NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3635 8.3344 115.4042 57.9508 65.1858 174.1147 4 I 3.4217 7.6554 120.9947 59.3515 38.0329 173.9829 5 S 4.5465 9.1245 123.5070 57.2993 65.5776 173.7657 6 E 4.0198 8.6619 119.6605 59.5549 29.4782 179.5091 7 K 3.5839 8.1408 116.7835 57.9483 32.6084 177.6812 *9 V 4.0095 7.7938 118.4837 62.8342 33.2606 177.1395 10 E 4.0129 8.3892 119.7691 59.1259 29.4307 178.5038 11 A 4.0068 8.1035 120.9039 55.1734 18.3323 179.6771 12 L 4.0161 7.8823 117.0607 58.0298 41.7584 179.2520 13 N 4.4754 8.4988 116.5867 56.3589 38.4011 177.7463 14 R 4.0622 8.4803 120.0061 59.1840 30.1487 178.8492 15 Q 4.0404 8.1407 119.5714 58.9910 29.0193 177.9076 16 I 3.7749 8.2155 121.4646 64.6923 37.1292 177.7859 17 N 4.4058 8.4670 117.3407 56.7217 38.7354 176.7738 18 A 4.1146 8.5104 122.6605 55.0721 18.4113 179.5714 19 E 4.0382 8.9106 117.5255 59.8237 29.6635 179.5929 20 I 3.7497 8.0288 119.8958 64.5463 37.0494 177.9479 21 Y 4.1691 8.5746 120.8235 60.6278 38.7068 177.8251 22 S 3.8509 8.6861 116.4187 61.4457 62.8978 176.3670 23 A 4.2048 8.1231 123.2733 55.7530 18.1467 179.1673 24 Y 4.3965 8.1453 117.8121 60.7288 38.5958 177.8203 25 L 3.6972 7.6930 121.0974 58.2472 42.1943 178.2990 26 Y 4.5569 7.3509 115.5324 60.6988 38.0652 177.4624 27 L 4.0112 8.2466 121.8217 57.6901 42.1269 179.3228 28 S 4.3836 7.8769 112.0785 58.2671 62.2535 175.7724 *30 A 4.5678 7.9727 123.7495 51.9256 20.4589 179.6995 31 S 4.0856 7.9441 109.5482 61.7262 61.8459 175.4810 32 Y 4.1851 8.2163 122.1354 61.1501 38.4118 178.4544 33 F 4.0013 8.1110 117.8218 60.3824 39.0792 177.2009 34 D 4.4049 8.5135 119.1806 57.4330 40.4404 178.9984 35 S 4.2830 8.1745 113.9139 60.1846 62.8441 174.9921 36 I 4.2217 6.7926 113.7393 60.3812 37.4327 176.1540 37 G 3.8886 8.1647 107.1508 47.0544 0.0000 175.7950 38 L 4.6379 7.8245 122.4567 52.9868 40.1379 176.9924 39 K 4.2507 8.1991 123.0035 58.7587 32.4239 178.8336 40 G 3.5162 8.3982 106.0519 47.5858 0.0000 175.6218 41 F 3.5313 8.3458 119.3117 60.1107 38.8300 177.1628 42 S 4.4292 7.9347 111.4273 61.6555 62.4583 175.4475 43 N 4.5369 8.3862 119.5666 56.3335 38.6214 177.1687 44 W 4.1584 8.0006 126.3403 58.2851 30.6684 177.5433 *46 R 4.4079 7.9081 117.7500 55.9007 31.6596 178.0989 47 V 3.5918 7.8763 116.9288 66.0434 31.3137 177.8711 48 Q 3.6911 8.1063 119.3480 58.4392 28.7649 177.8614 49 W 4.3568 8.1685 129.2919 60.6461 30.6256 177.8701 50 Q 3.5064 7.8524 116.7703 58.6082 28.1742 177.9323 51 E 3.9489 8.0360 119.6101 59.2979 29.9960 178.4629 52 E 4.1229 8.4979 118.9943 59.1007 29.2809 179.8515 53 L 3.7887 7.2392 116.9393 55.4559 42.1897 178.1018 *55 H 4.9069 8.1835 117.3113 56.1421 30.5138 175.8502 56 A 4.1594 7.9579 118.0609 52.8824 17.4143 177.5848 *58 K 4.0954 8.0324 118.1818 57.8781 33.4579 177.2226 *60 F 4.7075 8.0212 119.6577 57.9630 40.9826 176.6866 61 D 4.4781 8.3838 119.7444 57.3980 40.5003 178.6094 62 F 3.9782 8.1260 121.0265 60.9020 39.3023 177.2339 63 V 3.3560 7.8579 117.7826 66.2272 31.1273 178.0352 64 S 4.3670 7.4924 114.4498 60.4155 62.7296 175.9347 65 E 3.7619 7.7922 122.5769 59.0031 29.4216 178.4062 66 R 3.8718 7.2672 116.2401 56.7755 30.2792 177.3853 67 G 3.8442 7.9517 107.1954 44.8729 0.0000 173.9808 68 G 3.8046 7.7414 109.6053 44.4178 0.0000 172.4839 69 R 4.3284 7.9399 118.3050 54.0100 32.3875 174.6151 70 V 4.1073 8.0138 124.7008 61.4595 31.9445 174.7290 71 K 4.1936 8.2937 128.7501 54.7866 33.0490 175.5016 72 L 4.2152 8.1596 126.4882 54.2413 42.5346 175.8730 73 Y 4.7399 8.1069 120.0123 55.5149 40.4590 175.2119 74 A 4.0402 8.5577 123.8835 52.9047 18.8193 177.3605 75 V 4.3794 8.0640 119.9014 60.7580 32.6542 175.7100 76 E 4.1752 8.9011 127.5006 55.8880 29.9715 176.5112 77 E 4.0509 9.0395 123.7578 56.3951 29.9088 174.9905 78 P 4.9662 0.0000 0.0000 60.0988 32.8291 173.8058 79 P 4.3279 0.0000 0.0000 63.1444 31.4924 176.2193 80 S 4.6148 7.6887 109.5363 56.3292 64.4589 173.6294 81 E 4.4444 6.7475 119.3735 54.3811 31.6679 174.5867 82 W 4.7407 7.3477 120.3633 54.5411 33.0512 176.2719 83 D 4.6629 8.8538 120.0635 57.1597 40.7216 177.3303 84 S 4.7231 7.7039 110.3139 55.7793 67.1244 175.1677 85 P 4.4850 0.0000 0.0000 66.1390 31.0057 178.4149 86 L 4.0312 8.0972 117.9310 58.2928 42.0018 178.7544 87 A 4.2154 8.3205 120.3971 55.1399 18.3302 179.4020 88 A 3.2532 8.2929 119.5323 55.2084 18.3219 179.8180 89 F 3.7155 8.5729 115.9438 60.0436 38.9472 178.0005 90 E 4.1411 8.7429 119.1287 59.5305 29.2067 178.7786 91 H 4.3164 8.4599 118.5259 59.0959 29.9022 177.2669 92 V 3.7284 7.8355 120.2129 66.3254 31.2587 177.3633 93 Y 4.2369 8.3276 118.9685 61.0624 38.8925 177.9172 94 E 3.8557 8.7532 119.8164 59.4577 29.4927 178.8868 95 H 4.2334 8.9431 118.9340 59.4213 29.8949 177.2728 96 E 4.1981 8.6757 120.6122 59.2890 29.1936 179.3995 97 V 3.4447 7.7909 118.4739 65.7858 31.5366 177.5290 98 N 4.3787 7.9801 116.5269 56.0803 38.7543 177.2566 99 V 3.6037 7.7916 119.9638 66.2365 31.6352 177.8224 100 T 3.9517 8.1633 115.8566 66.9516 68.4223 176.3405 101 K 4.0000 7.8183 120.8743 59.4217 32.1545 179.1844 102 R 3.9709 7.9224 118.3809 59.0256 30.0033 178.8487 103 I 3.6592 8.1560 120.0586 64.9834 37.1734 178.2441 104 H 4.1941 8.7159 117.1451 58.7015 28.1988 177.8047 105 E 3.9921 7.8704 119.6494 59.5394 29.4415 178.9127 106 L 4.1529 7.6952 117.5313 57.7507 41.6925 179.6604 107 V 3.8531 7.5473 117.2249 66.0114 31.6135 179.0148 108 E 4.0402 7.9971 115.4336 56.8417 30.3074 177.4147 *110 A 4.2063 7.8735 119.7872 52.3204 20.0730 179.4726 *112 Q 4.2911 8.1222 119.8524 57.2430 30.6034 176.1952 113 E 4.3907 8.1586 114.3483 55.0857 29.7183 175.5715 114 K 3.4473 7.7955 116.3227 57.2195 30.0254 175.5880 115 D 4.5173 7.6028 119.5437 53.0219 39.7684 176.5175 116 F 4.7262 7.8510 122.8133 59.8871 39.2970 176.6555 117 A 4.2280 8.1566 120.2779 55.6060 18.3143 179.6955 118 T 4.1622 8.5499 114.4182 66.7883 68.3235 176.3115 119 Y 4.1559 8.0706 120.8479 60.8608 39.1502 177.6989 120 N 4.4779 8.5573 117.8293 56.6852 38.7915 176.4209 121 F 4.1257 8.2785 122.1244 61.5520 39.2529 176.8668 122 L 3.8356 8.0003 117.2612 56.7282 41.4190 179.1542 123 Q 3.8180 7.6464 118.4095 58.3983 28.5520 178.1716 124 W 3.9213 7.6250 129.1892 60.8954 30.6294 177.7040 125 Y 3.8758 7.9960 115.9676 60.7329 37.4488 178.0003 126 V 3.4820 8.0410 119.4536 66.1682 31.1682 177.9987 127 A 3.9968 7.9008 120.2082 54.7072 18.2094 179.1631 128 E 3.4712 7.5253 117.9410 59.4086 29.4628 179.1625 129 Q 3.9861 8.1251 118.1007 58.5518 28.7331 178.6350 130 V 3.5699 7.3104 118.1786 66.1528 31.4408 177.7260 131 E 3.9173 7.6961 117.4663 59.2680 29.3279 178.5366 132 E 4.0460 8.2744 118.6822 59.5724 29.4821 179.2430 133 E 4.1845 8.5747 118.5322 59.4865 29.5529 179.3415 134 A 4.0612 8.1109 120.7419 55.2775 18.3665 179.8947 135 S 4.1630 8.5958 113.8402 61.6019 62.8628 176.8695 136 A 4.2873 8.0966 123.5772 55.1961 18.2467 179.3774 137 L 3.5690 8.3302 119.1284 58.3618 42.0125 178.9515 138 D 4.2813 8.2704 118.8843 57.3231 40.6906 178.7506 139 I 3.5313 7.1849 118.9212 63.6742 37.0123 178.5352 140 V 3.5463 7.7991 119.3363 66.1700 31.3116 178.0098 141 E 4.0327 8.3340 118.5402 59.3059 29.0900 179.5961 142 K 3.9530 7.8713 118.6286 59.2037 32.1031 179.3413 143 L 3.9957 8.2774 119.7713 57.7938 41.3120 179.7209 144 R 3.8897 8.2160 117.0989 59.3711 30.1956 178.5948 145 L 4.0069 7.9350 118.5922 57.8495 42.2195 178.2562 146 I 4.1582 7.6537 119.0625 59.2361 37.9319 179.1660 147 G 3.7920 8.4312 106.0911 46.9562 0.0000 175.0601 148 E 4.2990 9.0575 123.5454 56.2542 30.4677 175.6203 149 D 4.3504 7.9130 119.3864 54.5971 41.9013 176.5228 150 K 4.1587 8.6265 127.3923 58.9575 32.4038 179.4619 151 R 3.9685 8.0984 118.0575 58.9358 29.9239 178.7097 152 A 4.0305 8.5177 120.8372 54.9291 18.3741 179.1414 153 L 3.9682 7.7486 118.6995 58.7063 42.0867 179.3922 154 L 4.1082 8.2810 118.5912 57.3464 41.5110 179.2369 155 F 4.0015 8.2168 121.0938 61.2307 39.3582 176.9984 156 L 3.9578 8.5216 120.3389 57.9351 41.8491 178.3589 157 D 4.1085 8.5695 118.6636 56.9648 40.9466 178.1076 158 K 3.7665 7.6061 118.9802 59.5587 32.5028 177.9711 159 E 3.8935 7.5611 118.7176 59.7249 29.3671 179.6085 160 L 4.0590 7.6552 118.5029 57.1317 41.4190 179.3456 161 S 4.1673 7.6712 113.3813 60.6856 62.9168 175.8676 162 L 4.1001 7.4859 121.6165 55.5751 41.8437 177.2426 163 R 4.0748 7.5115 119.6492 55.9614 30.7798 175.9141 164 Q 4.1784 8.3897 123.3469 56.2149 29.2606 175.0797 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 S 8.33 4.36 0.00 3.95 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 4 I 7.66 3.42 1.79 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 1.45 1.10 0.83 0.00 0.00 5 S 9.12 4.55 0.00 4.00 3.85 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 6 E 8.66 4.02 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 2.38 2.28 0.00 7 K 8.14 3.58 0.00 1.78 1.80 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 *9 V 7.79 4.01 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 0.94 0.00 0.00 0.95 0.00 0.00 10 E 8.39 4.01 0.00 2.19 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 0.00 2.33 2.39 0.00 11 A 8.10 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.88 4.02 0.00 1.90 1.80 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.50 4.48 0.00 3.02 3.14 0.00 0.00 7.04 7.21 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 14 R 8.48 4.06 0.00 1.98 1.95 0.00 3.05 0.00 0.00 2.72 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 15 Q 8.14 4.04 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 16 I 8.22 3.77 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 1.07 0.00 0.00 17 N 8.47 4.41 0.00 3.09 3.09 0.00 0.00 7.15 7.76 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 18 A 8.51 4.11 1.42 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 0.00 0.00 19 E 8.91 4.04 0.00 2.20 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 0.00 2.64 2.65 0.00 20 I 8.03 3.75 1.95 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 1.38 1.14 0.92 0.00 0.00 21 Y 8.57 4.17 0.00 3.18 3.18 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 22 S 8.69 3.85 0.00 4.09 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 23 A 8.12 4.20 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 24 Y 8.15 4.40 0.00 3.21 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 25 L 7.69 3.70 0.00 1.00 1.36 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.35 4.56 0.00 3.28 3.04 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 27 L 8.25 4.01 0.00 1.37 1.50 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.88 4.38 0.00 3.76 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 *30 A 7.97 4.57 1.44 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 0.00 0.00 31 S 7.94 4.09 0.00 3.87 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 Y 8.22 4.19 0.00 3.46 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 33 F 8.11 4.00 0.00 3.19 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 34 D 8.51 4.40 0.00 2.88 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 35 S 8.17 4.28 0.00 3.98 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 36 I 6.79 4.22 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.63 0.68 0.00 0.00 37 G 8.16 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 38 L 7.82 4.64 0.00 1.80 1.91 0.67 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.20 4.25 0.00 1.78 1.88 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.40 3.52 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 0.00 0.00 0.00 41 F 8.35 3.53 0.00 2.46 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 42 S 7.93 4.43 0.00 4.17 4.16 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 0.00 0.00 0.00 0.00 43 N 8.39 4.54 0.00 2.82 2.97 0.00 0.00 6.90 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.00 4.16 0.00 3.27 3.13 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 *46 R 7.91 4.41 0.00 2.17 2.12 0.00 3.30 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 47 V 7.88 3.59 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 0.86 0.00 0.00 0.92 0.00 0.00 48 Q 8.11 3.69 0.00 1.47 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 1.72 2.44 0.00 49 W 8.17 4.36 0.00 3.73 3.14 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 0.00 0.00 0.00 0.00 50 Q 7.85 3.51 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 51 E 8.04 3.95 0.00 1.90 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 2.13 2.30 0.00 52 E 8.50 4.12 0.00 2.05 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 0.00 2.80 2.74 0.00 53 L 7.24 3.79 0.00 1.46 1.40 0.61 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.18 4.91 0.00 3.58 3.78 0.00 5.73 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 56 A 7.96 4.16 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 *58 K 8.03 4.10 0.00 1.65 1.71 0.00 0.72 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.52 7.81 *60 F 8.02 4.71 0.00 3.16 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 61 D 8.38 4.48 0.00 2.85 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 62 F 8.13 3.98 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.36 2.08 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 0.88 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.06 0.00 0.00 141 E 8.33 4.03 0.00 2.16 1.93 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 2.26 2.39 0.00 142 K 7.87 3.95 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 143 L 8.28 4.00 0.00 1.87 1.74 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.22 3.89 0.00 1.86 1.98 0.00 3.15 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 1.67 1.64 0.00 145 L 7.94 4.01 0.00 1.71 1.88 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.65 4.16 2.12 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 1.45 0.93 0.96 0.00 0.00 147 G 8.43 3.79 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 0.00 0.00 0.00 148 E 9.06 4.30 0.00 1.96 2.00 0.00 0.00 0.00 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 2.22 0.00 149 D 7.91 4.35 0.00 2.74 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 0.00 0.00 0.00 0.00 150 K 8.63 4.16 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.70 7.81 151 R 8.10 3.97 0.00 2.02 2.00 0.00 3.13 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 1.74 1.71 0.00 152 A 8.52 4.03 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 0.00 153 L 7.75 3.97 0.00 1.76 1.95 0.89 1.10 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 0.00 154 L 8.28 4.11 0.00 1.94 1.74 0.94 0.85 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 0.00 155 F 8.22 4.00 0.00 3.11 3.25 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 0.00 156 L 8.52 3.96 0.00 1.89 1.94 0.72 1.33 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 0.00 157 D 8.57 4.11 0.00 3.06 2.89 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 0.00 158 K 7.61 3.77 0.00 1.79 1.55 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.53 7.81 159 E 7.56 3.89 0.00 1.99 1.84 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 1.85 2.42 0.00 160 L 7.66 4.06 0.00 1.42 1.64 0.62 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.67 4.17 0.00 4.00 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 0.00 162 L 7.49 4.10 0.00 1.83 1.72 0.85 0.84 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 0.00 163 R 7.51 4.07 0.00 1.80 1.90 0.00 2.98 0.00 0.00 2.60 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 164 Q 8.39 4.18 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.