NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3337 8.1233 123.5811 52.3232 20.7518 179.0036 2 R 4.1039 7.9446 112.2707 57.2007 30.7668 175.5811 3 I 3.1447 8.0351 122.7360 61.7583 35.8642 173.0456 4 A 4.5014 8.2388 124.0276 52.9556 19.1103 178.8857 5 G 3.9875 9.2160 105.4301 46.9793 0.0000 174.3345 6 I 4.2794 7.5917 110.0817 60.4410 40.1998 170.0208 7 N 4.1162 8.8327 128.2245 52.8225 38.7008 173.7092 8 I 5.2643 8.1597 116.2312 57.3858 36.8016 173.0013 9 P 4.4489 0.0000 0.0000 63.7190 29.2352 176.0819 10 D 4.8216 7.9414 126.5558 53.6322 44.0761 175.8583 11 H 4.3449 8.1896 114.7439 57.5206 26.3200 173.7815 12 K 4.8039 7.1877 121.3410 55.1324 35.2642 175.6723 13 H 4.7625 8.7971 116.4840 54.6415 29.5304 174.7352 14 A 4.0402 7.9226 123.3261 54.8591 18.7123 178.8735 15 V 3.8876 7.4892 113.9610 64.1621 32.4443 178.5463 16 I 3.6497 7.8840 118.6517 63.0338 38.1054 175.9524 17 A 4.5160 7.7725 121.4983 52.3947 20.2208 178.1514 18 L 4.0017 7.3652 117.4762 57.6224 42.2575 178.0881 19 T 4.2531 7.7512 106.9483 62.2308 68.5695 174.8972 20 S 4.3271 7.4881 115.5462 58.7825 62.5849 173.9904 21 I 3.7266 6.8469 119.7705 62.5492 37.8434 176.4057 22 Y 4.7488 8.3481 119.6240 54.5081 35.9733 177.0589 23 G 5.3866 7.0965 123.2867 45.9476 0.0000 170.3317 24 V 4.3842 7.3090 111.2966 59.6194 35.1679 175.0654 25 G 4.3031 8.2208 111.2269 45.3782 0.0000 174.5255 26 K 4.3377 8.6564 123.0393 56.8728 32.9206 176.7302 27 T 4.3714 7.6409 115.7854 65.2659 69.9974 176.8730 28 R 3.9967 7.9680 119.4363 58.3703 30.3267 176.5357 29 S 4.8189 7.1323 109.9221 57.7989 63.3487 174.4553 30 K 4.5110 7.9880 118.3053 56.7839 34.2714 175.7517 31 A 4.6161 7.8024 119.6870 53.5024 21.4485 178.3161 32 I 3.7093 7.8763 115.9539 64.2259 38.3503 177.9694 33 L 3.9571 7.9635 119.5290 57.6713 41.6234 178.5251 34 A 4.2617 7.6610 117.1966 53.2511 17.8368 177.6207 35 A 4.6736 8.0571 118.6232 52.3665 20.1388 177.0649 36 A 4.5413 8.3130 119.8811 52.2998 20.4763 179.3661 37 G 3.9981 8.2290 102.9742 45.7776 0.0000 173.7840 38 I 4.1689 7.3045 120.5429 59.2574 38.2004 175.9942 39 A 4.2547 8.4552 128.4511 52.6455 18.7038 176.7356 40 E 4.7372 8.6423 115.7774 56.4851 30.3389 176.5567 41 D 5.0909 7.8725 116.9217 53.4468 41.6523 174.8307 42 V 4.3997 7.2576 111.3599 60.3492 36.2248 173.9870 43 K 4.8712 8.4078 118.0662 53.9725 34.5003 177.3539 44 I 4.2955 8.0531 115.9724 61.1537 37.4142 176.7664 45 S 4.5341 8.1550 114.7079 59.5158 64.8665 174.4044 46 E 3.9914 8.1510 120.1805 58.8564 29.5586 176.6535 47 L 4.4784 7.5067 117.2715 55.3623 43.8676 176.3629 48 S 4.4215 7.6753 121.2557 59.2948 69.6485 176.6538 49 E 4.0430 9.0934 131.9864 59.7975 29.5094 178.4058 50 G 3.9544 7.9179 103.4967 46.0277 0.0000 173.4303 51 Q 4.2988 7.9258 117.7433 56.7278 31.7217 176.2459 52 I 4.0290 7.9965 119.4278 61.6905 38.8659 176.0895 53 D 4.7691 7.5982 118.7479 55.9415 42.6532 177.4972 54 T 4.2440 7.9590 105.8597 62.4705 69.1006 174.3761 55 L 4.4495 7.8326 122.5245 56.9691 42.8623 178.7521 56 R 4.0500 7.9459 113.9786 57.8953 30.0662 177.3273 57 D 4.4184 7.9287 118.2997 57.1096 41.5568 177.7482 58 E 4.4227 7.7965 122.0553 55.6771 27.3848 175.2856 59 V 4.4546 7.6658 118.8204 62.5003 36.6748 177.3782 60 A 4.3383 8.0467 119.1684 52.4902 17.4877 178.1130 61 K 3.7004 7.1007 115.4913 59.8358 32.3899 179.3905 62 F 4.0276 8.2908 121.4671 58.2176 39.8186 175.9109 63 V 4.2328 8.2724 121.0600 61.3408 30.6484 174.8054 64 V 4.4582 7.8764 118.3060 59.8808 35.5450 179.4107 65 E 3.8933 8.8267 124.5550 57.9035 28.1034 177.1752 66 G 3.6489 9.3098 116.1308 49.1603 0.0000 174.1359 67 D 4.3823 8.1070 120.6431 56.2666 40.9748 177.8148 68 L 3.9814 8.1251 119.3944 58.1921 41.5273 179.6694 69 R 3.8379 7.5810 117.1365 59.6551 29.9204 178.6386 70 R 3.9214 8.0702 118.6089 58.8048 29.6163 177.9590 71 E 3.8853 8.9465 119.1490 59.7682 29.9262 179.7160 72 I 3.7451 7.4057 119.2565 64.3676 37.1209 178.4064 73 S 4.1843 8.6835 114.2734 61.0545 61.9901 175.7303 74 M 4.1752 9.5274 120.1749 57.4860 32.2853 177.1794 75 S 4.7042 7.4953 112.4583 58.0362 63.8232 175.8833 76 I 3.7178 7.5197 124.4634 64.3578 37.0785 178.1951 77 K 3.9680 7.8557 119.5543 58.7544 31.7278 178.8876 78 R 3.9436 7.8391 118.7080 59.4156 30.1337 177.4289 79 L 4.1649 7.5363 115.1985 56.7637 40.6285 177.2141 80 M 4.1103 7.5446 120.5847 57.2938 32.9341 174.6753 81 D 4.9303 8.5971 123.0527 53.7105 37.7863 175.2470 82 L 4.5701 7.7943 123.1497 56.1464 46.0907 177.1709 83 G 3.4504 6.9423 108.6072 45.9583 0.0000 173.0278 84 C 4.7512 7.9349 116.0769 55.8447 32.1674 173.5017 85 Y 4.0112 8.5106 119.3341 60.7782 38.4163 177.9111 86 R 4.0803 8.1287 118.5610 58.4489 30.1657 176.6225 87 G 3.6537 7.1786 107.7317 46.6576 0.0000 175.2871 88 L 3.8848 8.2443 118.1255 57.3969 42.1440 179.3776 89 R 3.7206 7.3078 116.3640 59.8696 30.0966 178.3867 90 H 4.0380 7.8881 115.6564 58.6308 28.5046 177.1058 91 R 4.4891 7.3732 114.2213 56.1843 29.3080 176.8203 92 R 4.4424 7.8064 114.7526 55.5925 31.4271 175.4635 93 G 3.8707 7.8982 104.2687 46.4030 0.0000 174.0814 94 L 4.7472 7.5527 116.6654 51.6250 45.9205 175.0607 95 P 4.3388 0.0000 0.0000 63.3516 32.2325 176.5122 96 V 4.3247 8.2708 113.9286 63.1127 32.9297 178.3974 97 R 3.9416 8.0407 117.3899 58.1558 29.9831 177.0847 98 G 4.0278 7.9085 105.5429 45.5037 0.0000 174.0334 99 Q 4.1979 7.9119 117.4231 55.5473 29.7731 177.4892 100 R 4.2873 8.1508 117.7704 55.5262 28.0383 177.0587 101 T 4.2955 7.7626 113.1606 63.3609 68.0724 174.5724 102 K 4.1552 7.7791 120.6432 60.4184 33.3848 176.4811 103 T 4.4047 7.2721 111.5583 61.0483 68.5090 175.3046 104 N 4.1638 8.1825 111.9500 54.3318 35.7676 174.4694 105 A 4.6449 7.8839 127.1794 50.3132 18.4239 176.8594 106 R 4.6103 8.1490 117.7040 55.9129 32.8291 176.8135 107 T 4.3330 7.7914 112.4033 64.2272 69.4752 175.1334 108 R 3.8918 7.4583 121.4637 59.1806 30.6313 177.7653 109 K 4.0084 7.8147 118.8262 59.8006 33.4626 178.3501 110 G 3.9431 7.9410 105.3311 42.3373 0.0000 170.0316 111 P 4.2468 0.0000 0.0000 62.8955 31.3198 176.3030 112 R 4.0792 8.4665 119.3373 56.9376 30.5278 176.9296 113 K 4.4580 8.0660 119.2593 53.0175 32.3862 174.2841 114 P 4.2178 0.0000 0.0000 63.2688 31.9751 178.0308 *115 I 3.9554 8.0720 115.0245 60.2077 36.0824 175.1065 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 A 8.12 4.33 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 2 R 7.94 4.10 0.00 1.87 1.98 0.00 3.35 0.00 0.00 3.57 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 3 I 8.04 3.14 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 1.34 0.87 0.90 0.00 0.00 4 A 8.24 4.50 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 5 G 9.22 3.99 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 0.00 0.00 0.00 6 I 7.59 4.28 1.87 0.00 0.00 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 1.60 0.36 0.99 0.00 0.00 7 N 8.83 4.12 0.00 2.89 2.77 0.00 0.00 6.71 6.91 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 8 I 8.16 5.26 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 1.09 0.26 0.95 0.00 0.00 9 P 0.00 4.45 0.00 2.17 2.10 0.00 3.75 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 1.96 1.94 0.00 10 D 7.94 4.82 0.00 2.74 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 11 H 8.19 4.34 0.00 3.17 3.47 0.00 5.83 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.19 4.80 0.00 1.87 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.50 7.81 13 H 8.80 4.76 0.00 3.12 3.27 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.92 4.04 1.21 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 0.00 0.00 15 V 7.49 3.89 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 1.02 0.00 0.00 1.01 0.00 0.00 16 I 7.88 3.65 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 0.95 0.00 0.00 17 A 7.77 4.52 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 18 L 7.37 4.00 0.00 2.04 1.65 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.75 4.25 4.37 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 1.26 0.00 0.00 20 S 7.49 4.33 0.00 3.84 3.81 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 0.00 0.00 0.00 21 I 6.85 3.73 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.90 0.00 0.00 22 Y 8.35 4.75 0.00 3.44 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 23 G 7.10 5.39 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 24 V 7.31 4.38 1.98 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 0.53 0.00 0.00 0.86 0.00 0.00 25 G 8.22 4.30 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 0.00 26 K 8.66 4.34 0.00 1.74 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 27 T 7.64 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 1.22 0.00 0.00 28 R 7.97 4.00 0.00 1.65 1.78 0.00 3.06 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.18 0.00 29 S 7.13 4.82 0.00 3.94 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 30 K 7.99 4.51 0.00 1.78 1.91 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.36 7.81 31 A 7.80 4.62 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 32 I 7.88 3.71 1.88 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 1.42 1.78 0.90 0.00 0.00 33 L 7.96 3.96 0.00 1.75 1.70 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.66 4.26 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 35 A 8.06 4.67 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 36 A 8.31 4.54 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 37 G 8.23 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 0.00 0.00 0.00 0.00 38 I 7.30 4.17 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 1.42 0.90 0.90 0.00 0.00 39 A 8.46 4.25 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 40 E 8.64 4.74 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 41 D 7.87 5.09 0.00 2.60 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 42 V 7.26 4.40 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 0.79 0.00 0.00 0.90 0.00 0.00 43 K 8.41 4.87 0.00 1.69 1.48 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.40 7.81 44 I 8.05 4.30 2.09 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 1.46 0.37 0.89 0.00 0.00 45 S 8.16 4.53 0.00 3.79 3.81 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 0.00 0.00 0.00 46 E 8.15 3.99 0.00 1.91 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 0.00 2.26 2.37 0.00 47 L 7.51 4.48 0.00 1.64 1.62 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.68 4.42 0.00 3.83 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 49 E 9.09 4.04 0.00 2.04 1.91 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 2.34 2.36 0.00 50 G 7.92 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 51 Q 7.93 4.30 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 52 I 8.00 4.03 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 1.17 0.62 0.95 0.00 0.00 53 D 7.60 4.77 0.00 2.70 2.85 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 54 T 7.96 4.24 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 1.25 0.00 0.00 55 L 7.83 4.45 0.00 1.74 1.72 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.95 4.05 0.00 1.80 1.99 0.00 3.20 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 57 D 7.93 4.42 0.00 2.64 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 58 E 7.80 4.42 0.00 1.98 1.88 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 2.32 2.32 0.00 59 V 7.67 4.45 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 0.85 0.00 0.00 0.95 0.00 0.00 60 A 8.05 4.34 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 61 K 7.10 3.70 0.00 1.86 1.81 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.64 7.81 62 F 8.29 4.03 0.00 2.97 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 63 V 8.27 4.23 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 0.92 0.00 0.00 0.93 0.00 0.00 64 V 7.88 4.46 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 0.83 0.00 0.00 0.98 0.00 0.00 65 E 8.83 3.89 0.00 2.21 1.43 0.00 0.00 0.00 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 2.44 0.00 66 G 9.31 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.11 4.38 0.00 2.82 2.70 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 68 L 8.13 3.98 0.00 1.99 1.77 1.07 1.12 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 69 R 7.58 3.84 0.00 1.90 1.94 0.00 3.23 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 70 R 8.07 3.92 0.00 1.91 2.13 0.00 3.13 0.00 0.00 3.10 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 71 E 8.95 3.89 0.00 2.44 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 2.33 2.41 0.00 72 I 7.41 3.75 2.21 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 1.42 0.64 0.91 0.00 0.00 73 S 8.68 4.18 0.00 3.97 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 74 M 9.53 4.18 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 75 S 7.50 4.70 0.00 3.88 3.81 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 0.00 0.00 0.00 76 I 7.52 3.72 1.90 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 1.36 0.80 0.85 0.00 0.00 77 K 7.86 3.97 0.00 1.76 1.79 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 78 R 7.84 3.94 0.00 1.97 2.03 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 79 L 7.54 4.16 0.00 1.76 1.71 1.01 0.94 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 80 M 7.54 4.11 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 81 D 8.60 4.93 0.00 2.78 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 82 L 7.79 4.57 0.00 1.71 1.62 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 83 G 6.94 3.45 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 0.00 0.00 0.00 84 C 7.93 4.75 0.00 3.16 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 85 Y 8.51 4.01 0.00 3.07 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 86 R 8.13 4.08 0.00 1.94 2.01 0.00 3.37 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 87 G 7.18 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.24 3.88 0.00 1.60 1.69 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.31 3.72 0.00 1.68 1.92 0.00 3.18 0.00 0.00 2.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 90 H 7.89 4.04 0.00 3.38 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.37 4.49 0.00 1.83 2.00 0.00 3.04 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 92 R 7.81 4.44 0.00 1.85 1.89 0.00 3.22 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 93 G 7.90 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 94 L 7.55 4.75 0.00 1.49 1.48 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.34 0.00 2.07 2.01 0.00 3.66 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 2.04 2.12 0.00 96 V 8.27 4.32 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 0.82 0.00 0.00 0.95 0.00 0.00 97 R 8.04 3.94 0.00 1.80 2.04 0.00 3.24 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 98 G 7.91 4.03 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 0.00 0.00 0.00 99 Q 7.91 4.20 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.49 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 100 R 8.15 4.29 0.00 2.04 2.10 0.00 3.02 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 101 T 7.76 4.30 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 0.00 102 K 7.78 4.16 0.00 1.88 1.97 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.42 7.81 103 T 7.27 4.40 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 0.00 104 N 8.18 4.16 0.00 2.80 3.25 0.00 0.00 6.53 7.35 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 0.00 105 A 7.88 4.64 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 0.00 106 R 8.15 4.61 0.00 1.76 1.93 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 107 T 7.79 4.33 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 0.00 108 R 7.46 3.89 0.00 1.74 1.85 0.00 3.27 0.00 0.00 3.25 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 109 K 7.81 4.01 0.00 1.89 1.91 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.43 7.81 110 G 7.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.25 0.00 2.18 2.09 0.00 3.79 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 1.99 2.01 0.00 112 R 8.47 4.08 0.00 1.82 1.93 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 113 K 8.07 4.46 0.00 1.69 1.71 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.37 7.81 114 P 0.00 4.22 0.00 2.17 2.09 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 *115 I 8.07 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 1.27 0.56 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.