NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5891 8.2893 118.1913 55.4664 32.5669 174.0032 2 Q 4.2964 8.6383 116.6368 52.1103 31.6906 172.9302 3 D 4.6925 8.5095 121.0863 51.4382 44.1587 178.0385 4 A 3.7474 7.9532 120.9145 55.3979 18.0116 179.8659 5 I 3.4111 7.1442 117.3658 64.8799 37.3229 178.5236 6 T 3.8074 8.3325 116.3087 66.5761 68.2756 176.3641 7 A 3.9431 8.2142 123.0086 55.2951 18.3750 179.9365 8 V 3.4845 7.6362 116.4409 66.1169 31.5429 178.2140 9 I 3.6897 7.7560 119.5614 64.6042 36.9649 178.1978 10 N 4.3572 8.6626 117.8786 56.2322 37.9942 177.6963 11 S 4.1696 8.0945 115.8168 61.4273 63.1586 176.8343 12 S 3.9827 8.2091 118.8353 61.2978 62.5188 175.9534 13 D 4.2950 8.4108 121.1599 57.5804 40.7579 178.8552 14 V 3.6250 7.7199 111.3317 63.8884 31.5677 177.6958 15 Q 4.3526 7.4934 115.7602 55.2053 28.9831 176.1085 16 G 3.8937 7.9936 107.8713 46.4156 0.0000 173.5704 17 K 4.7401 7.7275 117.5557 54.0112 34.7302 176.2278 18 Y 4.1235 8.5334 118.8671 57.3299 38.5094 175.8678 19 L 3.9502 8.5621 122.2069 55.5377 41.9361 177.8335 20 D 4.8103 8.4136 124.7462 52.2620 42.9153 176.7952 21 T 3.8237 8.3880 114.6615 67.0197 68.4984 176.1706 22 A 3.9765 8.0869 121.7181 55.1948 18.3152 179.3706 23 A 3.9026 8.2348 118.9687 55.4823 18.4715 179.8009 24 L 3.9364 8.1461 117.6661 57.9712 41.6483 179.5328 25 E 3.9372 8.4094 119.3306 59.1796 29.4499 179.0244 26 K 3.9894 7.8714 118.1857 59.3018 32.0901 179.3849 27 L 3.6693 8.0603 119.3295 57.6495 41.5800 179.5098 28 K 4.0922 8.2137 118.6241 59.7554 31.7928 179.1745 29 S 4.2070 7.8740 113.3946 60.8396 62.5566 175.4590 30 Y 4.2009 7.6075 122.0428 60.8253 38.2960 177.5730 31 F 4.4299 7.8113 118.9814 60.9321 38.5573 177.9153 32 S 4.2256 8.4382 113.6725 60.7138 62.9190 175.5966 33 T 4.4349 7.8068 112.0807 61.6313 69.0472 176.5739 34 G 3.5697 7.2121 109.7015 48.1811 0.0000 175.0163 35 E 3.8953 8.1085 121.6050 59.0274 29.6883 178.8533 36 L 4.0855 7.8143 118.1803 57.5163 41.7416 179.5881 37 R 3.9331 7.9929 118.4543 59.1359 29.9540 179.1107 38 V 3.5983 8.0160 118.3473 65.8799 31.5265 178.0514 39 R 3.8370 8.0805 118.2610 59.3644 29.9308 178.3605 40 A 3.9917 7.9883 120.2495 55.1442 18.3988 179.4281 41 A 3.9716 8.0904 119.2692 55.6483 18.3120 180.0372 42 T 3.8489 8.1929 114.4247 66.9458 68.2629 177.2036 43 T 3.8674 7.7694 116.6429 66.7099 68.9114 176.5639 44 I 3.8442 8.1826 121.9115 64.2748 36.9979 178.2151 45 A 3.9195 8.0142 121.2920 55.2801 18.0770 179.4615 46 A 4.1501 7.7002 116.5917 53.9195 18.6369 177.8133 47 N 4.8762 7.7997 113.1999 52.4564 40.2727 175.8941 48 A 3.9754 8.0123 122.7277 55.6494 18.2281 180.3657 49 A 3.9594 7.9854 118.0695 55.1911 18.5347 179.5091 50 A 3.9468 7.9647 118.8515 55.2399 18.4992 179.7658 51 I 3.6389 7.9719 118.3939 64.5516 37.1625 178.8043 52 V 3.5921 7.6238 118.5212 65.7738 31.3616 177.7510 53 K 3.8969 8.2540 119.5237 59.6906 31.9789 178.3293 54 E 3.9421 8.2711 119.1887 59.1634 29.5159 178.5708 55 A 3.9414 8.1495 120.8952 55.0613 18.4691 179.7331 56 V 3.4576 8.1622 116.8866 66.1167 31.4052 178.0300 57 A 4.0887 7.7977 119.0714 55.2858 18.3029 179.4929 58 K 4.1266 8.2545 116.2879 58.8382 32.5633 178.8338 59 S 4.6614 8.4513 113.0392 58.2582 64.0576 175.5941 60 L 4.3912 8.1453 121.0819 55.8650 43.5109 177.3436 61 L 4.0018 7.8034 116.2577 55.8870 42.1121 175.7438 62 Y 3.7273 8.0031 115.6946 59.2997 35.3368 169.8000 63 S 4.8375 7.4854 111.5469 56.6076 66.2133 174.1147 64 D 4.3993 8.5968 118.3651 57.4483 40.8315 178.9961 65 I 3.7335 7.7726 120.3301 63.9274 37.1402 177.5795 66 T 4.3937 7.4536 107.7828 61.8911 69.6944 175.1224 67 R 4.3787 7.4743 121.4679 54.1285 31.3000 173.8530 68 P 2.9700 0.0000 0.0000 64.1524 31.4329 176.5281 69 G 4.1163 8.8040 110.8725 45.5647 0.0000 174.2189 70 G 4.5392 7.7061 114.4088 44.9685 0.0000 175.8023 *72 M 4.4102 8.6250 125.0690 54.3835 33.4631 174.7256 73 Y 4.2892 7.5897 120.3070 58.4281 39.8359 174.5462 74 T 2.9897 7.3735 115.5123 62.1450 69.0835 172.8250 75 T 3.7762 8.2875 115.1755 64.8332 68.6277 176.4084 76 R 3.8448 7.8607 120.9294 59.5634 30.0738 178.5919 77 R 4.0171 7.8537 117.2141 58.9118 30.0825 178.2545 78 Y 3.8483 8.1900 119.3378 60.7780 38.8406 178.1482 79 A 4.1554 8.4343 121.4760 55.1713 18.5617 179.4774 80 A 3.9617 7.8921 118.8600 55.2591 18.4301 179.3865 81 C 4.0108 8.3486 117.7249 62.7377 31.7231 176.0032 82 I 3.7832 7.7365 114.5583 63.7540 37.0700 178.0688 83 R 4.2539 8.0177 122.1361 58.9067 29.8336 178.1996 84 D 4.2051 8.0743 118.4123 57.3524 40.8193 178.6281 85 L 4.3039 7.9753 119.4406 57.9821 41.0943 179.2184 86 D 4.3764 8.2407 118.7231 57.7329 40.7651 178.5711 87 Y 3.8263 7.9579 116.8873 61.2372 37.8954 178.2695 88 Y 4.5998 8.1390 117.9681 61.2260 38.0380 178.6067 89 L 4.2279 8.3598 121.1702 58.3325 42.2297 179.0450 90 R 3.4899 7.9503 118.5840 59.4766 29.9067 178.1285 91 Y 3.9650 8.3034 116.7921 60.8561 37.7835 178.1119 92 A 3.9598 8.6324 122.2470 55.3151 18.3294 179.8926 93 T 3.6829 7.6852 114.2678 66.8629 68.4358 176.4096 94 Y 4.3223 7.7454 118.4500 61.1384 37.8369 178.7286 95 A 3.7788 8.0394 121.4778 55.2291 18.2009 179.3086 96 M 3.5404 7.4586 115.5233 58.5782 32.3730 177.9669 97 L 4.1416 7.9707 118.0466 57.9877 42.0973 179.2654 98 A 4.1960 8.3839 120.4004 52.4971 18.1348 177.9990 99 G 4.1195 8.5092 105.3461 46.0058 0.0000 173.1928 100 D 4.5781 7.5400 116.4705 52.3729 44.1880 172.9195 101 P 4.4214 0.0000 0.0000 62.9262 32.0302 177.7293 102 S 4.0871 8.5481 116.6225 62.0347 62.5912 176.3309 103 I 3.6915 7.6883 121.2642 63.5150 37.6558 177.7415 104 L 4.1120 8.0441 120.4423 57.6488 41.2652 179.0596 105 D 4.4113 8.0309 117.4923 57.4378 41.0338 178.2406 106 E 4.1622 8.3516 118.0162 58.8418 29.5944 178.2632 107 R 4.4436 7.9214 114.3853 55.7699 30.3043 175.8915 108 V 4.0582 7.1154 116.1437 64.4337 33.6344 177.1237 109 L 3.8695 8.5304 119.0188 56.1944 41.7823 176.9851 110 N 4.2409 7.2309 117.6270 54.0488 36.8506 174.3065 111 G 4.2309 8.5733 110.3281 45.2522 0.0000 172.9147 112 L 3.6821 7.5271 121.7291 57.7482 42.0509 179.2505 113 K 3.9899 7.8131 118.1316 59.5689 32.6347 178.6767 114 E 3.9279 8.0591 119.8362 59.6814 29.6432 178.7813 115 T 3.9002 7.8170 115.5107 67.2157 68.6425 176.1092 116 Y 4.4510 8.3158 118.6236 61.3529 37.3638 178.7237 117 N 4.4239 8.6257 117.7866 56.3648 38.5007 177.7301 118 S 4.2585 8.0247 114.3319 60.8634 63.1843 175.7218 119 L 4.3946 7.8510 120.8404 54.6936 41.7617 177.6723 120 G 3.8227 7.5991 105.2752 45.4253 0.0000 173.3406 121 V 3.4651 7.5178 120.1621 61.1510 31.6714 174.5631 122 P 4.2900 0.0000 0.0000 63.0653 31.4427 176.7626 123 I 3.7712 8.3001 125.7519 64.2574 37.1222 178.1490 124 S 4.0436 8.0572 113.3109 61.5245 62.2264 176.0558 125 A 4.0087 7.9150 122.8223 55.2900 18.0597 179.5288 126 T 3.8001 7.8798 114.4036 66.8116 68.4751 176.8983 127 V 3.5242 8.0993 120.4287 66.1129 31.4188 178.0546 128 Q 3.9342 8.0673 117.4292 58.8442 28.5072 178.5658 129 A 4.3730 8.1175 123.2978 54.8215 18.4515 179.8105 130 I 3.5523 7.9605 118.4184 64.5324 37.2220 178.7377 131 Q 3.8971 8.4033 119.1170 58.7336 28.5134 178.6714 132 A 4.3353 8.1029 123.4504 54.9750 18.4250 179.5395 133 M 3.8787 7.9347 117.2785 58.1579 31.8336 178.8720 134 K 3.4585 7.3445 119.6243 59.4194 32.2415 178.6581 135 E 3.9267 7.8913 118.4844 59.3663 29.2552 179.5539 136 V 3.5893 7.7716 118.1094 66.4559 31.5842 178.2498 137 T 3.9501 8.4112 115.6548 66.4927 68.3921 176.5417 138 A 4.0689 8.3689 122.9871 55.3697 18.2009 179.8538 139 S 4.1156 7.8428 112.5736 61.4882 62.9147 176.5892 140 L 4.1097 7.5216 122.0077 58.3168 42.1704 179.0128 141 V 3.9189 8.0144 109.8982 61.2781 32.0903 177.0126 142 G 4.0120 7.8104 104.6627 44.4100 0.0000 172.4750 143 P 4.2284 0.0000 0.0000 65.9995 31.1667 178.6867 144 D 4.3424 8.0340 116.2937 57.5827 40.8648 178.8376 145 A 4.1868 8.0661 120.8483 54.9282 18.3681 179.7485 146 G 3.6100 8.3438 104.5749 47.6812 0.0000 175.9109 147 K 3.9503 8.0997 121.2619 59.2048 32.5681 178.1963 148 E 4.0650 8.1472 119.4861 59.7598 29.5954 178.4745 149 M 4.1604 8.5015 119.1252 58.5684 31.9789 178.8730 150 G 3.9210 8.4986 105.8355 48.2484 0.0000 176.0990 151 V 3.6176 7.6768 114.4126 64.0811 31.5372 178.1445 152 Y 4.2186 7.3674 116.0235 60.4226 37.8720 177.8076 153 F 4.4377 8.3060 118.9313 60.9187 39.0374 177.3763 154 D 4.4143 8.6934 118.9010 57.4743 40.5424 178.4632 155 Y 3.9212 7.8922 119.6382 60.7185 38.7484 178.0344 156 I 3.7769 7.8794 120.3359 64.7330 37.0314 178.0707 157 C 4.0376 8.0617 116.2249 63.1380 28.2779 176.2155 158 S 4.3058 8.4149 116.9762 61.4487 62.1815 176.9504 159 G 3.5781 7.8537 107.1827 47.0113 0.0000 174.9685 160 L 4.2143 7.3927 119.6178 54.8828 42.0775 176.8530 161 S 4.3790 7.7862 119.3683 58.7926 63.2148 169.0279 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 8.29 4.59 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 2 Q 8.64 4.30 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 3 D 8.51 4.69 0.00 2.83 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 4 A 7.95 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.14 3.41 1.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.94 0.00 0.00 6 T 8.33 3.81 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 1.22 0.00 0.00 7 A 8.21 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.48 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 0.99 0.00 0.00 0.89 0.00 0.00 9 I 7.76 3.69 2.00 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 1.51 0.62 0.88 0.00 0.00 10 N 8.66 4.36 0.00 2.84 2.84 0.00 0.00 6.80 7.60 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 11 S 8.09 4.17 0.00 4.06 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 12 S 8.21 3.98 0.00 4.03 4.15 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 13 D 8.41 4.29 0.00 2.81 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 14 V 7.72 3.62 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 0.85 0.00 0.00 0.98 0.00 0.00 15 Q 7.49 4.35 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 16 G 7.99 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.73 4.74 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.57 7.81 18 Y 8.53 4.12 0.00 2.89 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 19 L 8.56 3.95 0.00 1.70 1.69 0.96 1.04 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 20 D 8.41 4.81 0.00 2.96 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 21 T 8.39 3.82 4.25 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 1.22 0.00 0.00 22 A 8.09 3.98 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 23 A 8.23 3.90 1.39 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 24 L 8.15 3.94 0.00 1.87 1.78 0.96 1.09 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 25 E 8.41 3.94 0.00 2.37 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 2.32 2.41 0.00 26 K 7.87 3.99 0.00 2.05 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 27 L 8.06 3.67 0.00 1.79 1.44 0.95 0.58 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 28 K 8.21 4.09 0.00 2.04 1.94 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.72 7.81 29 S 7.87 4.21 0.00 3.95 4.11 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 0.00 0.00 0.00 0.00 30 Y 7.61 4.20 0.00 2.86 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 31 F 7.81 4.43 0.00 3.31 2.95 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 32 S 8.44 4.23 0.00 4.08 4.17 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 33 T 7.81 4.43 4.22 0.00 0.00 0.00 0.00 0.00 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 34 G 7.21 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.11 3.90 0.00 2.06 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 2.36 2.46 0.00 36 L 7.81 4.09 0.00 1.83 1.70 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.99 3.93 0.00 1.99 1.98 0.00 3.01 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 38 V 8.02 3.60 2.21 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 1.07 0.00 0.00 0.97 0.00 0.00 39 R 8.08 3.84 0.00 2.07 2.04 0.00 3.15 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 1.63 1.65 0.00 40 A 7.99 3.99 1.41 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 41 A 8.09 3.97 1.41 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 42 T 8.19 3.85 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 1.21 0.00 0.00 43 T 7.77 3.87 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 1.23 0.00 0.00 44 I 8.18 3.84 1.86 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 1.16 0.93 0.00 0.00 45 A 8.01 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.15 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 47 N 7.80 4.88 0.00 2.96 2.79 0.00 0.00 6.68 7.06 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 48 A 8.01 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.96 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 50 A 7.96 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.64 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.95 0.00 0.00 52 V 7.62 3.59 2.23 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 1.11 0.00 0.00 1.09 0.00 0.00 53 K 8.25 3.90 0.00 1.98 2.00 0.00 1.72 0.00 0.00 1.60 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.96 3.55 1.89 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 0.87 0.00 0.00 131 Q 8.40 3.90 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 132 A 8.10 4.34 1.35 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 0.00 0.00 0.00 133 M 7.93 3.88 0.00 1.73 1.90 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 134 K 7.34 3.46 0.00 1.44 1.87 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.78 7.81 135 E 7.89 3.93 0.00 2.16 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 2.31 2.51 0.00 136 V 7.77 3.59 2.17 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 1.10 0.00 0.00 0.95 0.00 0.00 137 T 8.41 3.95 4.49 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 1.39 0.00 0.00 138 A 8.37 4.07 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 0.00 0.00 0.00 0.00 0.00 139 S 7.84 4.12 0.00 4.03 3.96 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 0.00 140 L 7.52 4.11 0.00 1.60 1.88 0.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.01 3.92 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 0.81 0.00 0.00 1.08 0.00 0.00 142 G 7.81 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 0.00 143 P 0.00 4.23 0.00 2.18 2.12 0.00 3.62 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 2.13 2.21 0.00 144 D 8.03 4.34 0.00 2.70 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 0.00 145 A 8.07 4.19 1.39 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 0.00 146 G 8.34 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 0.00 147 K 8.10 3.95 0.00 1.90 2.07 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 148 E 8.15 4.07 0.00 2.19 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 0.00 2.43 2.62 0.00 149 M 8.50 4.16 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.84 0.00 150 G 8.50 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.68 3.62 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 0.88 0.00 0.00 -0.06 0.00 0.00 152 Y 7.37 4.22 0.00 2.97 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 0.00 153 F 8.31 4.44 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 0.00 154 D 8.69 4.41 0.00 2.78 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 0.00 155 Y 7.89 3.92 0.00 3.30 3.20 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 0.00 156 I 7.88 3.78 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.72 0.00 0.00 157 C 8.06 4.04 0.00 3.11 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 0.00 158 S 8.41 4.31 0.00 3.76 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 0.00 159 G 7.85 3.58 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 0.00 0.00 0.00 160 L 7.39 4.21 0.00 1.82 1.74 0.84 1.12 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 0.00 161 S 7.79 4.38 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.