4.03 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 90 V 7.25 3.75 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 0.77 0.00 0.00 0.87 0.00 0.00 91 D 9.21 4.29 0.00 2.90 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 92 R 7.53 3.62 0.00 2.10 2.05 0.00 2.90 0.00 0.00 3.03 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 93 K 8.76 3.95 0.00 1.90 2.20 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.80 1.87 7.81 94 N 8.30 3.14 0.00 1.44 1.73 0.00 0.00 7.14 5.12 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 95 L 7.28 4.80 0.00 1.94 1.61 0.86 0.50 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 96 A 8.03 4.67 1.49 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 0.00 0.00 0.00 97 D 8.20 4.42 0.00 2.82 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 98 L 7.60 3.87 0.00 1.67 1.79 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.87 3.43 -0.46 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 0.00 0.00 100 V 7.89 3.87 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 0.77 0.00 0.00 0.84 0.00 0.00 101 R 8.30 4.42 0.00 1.76 1.82 0.00 3.52 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 102 E 8.72 3.81 0.00 2.23 2.19 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 2.29 2.29 0.00 103 P 0.00 4.48 0.00 2.41 2.38 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 104 Q 8.32 4.19 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 105 V 7.70 3.69 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 1.05 0.00 0.00 1.02 0.00 0.00 106 F 8.57 4.29 0.00 3.05 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 0.00 107 A 9.09 4.03 1.46 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 0.00 0.00 108 E 7.99 3.91 0.00 2.25 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 2.50 0.00 109 L 8.44 3.94 0.00 1.99 1.83 1.20 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.33 3.74 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 1.05 0.00 0.00 0.68 0.00 0.00 111 E 8.39 3.86 0.00 2.14 1.87 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 2.49 2.50 0.00 112 R 9.03 4.26 0.00 1.79 1.98 0.00 3.29 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 113 A 8.28 4.08 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 114 K 10.35 3.90 0.00 1.99 2.10 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.44 7.81 115 A 9.09 3.96 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 0.00 116 A 7.67 4.31 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 0.00 117 Q 7.30 4.26 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 118 G 8.36 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.