NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.0697 8.4249 118.1699 53.1437 38.5032 173.6420 4 Y 4.6187 7.7460 113.0649 55.8728 38.1986 171.5258 5 V 3.8645 7.8779 121.2087 61.9685 33.2689 175.6941 6 K 4.6238 8.2574 122.6988 52.7020 33.4655 177.6568 7 V 3.7965 8.4662 125.0726 64.9584 31.7518 176.1378 8 H 4.3802 7.8938 118.7576 55.5343 30.0471 174.9687 9 Q 4.3646 8.1787 124.9903 54.8668 30.0211 172.8098 10 P 4.9245 0.0000 0.0000 61.0598 34.0916 175.1497 11 L 4.7074 8.5218 123.7522 53.1283 43.8863 175.9892 12 N 4.9002 8.5994 121.1277 49.1763 37.7663 169.9626 13 V 4.4148 7.6510 122.7374 60.1527 33.9952 176.0879 14 D 4.5348 8.4148 126.3626 54.1259 42.7136 177.4253 15 L 4.0647 8.5867 126.3846 58.9913 42.1510 180.3540 16 R 3.9535 7.9149 120.0656 61.7389 29.3355 180.7354 17 T 4.0993 7.8378 116.3079 66.5844 68.5421 176.6986 18 Q 4.0876 8.7428 122.7850 59.4833 28.6589 179.6942 19 K 4.0694 8.6669 125.3191 59.9232 31.6798 181.1516 20 T 4.0978 8.1526 111.4999 64.7308 68.5518 176.3593 21 Q 4.0209 7.9806 122.3117 59.1954 28.9082 178.3921 22 T 3.9595 7.8518 116.3211 66.5773 68.0648 176.8275 23 K 4.0225 8.5056 120.8182 59.3916 31.9431 179.4321 24 L 4.0346 8.2825 119.5397 58.0652 41.5935 178.9893 25 Y 4.1559 8.4423 119.7320 60.8775 38.5814 178.1651 26 T 3.8879 7.6928 116.8274 66.5781 68.4673 176.7179 27 V 3.0941 7.2249 118.8182 65.7452 31.4104 178.0751 28 L 3.9183 7.3695 118.6386 57.6615 41.5033 179.0894 29 E 3.6215 8.1578 119.9025 59.1760 29.5389 178.9266 30 R 3.8808 8.4296 119.5625 59.4155 30.1677 178.4593 31 F 4.4776 8.8901 118.4649 60.7596 38.8988 177.0315 32 Y 2.9705 7.8507 119.2274 60.2914 38.1873 178.2622 33 V 3.2353 7.2699 117.8073 65.6680 31.6873 177.2384 34 E 4.0340 7.8208 116.1679 56.7350 29.2742 176.8959 35 D 4.3589 7.9687 118.1218 54.9369 38.7215 174.5556 36 R 4.2181 7.6881 117.6446 56.1899 31.0048 177.3700 37 T 4.3452 8.4305 118.0267 63.3605 70.1915 175.8197 38 F 3.6470 8.6253 129.9578 61.8011 39.2297 177.8165 39 E 4.0340 8.1547 116.7824 61.0253 29.5947 180.6579 40 S 4.3809 7.4390 112.9343 60.5313 63.4185 175.4748 41 I 3.8138 6.7460 122.1436 61.0843 37.6713 175.9243 42 S 4.7399 8.1479 117.7280 55.9603 67.3220 175.3468 43 I 3.3641 8.0986 123.9225 64.1749 36.8199 178.6703 44 K 3.8120 7.8537 120.0461 59.5358 32.0653 178.2119 45 D 4.3397 7.5600 118.1040 57.1422 41.0588 177.9392 46 L 3.9398 8.0005 120.8100 58.4074 42.0430 178.7970 47 C 4.0638 8.4527 119.4755 63.4786 27.8279 176.6279 48 E 3.9614 8.3279 119.1931 61.1009 29.3384 180.4122 49 Q 4.3371 8.3609 119.5330 58.4786 29.3249 177.0935 50 A 4.2715 8.5566 122.2567 51.8481 19.5445 177.5199 51 R 3.7980 8.1627 114.9393 57.4028 27.3737 181.8366 52 V 4.5077 7.4086 116.8289 60.7898 34.8829 175.2761 53 S 4.1966 8.4569 119.7366 58.6213 63.7493 175.6667 54 R 3.8859 8.6748 127.7119 58.9494 29.7308 178.8178 55 A 4.2465 8.0682 120.4906 55.6250 17.9997 179.6158 56 T 3.7105 7.7781 113.6919 66.5289 68.6703 176.5397 57 F 3.8845 8.0613 122.2885 61.5571 39.2236 176.8418 58 Y 4.6689 7.4368 117.6381 61.3322 37.7312 179.1021 59 R 4.1521 7.4615 120.3032 61.7133 29.5398 180.4312 60 H 4.5426 7.4371 115.8138 57.5484 29.0108 175.6907 61 H 4.8749 7.3705 116.6808 54.1251 31.6274 175.1363 62 K 4.1545 8.8860 123.8679 57.1243 32.0497 176.0423 63 E 5.0837 7.7853 118.4473 53.1438 33.1730 176.0452 64 I 3.9961 8.5205 122.8009 64.5530 36.9711 178.4195 65 I 4.0390 7.9884 118.7445 63.6863 37.7238 177.4504 66 Q 3.9954 8.2063 120.9139 59.0306 28.8082 178.0838 67 V 3.6252 7.6590 119.0366 66.3344 31.5931 178.1405 68 I 3.8616 7.9248 118.8297 64.2011 36.9966 177.8890 69 E 3.8781 7.9398 120.0716 59.2956 29.4169 179.0766 70 V 3.5816 8.1177 118.6112 66.0096 31.6575 177.9779 71 Q 3.8031 8.0247 117.8107 59.0131 28.2550 178.8759 72 I 3.6195 7.3269 119.5398 64.2087 37.1569 177.9234 73 L 4.0219 7.4951 120.2535 57.9657 42.0397 178.6915 74 R 4.1155 8.2317 119.3450 59.3089 30.1146 180.0584 75 T 4.3679 7.7780 110.1336 61.8371 68.7717 176.1712 *77 Q 4.3107 8.1407 122.1948 57.3535 31.0000 177.4522 78 Y 4.1137 7.8275 115.5588 60.5327 37.8753 177.9235 79 F 4.2050 8.8967 122.2735 61.4973 39.4593 177.3216 80 S 4.2243 8.3656 114.3448 61.4746 62.4449 176.2823 81 L 3.8581 7.6614 121.6788 58.3887 42.1150 178.6033 82 E 4.0620 8.7791 119.0246 59.3222 28.8486 179.1850 83 F 3.8876 8.4163 121.1090 61.3436 39.1852 176.9948 84 D 4.4107 7.8577 117.4144 56.8035 40.6079 177.1331 85 Q 4.4022 7.4744 116.2762 55.3781 28.8927 175.2531 86 I 4.4995 6.7437 110.4430 58.3930 39.9674 175.6018 87 I 3.5927 8.1063 123.6512 61.4872 37.3861 176.0619 88 L 4.2126 8.2256 125.6912 53.9519 41.1342 176.5532 89 T 4.8091 7.9689 116.0508 59.2656 73.3479 175.3544 90 K 3.9691 8.4955 126.6059 60.1077 31.8428 180.0437 91 E 4.1648 8.1401 120.3948 59.0296 29.3160 178.5080 92 N 4.3072 7.9930 116.3350 56.4801 38.7610 177.4763 93 I 3.8401 8.3669 121.4676 64.4076 37.0807 178.5251 94 Q 4.1139 8.2997 121.4490 59.6980 28.5162 179.7366 95 R 3.9776 7.9927 121.5779 61.3265 29.1977 180.4106 96 L 4.2400 7.5247 120.0045 58.0007 42.3805 178.9445 97 I 4.1221 7.9243 119.4624 64.4215 37.0812 178.0766 98 L 3.9810 8.2352 120.1008 58.3191 41.5442 179.7439 99 R 3.9508 8.4172 117.9624 59.9528 29.8283 179.0492 100 T 4.1445 8.1387 115.1808 66.3039 68.3764 177.1754 101 I 3.7529 7.7500 121.3329 64.1502 37.1082 177.9389 102 Q 4.0933 7.9336 119.4316 59.0114 29.1148 177.5620 103 K 4.1648 8.2301 119.7822 58.3990 32.7966 176.8891 104 N 5.1570 8.0106 117.1541 52.0852 39.6856 175.2709 105 P 4.4043 0.0000 0.0000 66.0235 31.1719 176.9247 106 L 4.0015 7.9138 118.8215 57.7723 42.2504 178.2040 107 L 4.7533 7.8637 121.1386 57.8225 42.0927 178.8108 108 F 3.6282 8.1682 117.3552 60.5431 38.8260 177.6848 109 Q 4.2312 8.0882 117.2167 58.9418 28.3282 179.0387 110 V 3.6000 7.3297 119.1403 65.6424 31.4739 178.2216 111 I 3.3233 7.3089 119.9449 63.8901 36.8153 178.3541 112 F 4.3251 7.5104 118.1455 60.0729 38.8665 177.3617 113 W 4.3475 8.1719 126.7507 60.7257 30.5414 177.3347 114 S 2.7900 8.4299 112.3909 60.0042 61.8555 175.4138 115 R 4.1649 7.7487 116.3501 58.8288 27.2773 176.7284 116 A 4.7014 8.0446 117.3282 51.9478 20.0363 179.4776 117 E 3.9207 8.0314 123.0024 61.1350 30.0860 178.4794 118 N 4.5684 8.0983 115.1862 55.5505 38.4916 177.3176 119 I 3.9216 7.6561 121.5583 63.9296 37.3241 177.7165 120 F 4.0116 7.8661 121.7007 61.3292 39.2599 177.2932 121 I 3.7002 7.9408 119.4734 64.3530 36.7969 178.2272 122 D 4.2407 7.6375 118.4183 57.3125 40.7083 179.0775 123 V 3.4395 7.3221 118.7025 66.0130 31.6503 178.0671 124 V 3.5573 7.6701 117.0631 64.5907 31.1654 177.0419 125 S 4.5092 7.7155 112.1239 60.2094 62.8026 176.0648 126 G 3.5597 7.9858 109.0237 47.6210 0.0000 175.6478 127 E 3.9231 8.5356 121.3972 59.2784 29.4780 179.5058 128 I 3.6659 7.2899 118.4316 64.2060 37.1050 178.3114 129 L 4.2881 7.7498 122.2806 57.6185 41.7189 179.0483 130 R 3.8823 7.8675 118.5885 59.5285 30.0563 178.5629 131 I 3.7173 8.0637 120.2184 64.2732 37.1301 178.5468 132 S 4.1458 8.1534 115.2230 61.4861 62.6809 176.5890 133 L 4.0411 7.9464 122.6264 57.4907 41.1247 179.4757 134 L 4.0060 7.4569 117.8237 57.4244 41.6671 178.8448 135 K 4.2923 7.8138 117.4294 56.9007 32.3900 178.2142 136 E 4.0522 8.2205 115.3753 55.4712 28.5804 180.1662 137 V 3.7522 7.6328 118.6121 63.4605 32.1128 175.3627 138 S 4.3557 8.1136 120.1274 56.3008 65.0524 173.5435 139 F 4.8215 7.8219 124.0537 56.4962 40.0902 176.1064 140 S 4.1553 8.8320 119.5754 61.2740 63.6915 174.1544 141 D 4.6191 8.0243 125.4468 52.7182 40.7784 175.7502 142 S 4.9612 8.7054 121.3632 58.2411 63.5200 174.8865 143 K 4.4687 8.1694 122.3356 57.6524 34.3584 176.9563 144 F 4.2375 7.8112 119.1439 58.0658 39.5919 175.4418 *146 P 4.2108 0.0000 0.0000 62.1044 33.2442 178.6346 147 N 4.7510 7.6124 116.8687 55.8997 38.0998 177.0341 148 C 3.7772 7.6320 119.2270 62.4507 31.6669 175.3514 149 F 4.5992 7.6417 117.4359 60.5468 38.5512 177.0333 150 A 4.2269 8.2116 120.6066 54.7104 18.1188 178.1739 151 R 4.0925 7.8038 116.4872 57.0100 31.0884 178.9870 *153 I 4.1783 7.7443 120.8338 61.5335 39.5767 178.3706 154 L 3.9986 7.8616 119.9374 57.9666 41.3680 179.7723 155 S 4.1530 7.9853 114.9012 61.3611 62.6715 176.4777 156 L 3.8684 7.8758 122.4171 57.9744 41.4231 178.7356 157 A 3.6473 7.5753 120.4205 54.9473 18.2544 179.4984 158 A 3.9321 8.0661 119.2528 55.2667 18.5601 179.4957 159 E 3.8699 8.5523 118.2579 59.3992 29.4601 179.0917 160 I 3.7395 7.8412 119.3222 64.3506 37.2392 177.9008 161 Q 4.1189 8.9829 119.8663 59.3163 29.0195 177.7428 162 Q 4.1143 8.2774 119.9489 57.8655 29.3424 176.7984 163 S 4.4028 7.5411 115.0334 57.5476 63.8295 173.9420 164 N 4.3952 8.9976 125.1868 56.1828 37.3747 176.6200 165 K 4.1239 7.1767 116.3043 54.1391 32.3616 177.9928 166 D 5.0231 8.0277 118.8355 52.8427 43.8497 175.2646 167 Y 4.9489 8.3434 119.6585 56.0783 40.8894 176.5761 168 T 4.3122 8.5723 114.9892 61.3018 71.2252 175.7229 169 N 4.3774 8.6407 119.3705 56.6891 38.7060 177.4134 170 D 4.3901 8.0995 119.8236 57.3771 40.8503 178.6941 171 Q 4.0626 8.0336 118.1253 58.9983 28.6336 178.7977 172 L 3.9399 7.8691 120.0056 57.7440 41.6030 179.7586 173 V 3.6141 8.1635 120.7448 66.5299 31.3523 178.6057 174 E 3.9922 8.0639 117.5356 61.1275 29.5904 181.0119 175 L 4.2701 8.2438 120.7549 57.7405 41.8472 179.7441 176 I 3.7762 8.6688 120.9086 64.5610 37.1424 178.5475 177 Q 4.1524 8.6805 121.7440 59.1007 28.2282 178.8265 178 E 3.9402 9.0207 120.6927 61.2424 29.7263 182.5774 179 A 4.4376 8.5769 122.1587 54.9929 18.2620 179.6291 180 A 4.1098 7.9335 120.4058 55.9451 18.5968 180.3631 181 R 4.0094 7.9040 118.8390 61.6348 29.2248 181.4982 182 F 4.8711 7.7216 116.6997 59.2534 38.9095 176.8036 183 L 4.7314 7.6114 117.3623 54.2641 42.0894 176.1637 184 Q 4.2350 7.6670 125.0186 56.2355 29.1756 175.0749 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 3 N 8.42 4.07 0.00 2.68 2.73 0.00 0.00 5.96 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 4 Y 7.75 4.62 0.00 3.10 2.94 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 5 V 7.88 3.86 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 0.76 0.00 0.00 0.96 0.00 0.00 6 K 8.26 4.62 0.00 1.78 1.62 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 0.96 7.81 7 V 8.47 3.80 2.49 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 0.86 0.00 0.00 1.28 0.00 0.00 8 H 7.89 4.38 0.00 3.38 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.18 4.36 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.47 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 10 P 0.00 4.92 0.00 2.00 1.96 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 11 L 8.52 4.71 0.00 1.61 1.39 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.60 4.90 0.00 2.70 2.63 0.00 0.00 6.63 7.67 0.00 0.00 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 V 7.65 4.41 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 0.97 0.00 0.00 0.90 0.00 0.00 14 D 8.41 4.53 0.00 2.72 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 15 L 8.59 4.06 0.00 1.68 1.67 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.91 3.95 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 17 T 7.84 4.10 4.35 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 1.19 0.00 0.00 18 Q 8.74 4.09 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 19 K 8.67 4.07 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 20 T 8.15 4.10 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 1.36 0.00 0.00 21 Q 7.98 4.02 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 22 T 7.85 3.96 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 1.27 0.00 0.00 23 K 8.51 4.02 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.76 7.81 24 L 8.28 4.03 0.00 2.11 1.83 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.44 4.16 0.00 3.07 3.03 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 26 T 7.69 3.89 4.36 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 1.17 0.00 0.00 27 V 7.22 3.09 1.61 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 0.11 0.00 0.00 0.80 0.00 0.00 28 L 7.37 3.92 0.00 1.68 1.77 1.16 1.38 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 29 E 8.16 3.62 0.00 1.62 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 2.23 2.13 0.00 30 R 8.43 3.88 0.00 1.84 2.05 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 31 F 8.89 4.48 0.00 3.34 3.24 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 0.00 32 Y 7.85 2.97 0.00 1.43 2.43 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 33 V 7.27 3.24 2.14 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 0.81 0.00 0.00 0.97 0.00 0.00 34 E 7.82 4.03 0.00 2.13 1.92 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 2.32 2.53 0.00 35 D 7.97 4.36 0.00 2.70 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 36 R 7.69 4.22 0.00 2.21 2.04 0.00 2.61 0.00 0.00 2.85 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 37 T 8.43 4.35 4.36 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 1.28 0.00 0.00 38 F 8.63 3.65 0.00 1.51 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.15 4.03 0.00 2.11 1.86 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 2.23 1.94 0.00 40 S 7.44 4.38 0.00 4.09 4.02 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 0.00 0.00 0.00 41 I 6.75 3.81 1.63 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 1.00 0.00 0.00 42 S 8.15 4.74 0.00 3.95 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 43 I 8.10 3.36 1.69 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 1.35 0.47 -0.15 0.00 0.00 44 K 7.85 3.81 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 45 D 7.56 4.34 0.00 2.63 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 46 L 8.00 3.94 0.00 1.80 1.71 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.32 3.44 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 0.84 0.00 0.00 0.88 0.00 0.00 124 V 7.67 3.56 1.57 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 0.64 0.00 0.00 -0.03 0.00 0.00 125 S 7.72 4.51 0.00 4.17 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 0.00 126 G 7.99 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 3.92 0.00 1.79 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 2.34 2.38 0.00 128 I 7.29 3.67 2.02 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 1.32 0.76 0.99 0.00 0.00 129 L 7.75 4.29 0.00 1.91 1.71 0.98 1.39 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 0.00 130 R 7.87 3.88 0.00 1.94 2.18 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 131 I 8.06 3.72 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.92 0.62 0.00 0.00 132 S 8.15 4.15 0.00 3.82 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 0.00 133 L 7.95 4.04 0.00 1.85 1.74 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.46 4.01 0.00 1.83 1.76 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.81 4.29 0.00 1.74 1.86 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.71 1.72 7.81 136 E 8.22 4.05 0.00 2.14 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 2.12 2.09 0.00 137 V 7.63 3.75 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 0.78 0.00 0.00 0.94 0.00 0.00 138 S 8.11 4.36 0.00 3.89 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 0.00 139 F 7.82 4.82 0.00 3.22 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 0.00 140 S 8.83 4.16 0.00 4.00 4.04 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 0.00 141 D 8.02 4.62 0.00 2.73 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 0.00 142 S 8.71 4.96 0.00 4.22 4.04 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 0.00 143 K 8.17 4.47 0.00 1.81 1.86 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.37 7.81 144 F 7.81 4.24 0.00 3.34 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 *146 P 0.00 4.21 0.00 2.10 2.08 0.00 3.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 147 N 7.61 4.75 0.00 2.63 2.70 0.00 0.00 6.19 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 0.00 148 C 7.63 3.78 0.00 2.20 2.61 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 0.00 149 F 7.64 4.60 0.00 3.08 2.94 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 0.00 150 A 8.21 4.23 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 0.00 151 R 7.80 4.09 0.00 1.97 1.93 0.00 3.04 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 *153 I 7.74 4.18 2.24 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 1.48 0.75 1.25 0.00 0.00 154 L 7.86 4.00 0.00 1.89 1.79 0.98 0.35 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 0.00 155 S 7.99 4.15 0.00 3.84 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 0.00 156 L 7.88 3.87 0.00 1.67 1.56 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.58 3.65 0.70 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 0.00 0.00 158 A 8.07 3.93 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 0.00 159 E 8.55 3.87 0.00 2.06 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 2.24 2.31 0.00 160 I 7.84 3.74 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.90 0.00 0.00 161 Q 8.98 4.12 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 162 Q 8.28 4.11 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 163 S 7.54 4.40 0.00 4.19 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 0.00 164 N 9.00 4.40 0.00 2.83 2.99 0.00 0.00 6.11 7.13 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 0.00 165 K 7.18 4.12 0.00 1.87 1.64 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.28 7.81 166 D 8.03 5.02 0.00 2.50 2.52 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 0.00 167 Y 8.34 4.95 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.57 4.31 4.27 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 1.30 0.00 0.00 169 N 8.64 4.38 0.00 2.81 2.93 0.00 0.00 6.84 8.08 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 0.00 170 D 8.10 4.39 0.00 2.78 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 0.00 171 Q 8.03 4.06 0.00 2.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 172 L 7.87 3.94 0.00 1.87 1.68 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.16 3.61 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 1.06 0.00 0.00 1.05 0.00 0.00 174 E 8.06 3.99 0.00 2.04 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 2.24 2.22 0.00 175 L 8.24 4.27 0.00 1.85 1.72 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 176 I 8.67 3.78 1.97 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 1.52 1.25 0.93 0.00 0.00 177 Q 8.68 4.15 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 178 E 9.02 3.94 0.00 1.87 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 2.25 2.21 0.00 179 A 8.58 4.44 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 0.00 180 A 7.93 4.11 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 0.00 181 R 7.90 4.01 0.00 1.87 1.95 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 182 F 7.72 4.87 0.00 3.15 3.03 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 0.00 183 L 7.61 4.73 0.00 1.83 1.72 0.97 0.72 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 0.00 184 Q 7.67 4.24 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.