NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6716 8.1076 122.4676 51.8257 20.2394 175.4997 3 K 4.8954 8.0755 118.9551 54.1167 36.1415 174.6596 4 I 4.0285 8.9309 123.8407 62.1220 37.8737 177.8784 5 S 4.6353 8.9301 121.8361 58.1435 64.4189 174.2556 6 K 4.1886 7.3165 118.5905 55.7520 35.3728 173.4387 7 I 4.6916 8.4184 127.5768 59.6043 39.5135 174.2693 8 E 4.4216 8.8117 129.1546 54.4889 30.7507 176.9688 9 A 3.5104 8.8039 129.4822 53.8867 18.2678 176.5630 10 Q 3.5278 7.5407 116.9949 57.0134 28.9513 175.2359 *14 G 3.6313 7.3902 107.3864 46.4238 0.0000 168.4359 15 R 3.9484 8.8728 125.7500 56.3072 29.0292 174.9733 16 Y 4.9031 9.9465 119.9211 56.2266 42.1914 174.6729 17 N 5.1897 8.9458 120.1601 52.0089 40.6116 174.2116 18 I 4.3922 8.7828 126.2434 60.6192 39.1040 174.6179 19 Y 4.6509 8.8996 125.1362 56.4509 40.0728 175.2533 20 L 4.7130 8.4912 125.9736 53.7793 41.8144 172.1607 21 D 4.3345 8.7726 131.7602 54.1853 42.8450 175.9082 22 G 3.7683 9.6609 115.4594 46.9584 0.0000 176.1726 23 K 3.8065 9.0715 118.7217 54.4931 33.0152 179.1464 *24 Y 3.5887 7.5471 117.3739 57.7170 37.3748 176.4390 25 A 4.7497 7.9529 122.9716 52.4256 21.1297 176.3892 26 F 4.8323 7.1268 107.3658 55.9172 40.5955 171.0230 27 P 5.5062 0.0000 0.0000 62.1072 32.7885 174.8627 28 V 4.9476 8.9830 112.7335 60.1524 36.7832 174.3998 29 A 4.0529 9.2017 126.4354 51.5612 19.2317 178.6131 30 E 4.2592 8.9804 120.2665 59.2551 29.4857 179.6571 31 S 4.1466 8.0717 114.0861 61.6201 63.4190 176.2325 32 V 3.6281 8.0145 122.4376 65.4515 31.0343 177.3698 33 L 3.9813 7.9688 119.6011 58.4193 41.9249 179.1469 34 I 3.7469 7.6251 119.6743 63.9782 36.7425 178.3439 35 Q 3.8171 8.0335 120.3636 59.1208 29.0218 177.5671 36 F 4.4858 7.8761 115.1856 56.5240 39.0613 175.6993 37 R 3.8814 7.6195 115.8503 56.6005 28.2098 176.4618 38 L 4.0668 7.6156 116.2784 56.1514 42.1839 176.5682 39 M 4.5866 8.3834 119.9590 54.2647 36.4927 174.0283 40 K 4.2057 8.3528 120.1007 57.7167 32.3880 177.8627 41 G 4.0285 8.9050 113.0452 45.0994 0.0000 173.7083 42 T 4.0133 7.7610 117.9171 63.8355 69.3644 173.1548 43 E 4.8957 8.7932 126.2548 55.2029 30.8022 175.5744 44 L 5.0356 8.5568 123.7081 53.3429 45.3922 176.4119 45 D 4.9840 8.8788 121.6340 53.5672 43.4603 176.2702 46 E 4.2732 8.6106 114.7129 58.8765 29.8305 178.6807 47 K 3.9538 7.8781 118.2171 59.6629 32.3813 179.3044 48 Q 3.9322 7.9978 117.6766 58.6891 28.7364 178.6861 49 I 3.5172 7.2513 119.4619 63.9484 36.9974 178.1235 50 A 3.9762 8.1616 121.1166 54.4041 18.1791 179.3742 51 A 3.8938 7.9579 119.7057 55.0057 18.5451 179.8259 52 I 3.3287 7.2959 117.7675 63.9883 37.0086 178.4869 53 A 3.8308 7.5377 121.5103 55.1514 18.1055 179.7955 54 T 3.8984 7.5114 113.8966 66.8114 68.5830 176.8154 55 A 4.1089 8.1985 122.6144 55.0648 18.1867 178.7882 56 D 4.3727 7.7753 116.0375 56.7264 41.3735 178.2454 57 Q 3.9071 7.7674 119.4750 58.5433 28.8985 177.8728 58 Q 3.2639 7.7278 120.5185 58.4416 29.2746 177.5298 59 A 4.1682 7.6205 121.3858 54.4885 18.2239 179.7576 60 K 3.9342 7.7842 117.1256 59.3883 32.1538 179.2691 61 A 3.9553 7.2901 119.5025 55.0335 18.5105 178.8124 62 Y 4.1825 8.6620 118.5046 60.9568 38.9387 178.0460 63 S 3.9859 8.0770 114.0037 61.7026 62.5036 176.4022 64 R 4.1211 8.1983 120.5200 59.5120 29.6444 178.7936 65 M 4.2555 7.9427 118.2461 57.7734 31.7782 178.6311 66 L 3.8416 7.3664 118.7038 57.3501 42.0649 178.8799 67 D 4.2518 7.8478 118.6953 57.3364 40.8163 177.7249 68 Y 4.3707 7.8835 119.9347 60.9586 37.2819 178.2599 69 L 3.8040 8.2793 119.8474 57.0337 41.4588 179.3625 70 S 4.3061 7.3016 113.5790 61.1683 63.0675 175.2410 71 Y 4.3540 6.9486 119.6913 60.6850 37.8135 175.1890 72 Q 4.4547 6.9840 113.0852 55.2508 31.5421 173.0931 73 M 4.1011 8.7385 118.3745 56.0406 32.5075 175.3531 74 R 4.8794 8.4767 123.8080 54.5566 34.2638 174.4481 75 T 4.4995 7.6234 107.8035 59.4045 71.4871 175.2782 76 E 4.0061 8.4248 121.8089 59.6680 29.2675 180.0415 77 S 4.1780 7.9161 113.8203 61.4023 63.2040 176.1372 78 D 4.4855 7.9176 122.1404 57.1543 40.5325 178.7865 79 I 3.8210 7.6661 119.9575 64.2912 37.2457 178.3928 80 V 3.5633 7.8138 119.0275 66.0567 31.4774 178.0878 81 K 3.9721 8.4765 119.5836 59.1464 32.0586 178.6608 82 K 3.7813 7.8429 120.2292 59.1494 31.9466 178.8755 83 L 4.1007 7.8519 119.4258 57.5657 41.4683 179.6558 84 K 3.9595 8.1364 118.6056 59.3962 31.8144 178.9578 85 E 4.1089 7.9653 118.6265 58.2822 29.3886 177.9192 86 I 4.3013 6.9991 109.8212 59.4287 38.8970 174.9210 87 D 4.3354 8.2524 117.6212 56.0183 39.9894 173.9933 88 T 4.2922 7.9542 114.1341 62.1845 69.7070 173.7491 89 P 4.2118 0.0000 0.0000 62.8585 31.9723 176.9704 90 E 3.8862 8.9925 124.0879 59.0873 29.1234 178.2871 91 E 4.0627 7.7565 115.4742 58.2917 30.1488 177.8258 92 F 4.9355 8.0396 118.6967 58.7685 39.4846 177.8366 93 V 3.6439 7.3843 117.2975 66.2908 31.2112 177.8418 94 E 4.0075 8.1519 117.4383 59.0993 29.5368 177.5588 95 P 4.3506 0.0000 0.0000 65.2475 31.3149 178.8420 96 I 3.8639 7.8459 118.9648 64.3688 37.1610 178.2001 97 L 4.0223 8.0516 119.6525 57.7683 41.4552 179.3086 98 K 3.8123 8.3727 119.8454 59.5799 32.2126 178.5179 99 K 3.8949 7.8990 118.9679 59.6466 32.0779 178.6925 100 L 4.2490 8.3091 119.3323 57.7359 41.4510 179.6498 101 R 3.9604 8.7789 119.1488 59.5972 29.9411 178.6514 102 G 4.0733 7.9502 104.7144 46.9674 0.0000 173.7999 103 Q 4.6311 7.4884 116.7775 55.5071 29.1332 175.1677 104 Q 3.4434 8.3666 113.4859 58.2105 27.8446 174.3623 105 L 4.3458 8.2188 118.0950 56.7865 42.6198 177.6951 106 I 4.5800 7.5092 111.1383 58.3665 40.0984 175.3242 107 D 4.5788 8.4328 123.2516 51.6273 42.4483 174.7676 108 D 4.4714 8.6185 126.8075 57.2979 41.0646 177.6486 109 H 4.0651 8.4226 117.9915 59.4846 29.8920 177.0318 110 A 4.1336 8.6784 122.4247 54.8744 18.1282 178.9229 111 Y 3.8683 8.4932 118.5472 60.9039 38.9561 178.1255 112 A 4.1556 8.6881 121.7942 55.3661 18.4397 179.3952 113 A 3.9671 7.9850 119.0402 55.3619 18.4150 179.8401 114 S 4.0083 8.1488 111.6550 61.3749 62.4171 175.6574 115 Y 3.8340 8.1899 122.7422 60.6683 38.5371 178.3654 116 V 3.4046 7.9698 119.1641 65.9034 31.2104 178.0269 117 R 3.7906 7.7270 118.1866 59.3890 29.8384 178.7972 118 T 3.7878 7.6393 115.7236 66.7939 68.4334 176.7601 119 M 3.8218 7.6617 120.6836 58.2730 31.6372 178.7341 120 I 3.2684 7.1338 119.0387 64.2892 37.2832 177.6271 121 N 4.5477 7.5368 114.6867 54.5864 38.7393 176.0594 122 T 4.3786 7.8475 108.4210 61.2574 70.7389 173.3254 123 D 5.0506 8.0089 120.8320 52.5557 43.6460 175.3494 124 L 4.9868 8.2384 117.5214 54.7052 42.5087 177.0541 125 K 4.3300 8.1463 117.1954 55.3547 33.5702 177.0266 126 G 2.9322 8.3922 112.1557 43.0253 0.0000 172.8169 127 P 4.3660 0.0000 0.0000 65.6737 31.1426 179.0625 128 G 3.6421 7.9583 104.2582 48.0761 0.0000 175.8092 129 I 3.8980 7.6025 121.6636 63.6292 37.1087 178.5134 130 I 3.9124 7.6733 120.9420 64.4514 37.0185 178.3943 131 R 3.9286 8.3830 119.2436 59.4201 29.9613 178.6013 132 Q 3.9343 7.9083 118.7846 59.6154 28.7463 178.1908 133 H 4.0002 7.9172 117.2756 59.3789 30.3081 176.7017 134 L 4.0478 8.1209 120.9580 58.0329 41.3999 179.8298 135 R 3.9361 8.6009 118.1178 59.3635 29.8115 178.9775 136 Q 4.0695 7.8502 116.2505 57.6992 28.7033 177.6720 137 K 4.3530 7.6666 118.2444 55.5246 32.3840 177.1675 138 G 3.8713 7.8916 107.3859 45.7265 0.0000 173.9255 139 I 3.9743 7.4465 120.0298 60.1762 37.9703 176.7769 140 G 3.8619 8.3841 110.9785 44.6334 0.0000 174.5629 141 E 4.0713 8.6104 120.0076 59.0686 29.6088 179.7623 142 S 4.2740 8.0475 114.0504 61.5581 63.1900 176.2023 143 D 4.3850 8.0445 122.0130 56.9376 40.6762 178.6643 144 I 3.7683 7.4891 120.6039 64.4683 36.9400 178.1224 145 D 4.4003 8.4402 118.6997 57.5675 41.0205 178.3271 146 D 4.5119 8.1164 118.9635 57.3616 40.3556 178.7393 147 A 4.0472 7.9108 120.8159 55.1020 18.3467 179.4249 148 L 3.9465 8.1465 116.6582 57.1547 41.4924 179.2889 149 T 3.9157 7.4709 115.6393 66.7645 68.4768 175.3428 150 Q 4.1389 7.5722 117.2713 58.5829 29.3092 176.8432 151 F 4.8148 7.9881 122.8258 57.2337 37.8593 175.4417 152 T 4.1560 7.7639 120.8877 62.5277 70.8909 172.8335 153 P 4.3689 0.0000 0.0000 65.9880 31.4362 178.9046 154 E 4.0030 8.1759 116.8523 59.4136 29.5226 179.3981 155 V 3.7305 7.7611 117.7669 66.0352 31.6659 177.8559 156 Q 4.2807 8.8047 117.9681 59.2140 28.7262 178.8318 157 A 3.9854 8.6243 121.8672 55.0119 18.0692 179.4399 158 E 3.9039 8.0707 117.0687 59.7947 29.7233 179.5407 159 L 4.0579 8.1438 118.4903 57.8022 41.7892 179.5839 160 A 3.2266 8.1465 121.1285 54.3972 17.9860 179.6329 161 K 3.8721 7.8360 118.3229 59.5471 32.1667 178.9954 162 K 4.0614 7.8451 119.7115 58.9767 32.0891 178.6426 163 L 4.0066 7.7944 120.6914 57.7730 41.9921 178.7446 164 A 3.9957 8.0124 120.8338 55.0552 18.1594 179.4696 165 L 4.1361 7.5844 116.1614 57.9287 42.1744 179.3852 166 K 4.1032 7.8446 119.4825 59.7124 32.2897 178.8627 167 L 4.0429 8.0272 119.0986 57.7917 41.2502 179.5467 168 F 4.3334 8.1050 117.0438 60.0909 38.9036 177.5149 169 R 4.0937 7.9404 118.4270 59.2946 29.7617 178.3269 170 R 3.6916 7.8480 117.0183 59.3472 30.3024 176.8242 171 Y 4.8524 7.6101 114.3669 57.8984 38.1200 177.6990 172 R 4.2573 7.7425 118.1466 58.1438 29.6466 177.0410 173 N 4.5856 8.1096 115.0550 54.1077 38.1034 175.1154 174 Q 4.5204 7.5688 117.6342 53.9201 30.3738 174.3483 175 P 4.3707 0.0000 0.0000 62.9187 33.1026 177.6097 176 E 3.8742 8.4968 123.1052 59.2284 30.0881 179.5048 177 R 3.8775 8.0150 118.3025 59.6064 30.3468 178.3098 178 R 3.8142 7.9733 117.9637 59.1398 30.0742 178.1219 179 R 3.8672 8.2074 118.9151 59.7169 30.1586 178.4895 180 E 3.9714 8.7436 118.6368 59.3974 29.4553 179.4611 181 Q 4.0719 8.2986 118.5342 58.7557 28.8584 178.6471 182 K 3.7088 7.9482 120.6227 58.8854 32.0547 179.2683 183 V 3.3874 7.1522 118.3683 65.7701 31.5160 177.9155 184 Q 3.3923 7.9643 118.1264 59.0990 28.5023 179.0892 185 Q 4.0669 8.0439 118.9262 58.7439 28.5095 179.2056 186 G 3.6145 7.7656 106.4885 47.3089 0.0000 175.8464 187 L 4.2137 7.8493 121.6693 57.7797 41.6012 179.7342 188 T 4.1167 7.8028 109.5882 65.0797 68.2659 176.6583 189 T 3.9183 8.2497 112.4277 63.3934 68.6098 175.2273 190 K 4.4587 7.7613 122.0828 55.9358 32.3243 177.5070 191 G 3.9462 8.3341 106.7501 45.5847 0.0000 173.4904 192 F 4.7206 7.7942 119.0899 56.4092 39.9700 175.9953 193 S 4.4384 8.5500 119.5623 57.7751 64.0109 175.1895 194 S 4.1835 8.8591 117.6944 61.9280 62.6826 176.6747 195 S 4.0951 8.3041 117.3132 61.2132 62.0303 176.5904 196 V 3.7685 7.5694 121.1972 65.8069 31.5646 177.0306 197 Y 4.2669 8.2956 119.5639 60.3654 38.3747 177.9953 198 E 3.7978 8.1073 119.3162 59.6253 29.5975 178.8077 199 M 4.1525 7.4278 115.5329 57.1879 32.2896 176.9254 200 I 4.4189 7.1824 110.1806 59.5690 38.9926 176.8457 201 K 3.1849 7.4551 122.4214 60.1339 31.9038 177.2942 202 D 4.4228 7.8366 116.9987 55.6668 41.0756 176.2362 203 E 4.1825 7.8864 125.5222 56.0883 29.6050 175.1428 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 A 8.11 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 3 K 8.08 4.90 0.00 1.82 1.75 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.49 7.81 4 I 8.93 4.03 2.03 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 1.27 0.81 0.90 0.00 0.00 5 S 8.93 4.64 0.00 3.83 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 6 K 7.32 4.19 0.00 1.77 1.51 0.00 1.60 0.00 0.00 1.16 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.96 1.22 7.81 7 I 8.42 4.69 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.83 0.00 0.00 8 E 8.81 4.42 0.00 1.69 1.60 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 2.16 2.31 0.00 9 A 8.80 3.51 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 10 Q 7.54 3.53 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 *14 G 7.39 3.63 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 0.00 0.00 0.00 15 R 8.87 3.95 0.00 1.85 2.06 0.00 3.35 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 16 Y 9.95 4.90 0.00 2.89 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 17 N 8.95 5.19 0.00 2.61 2.99 0.00 0.00 7.08 7.25 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 18 I 8.78 4.39 0.97 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 1.28 1.00 0.60 0.00 0.00 19 Y 8.90 4.65 0.00 2.82 2.88 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 20 L 8.49 4.71 0.00 1.49 1.64 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.77 4.33 0.00 2.78 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 22 G 9.66 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 9.07 3.81 0.00 1.79 1.62 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *24 Y 7.55 3.59 0.00 2.32 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 0.00 0.00 0.00 0.00 25 A 7.95 4.75 1.03 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 26 F 7.13 4.83 0.00 3.09 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 27 P 0.00 5.51 0.00 2.17 2.28 0.00 3.96 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 28 V 8.98 4.95 2.24 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 0.95 0.00 0.00 1.13 0.00 0.00 29 A 9.20 4.05 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 30 E 8.98 4.26 0.00 2.45 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 0.00 2.46 2.52 0.00 31 S 8.07 4.15 0.00 4.08 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 32 V 8.01 3.63 2.35 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 1.32 0.00 0.00 1.06 0.00 0.00 33 L 7.97 3.98 0.00 1.90 1.75 0.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.63 3.75 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 1.36 1.38 0.89 0.00 0.00 35 Q 8.03 3.82 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.16 0.00 0.00 0.00 0.00 0.00 1.56 2.06 0.00 36 F 7.88 4.49 0.00 3.11 3.05 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 37 R 7.62 3.88 0.00 1.94 2.01 0.00 3.19 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 38 L 7.62 4.07 0.00 1.65 1.65 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.38 4.59 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.19 3.83 0.00 2.85 3.05 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 0.00 116 V 7.97 3.40 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 0.97 0.00 0.00 1.10 0.00 0.00 117 R 7.73 3.79 0.00 1.86 2.04 0.00 3.12 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 118 T 7.64 3.79 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 1.04 0.00 0.00 119 M 7.66 3.82 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.70 0.00 120 I 7.13 3.27 1.76 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 0.13 -0.01 0.71 0.00 0.00 121 N 7.54 4.55 0.00 2.63 2.80 0.00 0.00 6.88 7.42 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 0.00 122 T 7.85 4.38 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 0.00 123 D 8.01 5.05 0.00 2.54 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 0.00 124 L 8.24 4.99 0.00 1.69 1.80 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.15 4.33 0.00 1.73 1.70 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.60 7.81 126 G 8.39 2.93 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 0.00 0.00 0.00 127 P 0.00 4.37 0.00 2.02 2.03 0.00 3.37 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.35 0.00 128 G 7.96 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.60 3.90 1.84 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 1.68 1.20 0.96 0.00 0.00 130 I 7.67 3.91 2.17 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.16 1.19 0.00 0.00 131 R 8.38 3.93 0.00 1.98 2.00 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 132 Q 7.91 3.93 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 133 H 7.92 4.00 0.00 3.27 3.43 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.12 4.05 0.00 1.85 1.70 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.60 3.94 0.00 2.00 1.96 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 136 Q 7.85 4.07 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 137 K 7.67 4.35 0.00 1.77 1.62 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.51 7.81 138 G 7.89 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 0.00 139 I 7.45 3.97 1.96 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 1.26 0.46 0.93 0.00 0.00 140 G 8.38 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 0.00 141 E 8.61 4.07 0.00 2.00 2.01 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 2.40 2.31 0.00 142 S 8.05 4.27 0.00 4.07 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 0.00 143 D 8.04 4.38 0.00 2.87 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 0.00 144 I 7.49 3.77 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 1.55 1.01 0.95 0.00 0.00 145 D 8.44 4.40 0.00 2.61 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.51 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.05 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 0.00 148 L 8.15 3.95 0.00 2.08 1.79 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.47 3.92 4.42 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 1.24 0.00 0.00 150 Q 7.57 4.14 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.45 0.00 0.00 0.00 0.00 0.00 2.64 2.31 0.00 151 F 7.99 4.81 0.00 2.98 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 0.00 152 T 7.76 4.16 4.33 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 1.28 0.00 0.00 153 P 0.00 4.37 0.00 2.16 2.12 0.00 3.62 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 2.12 2.18 0.00 154 E 8.18 4.00 0.00 2.05 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 2.42 2.39 0.00 155 V 7.76 3.73 2.62 0.00 0.00 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 1.03 0.00 0.00 156 Q 8.80 4.28 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 1.42 1.88 0.00 157 A 8.62 3.99 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 0.00 158 E 8.07 3.90 0.00 2.31 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 0.00 2.36 2.53 0.00 159 L 8.14 4.06 0.00 2.08 1.94 1.10 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.15 3.23 0.61 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 0.00 161 K 7.84 3.87 0.00 2.12 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.43 7.81 162 K 7.85 4.06 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 163 L 7.79 4.01 0.00 1.89 1.74 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.01 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.58 4.14 0.00 1.65 1.82 0.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.84 4.10 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.49 7.81 167 L 8.03 4.04 0.00 1.76 1.75 0.92 1.07 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 0.00 168 F 8.10 4.33 0.00 3.30 3.10 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 0.00 169 R 7.94 4.09 0.00 2.01 2.16 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 170 R 7.85 3.69 0.00 1.54 1.33 0.00 2.21 0.00 0.00 2.79 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.34 0.00 171 Y 7.61 4.85 0.00 3.10 2.87 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 0.00 172 R 7.74 4.26 0.00 1.93 2.34 0.00 3.07 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.60 0.00 173 N 8.11 4.59 0.00 2.89 3.01 0.00 0.00 6.05 7.39 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 0.00 174 Q 7.57 4.52 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 175 P 0.00 4.37 0.00 2.17 1.99 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 176 E 8.50 3.87 0.00 2.12 1.96 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 2.41 2.55 0.00 177 R 8.02 3.88 0.00 1.94 1.92 0.00 3.25 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 1.70 1.70 0.00 178 R 7.97 3.81 0.00 1.90 2.01 0.00 3.33 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 179 R 8.21 3.87 0.00 2.28 2.26 0.00 3.30 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 180 E 8.74 3.97 0.00 2.11 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 0.00 2.87 2.85 0.00 181 Q 8.30 4.07 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 182 K 7.95 3.71 0.00 1.63 1.29 0.00 1.16 0.00 0.00 1.16 0.00 0.00 2.80 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.38 7.81 183 V 7.15 3.39 1.73 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 0.58 0.00 0.00 0.02 0.00 0.00 184 Q 7.96 3.39 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 1.23 1.71 0.00 185 Q 8.04 4.07 0.00 1.95 2.08 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 2.54 2.42 0.00 186 G 7.77 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 0.00 187 L 7.85 4.21 0.00 1.90 1.81 0.97 0.70 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 0.00 188 T 7.80 4.12 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 1.23 0.00 0.00 189 T 8.25 3.92 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 1.26 0.00 0.00 190 K 7.76 4.46 0.00 2.18 2.19 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.70 1.56 7.81 191 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 0.00 192 F 7.79 4.72 0.00 3.27 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 0.00 193 S 8.55 4.44 0.00 4.02 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 0.00 194 S 8.86 4.18 0.00 4.12 4.21 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 0.00 195 S 8.30 4.10 0.00 4.08 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 0.00 196 V 7.57 3.77 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 0.74 0.00 0.00 1.04 0.00 0.00 197 Y 8.30 4.27 0.00 3.08 3.10 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 0.00 198 E 8.11 3.80 0.00 2.28 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 2.40 2.45 0.00 199 M 7.43 4.15 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 200 I 7.18 4.42 1.81 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 1.38 0.75 0.89 0.00 0.00 201 K 7.46 3.18 0.00 1.43 1.64 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 0.87 7.81 202 D 7.84 4.42 0.00 2.64 2.66 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 0.00 203 E 7.89 4.18 0.00 1.85 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 2.20 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.