NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 M 4.5498 8.2893 118.8043 54.7888 32.3500 174.3597 8 Y 4.7838 7.3939 121.3765 54.5055 40.7633 173.0803 9 D 4.4358 9.7494 123.2531 56.5166 42.8864 177.7639 10 Y 4.7433 7.8758 113.7892 55.9005 42.7352 174.5889 11 L 4.7915 8.4778 122.8849 53.4855 44.8275 175.3877 12 F 5.3356 9.0981 126.5395 55.6070 41.6207 174.9111 13 K 4.9163 8.8876 125.9825 56.0461 33.5259 175.4355 14 V 4.9858 9.1882 127.4942 61.2532 34.6603 174.5019 15 V 4.9238 8.8186 120.7199 59.6973 34.6004 174.5005 16 L 5.1251 8.7156 123.9167 53.6035 43.0588 175.9151 17 I 4.3771 9.3633 123.0451 58.9565 42.1447 173.9748 18 G 4.1451 7.0135 112.8748 43.5731 0.0000 172.2061 19 D 4.7416 8.0705 120.0976 53.8179 41.4524 176.4155 20 S 4.2805 8.3606 115.3545 59.8669 62.7805 174.4563 21 G 3.9360 8.7324 113.5246 46.1313 0.0000 174.6194 22 V 3.8660 7.1039 112.4825 61.2726 32.1960 176.8938 23 G 4.1852 8.5691 108.5430 45.4977 0.0000 175.5565 24 K 3.8672 8.5658 121.0353 59.8072 31.9161 179.2403 25 S 4.5951 7.8915 115.7777 61.1360 62.6855 176.2769 26 N 4.6826 7.9495 119.9318 55.1006 38.4271 177.3602 27 L 4.1598 8.3158 121.2876 57.6977 41.6619 179.2579 28 L 4.0219 8.1278 120.5220 58.2578 42.2306 179.2200 29 S 4.0776 8.4115 114.5426 61.2280 63.0509 176.4551 30 R 4.0833 8.4046 122.8345 59.3000 29.6548 178.2860 31 F 4.2188 8.1939 119.7076 60.7647 39.4075 176.5623 32 T 3.9823 7.8988 107.8442 62.1206 69.5561 175.4639 33 R 4.3522 7.7827 117.2432 54.5461 31.8851 174.5446 34 N 4.7110 7.9705 114.4067 53.7318 37.4118 173.1600 35 E 4.8640 7.9584 113.3395 54.2327 33.1832 175.5165 36 F 5.0376 8.5722 122.2331 56.4221 42.6279 173.8517 37 N 4.8654 8.5916 123.5802 51.6661 41.4556 174.4054 38 L 4.2123 8.6189 124.2416 55.8134 41.9664 177.1638 *42 S 4.2083 7.7892 115.0202 58.1566 63.4721 177.6478 43 T 4.5752 8.3856 121.5531 61.1527 71.0118 173.6405 44 I 4.2347 8.3893 119.1289 59.7868 38.1991 174.9511 45 G 4.0464 7.4768 107.1653 46.1748 0.0000 173.0360 46 V 4.3561 8.5981 113.1260 62.4380 32.2703 175.7849 47 E 4.9725 9.5586 121.3076 55.5201 33.5385 173.3993 48 F 5.0421 7.6044 113.2505 55.3415 41.0528 173.3702 49 A 4.5924 9.0083 120.8191 50.3218 22.6974 175.0786 50 T 5.5895 8.2778 109.0248 59.4527 71.8442 173.6658 51 R 4.5195 8.1962 122.6434 55.2091 33.7188 173.5504 52 S 5.2246 8.7037 122.8593 57.6894 64.0947 173.4609 53 I 4.7306 8.9613 117.5724 59.2092 41.2902 173.9673 54 Q 5.0507 8.5783 121.6685 54.3841 30.5545 175.5566 55 V 4.2080 8.3438 123.1505 62.1474 34.3657 174.7596 56 D 4.4526 9.7566 126.5734 55.4512 39.4646 174.0392 57 G 3.9430 8.4192 102.3990 45.4130 0.0000 173.7148 58 K 4.8138 7.9512 119.2825 54.6418 35.5670 175.3620 59 T 4.7610 9.4589 120.7744 62.6242 70.1856 173.7936 60 I 4.6374 9.1520 128.9437 59.4478 39.4982 174.8161 61 K 4.6133 9.0154 130.0853 55.0939 33.3691 175.1170 62 A 4.9090 9.0862 131.0616 51.2146 20.5587 175.5889 63 Q 4.8628 9.5443 124.9152 54.6797 30.9690 174.0630 64 I 5.0289 9.0301 128.9253 59.6371 39.2925 175.2150 65 W 5.2419 9.6504 127.6561 55.4757 31.5406 174.8756 66 D 5.5359 9.9289 121.7803 52.0004 45.0417 174.5323 67 T 4.5927 8.4937 112.2981 60.2360 70.9657 173.9721 68 A 4.5667 9.1723 122.7184 52.1004 19.3939 178.1226 69 G 3.8860 8.3170 107.1737 47.3033 0.0000 176.2951 70 Q 4.1052 7.9952 120.0610 58.7762 28.5404 178.4725 71 E 4.4236 8.0181 117.7037 58.8914 29.3482 178.9747 72 R 3.7595 7.5922 118.9368 58.5533 29.9737 177.2557 73 Y 4.8124 7.2933 116.0458 57.2676 40.1163 176.4625 *74 R 3.9279 7.7797 118.3730 58.0974 27.1566 181.8291 75 R 4.6009 8.5234 115.5875 56.9305 29.4036 178.9498 76 I 4.0129 7.7399 120.4318 61.8614 37.5393 176.1778 77 T 4.4251 8.2758 116.1726 60.7553 69.9139 175.9096 78 S 4.5501 8.7045 117.1042 61.4128 62.7920 176.2078 79 A 3.9897 7.6685 124.4778 55.2733 17.7412 178.9116 80 Y 3.7481 7.7705 117.7538 60.8860 38.7627 177.5178 81 Y 4.3079 7.9004 119.2543 59.0228 37.9324 175.9824 82 R 3.9834 6.8453 118.4390 58.1249 29.4127 182.1886 83 G 3.9195 8.9474 111.4767 44.0838 0.0000 172.9844 84 A 4.1524 8.0048 123.9009 52.5242 18.7518 177.9514 85 V 4.2099 8.9034 115.9039 61.4100 33.2548 175.9021 86 G 4.5275 7.7768 106.9007 44.5605 0.0000 171.5338 87 A 5.2661 9.1861 122.7886 49.9937 23.1293 175.0556 88 L 4.7712 9.0008 122.3891 53.2305 43.7875 175.5059 89 L 4.9186 9.2045 127.8905 53.6581 43.5146 174.9714 90 V 5.0257 8.9308 127.7489 61.2771 34.3158 173.9943 91 Y 5.0158 8.6899 124.6516 55.3991 42.4795 173.1137 92 D 4.9495 9.1544 119.7169 52.3039 42.4861 177.2091 93 I 3.8665 8.8943 120.6986 63.3384 37.6334 177.0655 94 A 4.8785 8.4786 122.1331 51.0253 19.2182 177.1342 95 K 4.5244 8.3221 117.2761 54.0542 34.0951 176.5916 96 H 4.2877 8.9051 121.6826 58.6135 28.3426 177.0582 97 L 3.7317 7.6136 122.6933 58.0749 41.6669 178.8553 98 T 4.7621 7.7977 110.3414 64.0916 68.6541 175.8807 99 Y 3.9827 7.9012 122.2569 60.4537 38.7186 176.9249 100 E 3.6695 8.6322 118.9499 59.3603 29.9799 178.4907 101 N 4.4484 8.1838 114.6537 54.1577 38.7464 177.1874 102 V 3.7677 7.4686 121.0889 66.0904 31.4424 177.2211 103 E 4.0679 7.9938 120.8147 60.0264 29.3301 179.5784 104 R 3.7644 7.6773 119.9272 61.2664 29.4575 180.6025 105 W 4.5723 7.7554 119.8834 59.4336 29.0584 178.4556 106 L 4.1377 8.7484 123.3630 58.5598 41.4727 179.7755 107 K 3.8966 8.3015 123.8295 59.9384 31.7130 180.4605 108 E 4.0398 8.2973 120.9513 59.8184 29.3384 178.0010 109 L 3.7883 9.0011 122.1303 56.1319 41.1242 180.7819 110 R 3.7315 7.6245 124.8069 62.3150 30.2977 179.5668 111 D 4.6446 8.4579 122.7685 57.5985 40.7362 178.5175 *112 H 4.3704 8.4377 124.5826 57.9781 28.7393 177.4083 113 A 4.7928 7.9679 122.2521 50.8869 20.9003 175.7245 114 D 4.6368 8.5672 121.0401 53.5066 40.5626 179.0207 115 S 3.9540 8.2797 119.4481 61.0715 62.6779 172.5987 116 N 4.7800 7.8788 114.8842 52.7737 38.6083 174.7416 117 I 3.7997 7.7074 120.0724 61.7490 38.7273 175.3032 118 V 4.0891 8.6405 129.4021 62.0870 33.0866 174.4975 119 I 4.9830 8.3438 127.9448 59.6854 40.5648 173.7463 120 M 5.0357 8.9344 127.3433 52.7621 34.5525 174.3195 121 L 4.8951 9.3519 129.4976 54.8166 43.8938 175.4299 122 V 4.6071 9.3699 126.5450 61.0667 34.5098 174.5797 123 G 3.2203 8.5758 116.6598 44.1567 0.0000 172.3495 124 N 5.1828 8.6045 126.1538 51.2455 41.7820 174.3716 125 K 4.3310 8.7534 116.5263 57.6550 28.7689 178.6067 126 S 4.2348 8.2134 115.1832 60.5814 62.9189 175.1451 127 D 4.4258 8.0234 120.7648 55.8037 40.0308 176.4054 128 L 4.4477 7.9745 122.7533 53.9797 41.4194 178.4354 129 R 3.9674 8.0202 120.6531 59.6533 30.5973 179.2415 130 H 4.4634 8.2536 111.0753 57.1068 29.1023 175.6694 131 L 4.4262 7.5751 119.4742 53.9610 41.9602 175.6703 132 R 4.0585 7.6211 119.9214 57.1738 29.9090 175.8740 133 A 4.5022 9.1400 127.7251 51.7578 20.4394 176.1022 134 V 4.0906 7.4706 114.5099 59.8055 32.9075 173.2415 135 P 4.3919 0.0000 0.0000 62.5864 32.0954 177.7547 136 T 4.2386 8.7364 120.5307 66.5104 68.3722 176.4610 137 D 4.3029 8.0634 119.9525 57.1273 40.8153 178.4332 138 E 3.8303 7.9594 119.5608 59.2780 29.6469 178.7684 139 A 4.0356 7.4794 121.6500 54.3645 18.4560 179.3360 140 R 2.9202 7.5683 117.2492 59.1853 30.0813 178.4964 141 A 3.9400 7.8963 120.4899 55.1127 18.4653 179.2448 142 F 3.9857 8.2590 118.8200 61.3963 39.4296 177.0520 143 A 3.9077 8.3067 120.5791 55.3403 18.3149 179.4624 144 E 3.9418 8.6744 119.8121 60.1759 29.3185 180.4850 145 K 4.0269 7.9661 122.6266 58.9837 31.7361 179.7549 146 N 4.7886 7.2935 113.5352 51.9102 38.8358 174.5034 147 N 4.1718 7.5526 115.8511 54.2910 36.8619 173.9733 148 L 4.9105 7.8697 116.9689 53.3106 43.2270 177.2660 149 S 4.6244 8.5640 117.2256 58.4057 64.9138 172.5893 150 F 5.3537 8.4109 121.3163 57.1918 42.3793 172.9957 151 I 3.9426 7.7678 123.6211 59.7873 41.7813 172.6516 152 E 5.0138 8.2604 126.5463 54.7624 32.0459 175.0230 153 T 4.8043 8.7781 113.3046 59.8659 73.2206 172.8721 154 S 4.7828 8.9017 116.4415 56.3600 64.1763 174.4206 155 A 4.1279 9.0010 131.9218 55.1031 18.6408 178.5445 156 L 2.5003 7.9568 116.7481 57.7718 41.8909 177.4196 157 D 4.5267 8.0985 115.9822 53.7307 41.2551 178.3068 158 S 3.9227 8.0104 115.2756 58.6486 61.7695 170.0307 159 T 4.0122 7.1723 118.3077 65.0801 68.4026 174.4203 160 N 4.7395 9.0024 121.5448 54.1521 36.7265 176.4603 161 V 3.6309 8.0028 119.4360 66.1971 31.5895 177.6702 162 E 4.3314 8.4093 117.8514 59.8784 29.2394 179.1637 163 E 3.9809 8.3034 117.5149 59.3335 29.5718 179.1394 164 A 3.8654 8.0649 120.7714 55.2495 18.3698 179.7961 165 F 3.8056 7.9134 116.0186 60.3973 38.7855 178.2298 166 K 4.0562 8.4580 118.5559 59.5274 31.7320 179.1892 167 N 4.3366 8.6996 117.1324 56.3771 38.4171 177.3803 168 I 3.6881 7.7700 120.0387 63.9653 37.9821 177.9152 169 L 4.1717 8.2874 120.1920 58.1230 41.4363 179.6663 170 T 4.0495 8.3894 116.1636 66.4441 68.3947 176.3692 171 E 3.9113 8.5478 121.6426 59.4103 29.6318 179.0149 172 I 3.4662 7.9757 120.0648 64.2761 36.9880 177.6823 173 Y 4.1256 8.2452 120.4754 61.0248 38.4546 178.5324 174 R 3.4138 8.1414 117.6921 58.9422 29.8220 179.0757 175 I 3.7728 7.5787 119.5731 64.5856 37.2258 178.9671 176 V 3.6922 7.9439 113.8807 64.1752 31.1940 178.7167 177 S 4.3585 7.9459 113.1685 60.6839 62.8958 175.6772 178 Q 4.2557 7.4431 119.3217 55.5535 28.9973 175.4717 179 K 4.4493 7.3261 120.6130 54.3849 33.3440 176.6381 180 Q 4.2964 8.4300 121.8686 55.2084 29.5443 175.7843 181 I 3.7302 8.2040 118.9289 62.0941 37.6187 176.2761 182 A 4.2253 8.2938 125.7374 52.5368 19.1432 175.7803 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 *7 M 8.29 4.55 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 8 Y 7.39 4.78 0.00 3.27 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 9 D 9.75 4.44 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.74 0.00 2.36 1.76 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 11 L 8.48 4.79 0.00 0.95 1.45 0.61 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 12 F 9.10 5.34 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.89 4.92 0.00 1.93 1.87 0.00 1.40 0.00 0.00 1.60 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 14 V 9.19 4.99 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 0.82 0.00 0.00 1.06 0.00 0.00 15 V 8.82 4.92 1.76 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 0.10 0.00 0.00 0.98 0.00 0.00 16 L 8.72 5.13 0.00 1.78 1.65 1.17 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 17 I 9.36 4.38 2.03 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.12 1.08 0.00 0.00 18 G 7.01 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 0.00 0.00 0.00 19 D 8.07 4.74 0.00 2.93 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 20 S 8.36 4.28 0.00 3.75 3.74 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 21 G 8.73 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 22 V 7.10 3.87 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 0.82 0.00 0.00 1.06 0.00 0.00 23 G 8.57 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 0.00 0.00 0.00 0.00 24 K 8.57 3.87 0.00 1.77 1.90 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.49 1.49 7.81 25 S 7.89 4.60 0.00 3.80 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 26 N 7.95 4.68 0.00 2.69 2.93 0.00 0.00 7.63 6.74 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 27 L 8.32 4.16 0.00 1.97 2.00 0.89 0.38 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 28 L 8.13 4.02 0.00 1.87 1.89 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.41 4.08 0.00 4.04 4.06 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 30 R 8.40 4.08 0.00 2.21 2.25 0.00 3.19 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 1.73 1.78 0.00 31 F 8.19 4.22 0.00 2.57 2.42 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 0.00 32 T 7.90 3.98 4.08 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 1.14 0.00 0.00 33 R 7.78 4.35 0.00 1.81 1.88 0.00 3.22 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 34 N 7.97 4.71 0.00 2.75 2.80 0.00 0.00 7.14 7.65 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 35 E 7.96 4.86 0.00 1.93 1.80 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 2.19 2.40 0.00 36 F 8.57 5.04 0.00 2.92 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 37 N 8.59 4.87 0.00 2.41 2.52 0.00 0.00 6.97 7.63 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 38 L 8.62 4.21 0.00 1.66 1.76 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *42 S 7.79 4.21 0.00 3.65 3.71 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 43 T 8.39 4.58 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 1.42 0.00 0.00 44 I 8.39 4.23 1.89 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 1.36 0.63 0.92 0.00 0.00 45 G 7.48 4.05 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 0.00 0.00 0.00 46 V 8.60 4.36 2.67 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 0.79 0.00 0.00 1.23 0.00 0.00 47 E 9.56 4.97 0.00 1.84 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 2.36 2.24 0.00 48 F 7.60 5.04 0.00 2.13 1.45 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 49 A 9.01 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.28 5.59 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 1.35 0.00 0.00 51 R 8.20 4.52 0.00 1.60 1.71 0.00 2.58 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 52 S 8.70 5.22 0.00 3.78 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 53 I 8.96 4.73 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 1.08 0.00 0.00 54 Q 8.58 5.05 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 55 V 8.34 4.21 1.70 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 1.01 0.00 0.00 0.94 0.00 0.00 56 D 9.76 4.45 0.00 2.90 2.58 0.00 0.00 0.00 0.00 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4.43 0.00 1.60 1.64 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.62 4.06 0.00 1.86 1.93 0.00 3.23 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 133 A 9.14 4.50 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 0.00 134 V 7.47 4.09 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 0.01 0.00 0.00 0.94 0.00 0.00 135 P 0.00 4.39 0.00 2.15 1.93 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 136 T 8.74 4.24 4.32 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 1.51 0.00 0.00 137 D 8.06 4.30 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 7.96 3.83 0.00 1.97 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 2.23 2.32 0.00 139 A 7.48 4.04 1.13 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 0.00 0.00 140 R 7.57 2.92 0.00 1.56 1.91 0.00 3.11 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 141 A 7.90 3.94 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 0.00 142 F 8.26 3.99 0.00 3.26 3.37 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 0.00 143 A 8.31 3.91 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 3.94 0.00 2.08 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 0.00 2.32 2.45 0.00 145 K 7.97 4.03 0.00 1.85 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.35 7.81 146 N 7.29 4.79 0.00 2.31 2.58 0.00 0.00 7.08 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 0.00 147 N 7.55 4.17 0.00 2.83 2.85 0.00 0.00 6.83 7.40 0.00 0.00 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 7.87 4.91 0.00 1.55 1.76 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.56 4.62 0.00 3.95 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 0.00 150 F 8.41 5.35 0.00 3.05 3.01 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 0.00 151 I 7.77 3.94 1.67 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 1.04 0.79 0.69 0.00 0.00 152 E 8.26 5.01 0.00 1.82 1.72 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 2.25 2.10 0.00 153 T 8.78 4.80 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 1.13 0.00 0.00 154 S 8.90 4.78 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.00 4.13 1.56 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 0.00 156 L 7.96 2.50 0.00 1.12 1.45 0.24 1.12 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 0.00 157 D 8.10 4.53 0.00 2.67 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 0.00 158 S 8.01 3.92 0.00 4.09 4.06 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 0.00 159 T 7.17 4.01 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 1.19 0.00 0.00 160 N 9.00 4.74 0.00 2.95 2.88 0.00 0.00 7.26 7.68 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 0.00 161 V 8.00 3.63 2.22 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 1.34 0.00 0.00 1.02 0.00 0.00 162 E 8.41 4.33 0.00 2.12 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 2.54 2.45 0.00 163 E 8.30 3.98 0.00 2.21 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 2.41 2.47 0.00 164 A 8.06 3.87 1.12 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 0.00 0.00 165 F 7.91 3.81 0.00 1.84 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 0.00 0.00 0.00 166 K 8.46 4.06 0.00 1.95 1.94 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.65 1.87 7.81 167 N 8.70 4.34 0.00 2.82 2.85 0.00 0.00 6.64 7.22 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 0.00 168 I 7.77 3.69 1.76 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 1.47 1.57 0.91 0.00 0.00 169 L 8.29 4.17 0.00 1.91 1.93 1.13 1.20 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 0.00 170 T 8.39 4.05 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 171 E 8.55 3.91 0.00 2.17 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 2.27 2.36 0.00 172 I 7.98 3.47 1.50 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.46 -0.52 0.00 0.00 173 Y 8.25 4.13 0.00 3.20 3.30 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 0.00 174 R 8.14 3.41 0.00 1.71 1.89 0.00 3.37 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 175 I 7.58 3.77 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.14 0.83 0.00 0.00 176 V 7.94 3.69 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 0.66 0.00 0.00 1.07 0.00 0.00 177 S 7.95 4.36 0.00 3.97 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 0.00 178 Q 7.44 4.26 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 179 K 7.33 4.45 0.00 1.91 1.74 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 180 Q 8.43 4.30 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 181 I 8.20 3.73 1.89 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 1.38 0.56 0.93 0.00 0.00 182 A 8.29 4.23 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 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.