NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3660 8.3144 120.1391 55.9732 33.7481 174.6823 3 K 4.0663 8.9023 125.1487 55.7505 33.2750 173.8851 4 I 4.9323 8.5278 128.0052 59.4980 40.3316 174.2092 5 E 4.7809 9.2166 127.0114 54.6301 33.3710 173.7261 6 I 5.0128 8.8474 127.8645 59.6552 40.4025 174.5718 7 F 4.9017 9.5638 126.9040 55.8751 39.8827 175.4261 8 D 5.0951 9.3440 124.8871 53.2192 42.3863 174.5741 9 P 4.8456 0.0000 0.0000 62.2250 32.3721 175.8599 10 A 4.3488 8.2920 122.2335 52.6312 18.7785 177.8983 *12 C 4.4418 8.6133 115.6265 59.3780 30.3902 172.6586 13 C 4.8651 7.3958 112.6849 53.8357 43.5651 173.0823 14 P 4.1101 0.0000 0.0000 65.1179 30.9442 177.6850 15 T 4.1993 7.8781 105.7599 60.7857 69.6322 175.4912 16 G 3.9469 7.9365 109.8666 46.2059 0.0000 173.7793 17 L 4.6888 7.4897 117.9838 54.7513 42.1802 178.1494 18 C 4.3458 8.3338 116.7800 60.0301 40.6025 175.4686 19 G 3.8467 7.6441 106.5650 45.0512 0.0000 172.9583 20 T 3.9052 8.4224 108.4267 63.7825 68.9788 174.0865 21 N 4.6791 7.9296 119.4830 51.5194 38.9089 174.3193 22 I 4.0301 8.1347 125.2561 60.0680 38.1010 175.3342 23 N 4.5585 8.6609 124.7787 52.3390 39.0016 173.6511 24 P 4.3222 0.0000 0.0000 65.6762 31.9866 177.8207 25 E 4.1499 9.0232 118.3982 59.3915 29.6537 179.2480 26 L 3.7487 7.9830 116.6033 55.2984 41.2719 178.9657 *28 R 4.1527 8.1216 119.8008 56.4650 31.7144 177.4539 29 I 3.6634 7.6413 117.0440 63.7171 37.7369 177.6588 30 A 3.8916 8.0324 121.9503 55.0629 18.2052 179.7392 31 V 3.4697 7.6563 116.2216 66.0678 31.6414 178.0606 32 V 3.5606 7.8232 117.9300 66.3427 31.2921 178.1580 33 I 3.7466 7.9621 119.4625 64.2046 37.0029 178.0870 34 E 3.9319 8.4598 120.5851 59.1575 29.5057 179.1125 35 S 4.1398 8.0422 115.4681 61.3103 62.8396 176.4260 36 L 3.9436 8.0389 121.7516 57.8842 41.4423 179.2314 37 K 4.1065 8.0813 120.8012 59.0959 31.7510 178.6905 38 K 4.1350 7.7087 116.9071 58.9296 32.0828 178.5152 39 Q 4.3319 7.7073 115.8554 55.9010 28.6221 176.6122 40 G 3.8651 7.8665 108.2328 45.7636 0.0000 173.2301 41 I 4.3242 7.9668 120.9984 59.1330 38.7993 174.7801 42 I 4.2952 8.3330 126.5902 59.6753 37.8641 175.4324 43 V 4.3005 8.0996 126.8049 61.3468 32.1836 175.3743 44 T 4.1730 8.3655 126.1667 63.3851 69.3809 173.9770 45 R 5.0285 8.4007 121.8962 54.7158 32.6548 174.4104 46 H 4.9961 9.0390 117.4025 54.0151 32.8593 172.1348 47 N 5.2031 8.6190 119.8617 51.6790 40.4942 174.7376 48 L 3.3082 8.2721 129.5715 58.2076 42.6251 179.1775 49 R 3.8550 8.5111 118.5873 58.8617 30.0382 176.7579 50 D 4.7878 7.4215 112.2789 54.5081 43.0684 176.3234 51 E 4.9720 8.1955 118.2416 54.0326 29.9533 175.0508 52 P 4.4019 0.0000 0.0000 65.8366 31.8525 178.5778 53 Q 4.1220 8.1537 117.4520 59.0316 28.6718 178.6282 54 V 3.7701 7.5862 120.9650 64.0710 31.1880 177.7421 55 Y 4.0922 8.1885 116.0197 59.8745 37.7623 177.4449 56 V 4.1718 7.6379 118.5177 65.3781 32.3340 177.5856 57 S 4.4760 8.4065 114.3762 60.0567 62.9642 173.3015 58 N 4.5125 8.0545 121.9800 52.8322 38.7298 175.4227 59 K 4.0235 8.7018 126.7017 59.7742 32.2478 179.4169 60 T 3.8221 7.7966 115.5245 66.5912 68.4130 176.7841 61 V 3.3471 8.1081 120.4253 65.7139 31.4678 177.3732 62 N 4.3463 8.4530 117.2374 57.1181 38.6549 176.5804 63 D 4.3829 8.5766 120.5019 57.2631 40.8246 178.5803 64 F 4.0976 8.1778 120.8528 61.2061 39.3782 177.2810 65 L 4.0667 8.3328 118.8677 57.8677 41.2014 179.3714 66 Q 4.0312 8.0308 117.1919 58.6630 28.6536 178.3939 67 K 4.0066 7.4428 119.6775 58.3725 32.4946 177.4937 68 H 4.7406 7.9491 113.1827 53.9465 30.9164 174.9255 69 G 3.8631 8.6497 110.3077 44.2107 0.0000 174.1398 70 A 4.2905 8.3086 119.9668 54.5483 18.4539 179.3728 71 D 4.3630 8.2715 114.8598 57.3859 40.9074 177.8310 72 A 4.2504 8.2473 120.8819 53.9741 18.7187 177.5600 73 L 4.6633 7.6720 116.2500 53.5386 42.8107 175.4310 74 P 4.7714 0.0000 0.0000 62.9323 33.1803 174.7801 75 I 4.7925 8.6206 122.7054 60.0748 39.6628 174.5538 76 T 5.0486 8.8631 124.1307 61.9228 70.6194 173.5695 77 L 4.7990 9.1167 127.4680 53.6713 43.7938 176.0762 78 V 4.2409 8.3234 122.8074 61.1289 34.2614 175.3285 79 D 4.1677 9.9098 130.7042 55.4108 38.8189 175.0873 80 G 3.9534 8.3276 105.8728 45.0659 0.0000 173.1442 81 E 4.6301 7.3159 117.2315 53.7375 32.2742 175.4463 82 I 3.9280 8.0736 121.0172 61.5764 37.4677 175.5664 83 A 4.6193 8.7006 127.4048 52.5218 21.3129 176.8007 84 V 4.5487 7.4591 113.3843 61.3976 35.4515 174.2336 85 S 4.9022 8.2872 120.1261 57.9717 64.8425 173.3600 86 Q 4.3093 9.2861 125.9589 55.7824 28.2170 173.5255 87 T 4.6184 7.2109 104.6819 59.3932 71.9342 172.8888 88 Y 4.3122 8.2177 119.3797 56.6074 38.7790 174.0565 89 P 4.5278 0.0000 0.0000 63.2379 32.0141 176.6039 90 T 4.1807 8.4392 111.8617 61.5103 69.4816 174.9484 91 T 3.9089 8.3321 119.3247 66.5810 69.0741 175.8864 92 K 3.8926 8.1696 122.1864 59.7242 32.3043 179.3836 93 Q 3.0727 7.7488 114.6168 56.5337 28.2736 178.6123 *95 S 4.5874 8.0829 115.7680 58.8330 64.7833 176.2310 96 E 4.0189 7.7802 118.5935 59.0832 29.3385 178.5368 97 W 4.6302 8.0887 118.4090 59.3037 29.2998 177.4206 98 T 4.2074 8.1091 107.0219 61.4892 69.1174 175.5739 99 G 3.8726 8.5578 109.5234 46.0307 0.0000 173.0001 100 V 4.1693 7.4576 118.7717 60.6328 33.0794 174.8496 101 N 4.7961 8.4683 125.2668 52.4109 38.0565 174.7955 102 L 4.1996 8.1920 124.5480 54.9015 41.7243 177.2452 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 K 8.31 4.37 0.00 1.90 1.69 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.46 7.81 3 K 8.90 4.07 0.00 1.81 1.63 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 I 8.53 4.93 1.92 0.00 0.00 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 1.18 0.97 1.00 0.00 0.00 5 E 9.22 4.78 0.00 1.97 1.79 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 1.96 2.21 0.00 6 I 8.85 5.01 1.91 0.00 0.00 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 1.37 0.56 1.15 0.00 0.00 7 F 9.56 4.90 0.00 2.90 2.90 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 8 D 9.34 5.10 0.00 2.90 2.76 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 0.00 0.00 0.00 9 P 0.00 4.85 0.00 1.99 2.07 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 10 A 8.29 4.35 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 *12 C 8.61 4.44 0.00 3.01 3.04 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 13 C 7.40 4.87 0.00 3.05 3.14 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 14 P 0.00 4.11 0.00 2.05 2.15 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 15 T 7.88 4.20 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 1.18 0.00 0.00 16 G 7.94 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 0.00 0.00 0.00 17 L 7.49 4.69 0.00 1.66 1.66 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.33 4.35 0.00 2.97 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 19 G 7.64 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 0.00 0.00 0.00 20 T 8.42 3.91 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 21 N 7.93 4.68 0.00 2.73 2.82 0.00 0.00 6.91 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 22 I 8.13 4.03 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 1.29 0.36 0.90 0.00 0.00 23 N 8.66 4.56 0.00 2.75 2.73 0.00 0.00 7.19 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 24 P 0.00 4.32 0.00 2.09 2.11 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 25 E 9.02 4.15 0.00 2.25 2.16 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 2.38 2.51 0.00 26 L 7.98 3.75 0.00 1.85 1.59 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *28 R 8.12 4.15 0.00 1.96 2.08 0.00 3.17 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 29 I 7.64 3.66 1.68 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 1.39 1.21 0.33 0.00 0.00 30 A 8.03 3.89 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 31 V 7.66 3.47 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 1.01 0.00 0.00 0.91 0.00 0.00 32 V 7.82 3.56 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 0.98 0.00 0.00 0.91 0.00 0.00 33 I 7.96 3.75 1.96 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 1.42 0.62 0.89 0.00 0.00 34 E 8.46 3.93 0.00 2.05 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 0.00 2.29 2.38 0.00 35 S 8.04 4.14 0.00 4.05 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 36 L 8.04 3.94 0.00 1.82 1.82 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.08 4.11 0.00 1.94 2.00 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.36 7.81 38 K 7.71 4.14 0.00 2.02 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 39 Q 7.71 4.33 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.18 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 40 G 7.87 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 41 I 7.97 4.32 1.99 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 1.31 1.30 0.93 0.00 0.00 42 I 8.33 4.30 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 1.29 0.82 0.89 0.00 0.00 43 V 8.10 4.30 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 0.88 0.00 0.00 0.97 0.00 0.00 44 T 8.37 4.17 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 0.95 0.00 0.00 45 R 8.40 5.03 0.00 1.83 1.81 0.00 2.94 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 46 H 9.04 5.00 0.00 2.75 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.62 5.20 0.00 2.80 2.71 0.00 0.00 6.70 6.66 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 48 L 8.27 3.31 0.00 1.15 1.54 0.06 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.51 3.86 0.00 1.80 2.05 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 50 D 7.42 4.79 0.00 2.80 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 51 E 8.20 4.97 0.00 2.27 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 2.26 2.26 0.00 52 P 0.00 4.40 0.00 2.28 2.28 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 53 Q 8.15 4.12 0.00 2.31 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 54 V 7.59 3.77 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 0.79 0.00 0.00 0.84 0.00 0.00 55 Y 8.19 4.09 0.00 3.18 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 56 V 7.64 4.17 2.27 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 0.93 0.00 0.00 0.99 0.00 0.00 57 S 8.41 4.48 0.00 4.09 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 58 N 8.05 4.51 0.00 2.80 2.66 0.00 0.00 7.14 6.59 0.00 0.00 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 K 8.70 4.02 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.58 7.81 60 T 7.80 3.82 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 1.08 0.00 0.00 61 V 8.11 3.35 1.65 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 0.65 0.00 0.00 -0.31 0.00 0.00 62 N 8.45 4.35 0.00 3.14 2.95 0.00 0.00 7.27 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 63 D 8.58 4.38 0.00 2.73 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 64 F 8.18 4.10 0.00 3.27 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 65 L 8.33 4.07 0.00 1.94 1.76 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.03 4.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 67 K 7.44 4.01 0.00 1.49 1.56 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.70 1.20 7.81 68 H 7.95 4.74 0.00 2.99 3.14 0.00 5.78 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 69 G 8.65 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 0.00 0.00 0.00 70 A 8.31 4.29 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 71 D 8.27 4.36 0.00 2.91 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 72 A 8.25 4.25 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 73 L 7.67 4.66 0.00 1.72 1.79 1.04 1.25 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 74 P 0.00 4.77 0.00 1.89 1.98 0.00 3.50 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.44 0.00 75 I 8.62 4.79 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.60 0.00 0.00 76 T 8.86 5.05 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 1.26 0.00 0.00 77 L 9.12 4.80 0.00 1.57 1.50 0.92 0.34 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 78 V 8.32 4.24 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 0.25 0.00 0.00 -0.61 0.00 0.00 79 D 9.91 4.17 0.00 2.63 2.60 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 80 G 8.33 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 0.00 0.00 0.00 81 E 7.32 4.63 0.00 1.99 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 2.19 2.12 0.00 82 I 8.07 3.93 1.55 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.21 0.41 0.00 0.00 83 A 8.70 4.62 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 84 V 7.46 4.55 2.16 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 1.12 0.00 0.00 1.20 0.00 0.00 85 S 8.29 4.90 0.00 3.79 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 86 Q 9.29 4.31 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 87 T 7.21 4.62 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 1.21 0.00 0.00 88 Y 8.22 4.31 0.00 3.10 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 89 P 0.00 4.53 0.00 2.19 2.23 0.00 3.99 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 90 T 8.44 4.18 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 1.19 0.00 0.00 91 T 8.33 3.91 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 1.17 0.00 0.00 92 K 8.17 3.89 0.00 1.70 1.68 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 93 Q 7.75 3.07 0.00 1.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.16 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 *95 S 8.08 4.59 0.00 3.98 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 96 E 7.78 4.02 0.00 1.77 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 2.27 2.34 0.00 97 W 8.09 4.63 0.00 3.43 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 T 8.11 4.21 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 1.30 0.00 0.00 99 G 8.56 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 0.00 100 V 7.46 4.17 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 0.94 0.00 0.00 0.94 0.00 0.00 101 N 8.47 4.80 0.00 2.69 2.74 0.00 0.00 7.09 7.78 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 0.00 102 L 8.19 4.20 0.00 1.68 1.54 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.