NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3121 8.3344 115.2818 58.1113 64.1864 174.0946 4 I 3.4688 7.5694 119.4078 59.0938 38.0115 174.0710 5 S 4.4440 9.1809 123.6669 57.8257 65.0000 173.7267 6 E 4.0218 8.7041 119.9493 59.3899 29.5686 179.2675 7 K 3.6747 8.1583 118.6022 58.2141 33.0030 177.4653 *9 V 3.9777 7.8031 117.9140 63.1774 33.3271 176.8289 10 E 3.9689 8.6112 120.0457 59.4136 29.3279 178.7502 11 A 3.9928 7.9415 120.5082 55.1462 18.4320 179.6319 12 L 3.9677 7.8861 116.9907 58.1208 41.9543 179.2867 13 N 4.5385 8.6079 116.7676 56.4048 38.3534 177.7216 14 R 3.9004 8.3450 119.9147 59.3465 30.2025 178.9106 15 Q 4.0116 8.3376 119.4416 58.7936 28.9012 178.1357 16 I 3.7541 8.2961 121.6537 64.4321 37.2221 177.5504 17 N 4.3383 8.4124 117.5652 57.0060 38.6793 176.6821 18 A 4.2507 8.4199 122.2692 55.1664 18.4273 179.5311 19 E 4.0676 8.9432 117.6618 59.6580 29.5762 179.6024 20 I 3.7828 8.2110 120.2179 64.3658 37.1439 177.7381 21 Y 4.2071 8.7627 120.7672 60.9441 38.6567 178.2920 22 S 3.6031 8.4063 115.8195 61.4871 62.8846 176.6314 23 A 4.2627 8.0524 123.2566 55.5495 18.1970 179.1188 24 Y 4.2629 8.2198 118.0750 60.5843 38.5964 177.8129 25 L 3.7087 7.5766 120.9980 58.3821 42.2076 178.4009 26 Y 4.4619 7.3145 115.2629 60.8628 38.1518 177.9007 27 L 3.9408 8.2182 121.6821 57.8253 41.7080 179.3372 28 S 3.9965 7.6827 110.0773 59.1996 62.4858 175.4535 *30 A 4.5872 7.9823 124.9760 51.8759 20.6301 179.9087 31 S 4.1020 8.0027 109.6082 61.5396 62.4813 175.4224 32 Y 4.2074 8.2210 122.3862 61.1450 38.5063 178.4390 33 F 4.1628 8.1134 117.8383 60.5129 39.0578 177.1192 34 D 4.4492 8.3775 118.8988 57.4809 40.4709 178.9240 35 S 4.3629 7.9715 113.0629 59.8434 63.0452 174.7689 36 I 4.2789 6.8777 115.9635 60.0784 37.6960 175.4986 37 G 3.9503 7.8615 106.6706 48.0205 0.0000 175.8788 38 L 4.6904 7.6898 119.5894 52.3675 42.0816 177.7921 39 K 4.3289 8.2980 122.6889 58.2518 32.4005 178.5995 40 G 4.1705 8.5276 107.9160 46.6673 0.0000 176.1242 41 F 3.8084 8.2525 118.8741 60.1642 39.0443 176.9584 42 S 4.4550 7.8353 111.7558 61.7447 62.3018 175.5632 43 N 4.5334 8.2447 119.2197 56.4280 38.6644 177.2169 44 W 4.2441 7.9673 126.9343 58.4581 31.0217 177.4356 *46 R 4.3846 7.9474 118.1397 55.8820 31.8353 178.0897 47 V 3.5516 8.1290 117.2285 66.1105 31.3992 177.9811 48 Q 3.8095 7.7782 119.0179 58.2965 28.6359 178.0361 49 W 4.3392 8.2059 129.3950 60.6330 30.6837 177.7396 50 Q 3.4992 7.7081 116.2281 58.6626 28.1756 178.1223 51 E 3.9708 8.1842 119.5338 59.5716 30.0179 178.5292 52 E 4.1032 8.4777 118.7463 59.0934 29.2312 179.8631 53 L 3.8771 7.4571 116.0338 55.6295 41.7932 177.9134 *55 H 4.9237 8.1528 117.5357 56.1606 30.4822 175.7903 56 A 4.2271 7.9045 118.5242 52.7497 17.5517 177.5590 *58 K 4.0963 8.0249 118.3248 57.8867 33.9204 177.2445 *60 F 4.7691 8.0699 120.4062 57.9195 41.0744 176.7307 61 D 4.5206 8.3142 119.8083 57.2018 40.5702 178.4827 62 F 3.9427 8.1151 120.8525 61.1339 39.3123 177.2466 63 V 3.2891 7.7287 117.6706 66.0516 31.3071 177.8781 64 S 4.4104 7.3665 114.0358 60.3138 62.8186 175.9874 65 E 3.8959 7.6689 122.2280 58.5565 29.4453 177.9925 66 R 3.9494 7.2265 115.8779 56.3335 30.3914 177.2576 67 G 3.8039 7.7177 107.5160 44.8757 0.0000 174.0013 68 G 3.8434 7.6311 109.2397 44.1567 0.0000 172.2484 69 R 4.3120 7.9622 118.2247 54.0288 32.3797 174.9023 70 V 4.2198 8.0401 124.7141 61.5792 31.6923 174.7495 71 K 4.2258 8.3986 128.9556 54.8626 33.0964 175.4027 72 L 4.4592 8.1044 126.1643 53.7362 42.9426 175.4953 73 Y 4.6756 8.1385 119.2235 55.3643 40.9225 175.3504 74 A 4.0531 8.5909 123.8559 52.8093 18.8741 177.2808 75 V 4.2663 8.0554 120.4879 60.8324 32.5381 175.8121 76 E 4.0536 8.7944 127.2634 56.1251 29.8753 176.4722 77 E 4.0553 9.0159 123.6275 56.5254 29.8926 174.8969 78 P 4.9891 0.0000 0.0000 60.4693 33.1741 173.4473 79 P 4.3542 0.0000 0.0000 63.0265 31.4991 176.1452 80 S 4.6544 7.7023 109.9162 56.2608 64.4831 173.7140 81 E 4.6044 6.9497 118.5661 54.1920 32.8625 174.7239 82 W 4.7722 7.4487 118.9771 54.7926 33.1068 176.3689 83 D 4.5513 8.8552 121.3781 57.2469 40.8801 176.7641 84 S 4.8066 7.3899 114.1757 56.7340 67.3274 174.7062 85 P 4.5793 0.0000 0.0000 65.6894 30.9452 178.6970 86 L 4.0464 8.0307 118.4804 58.2562 42.0776 178.8073 87 A 4.2232 8.1188 120.0308 55.0298 18.2472 179.5233 88 A 3.3972 8.0243 119.2159 55.1305 18.3810 179.8440 89 F 3.9267 8.3633 115.9443 60.1718 39.0671 177.9005 90 E 4.1630 8.8610 119.0580 59.7984 29.1910 178.8519 91 H 4.3122 8.8274 118.6805 59.1597 29.8960 177.2537 92 V 3.6945 8.1395 120.5453 66.3167 31.2651 177.0775 93 Y 4.2930 8.6493 119.4392 61.0778 38.6127 178.1027 94 E 3.7482 8.3722 119.8747 59.4299 29.7490 178.1789 95 H 4.2323 8.7311 118.6699 59.2777 29.8395 177.1915 96 E 4.0946 8.4619 120.6580 59.3774 29.3204 179.3270 97 V 3.4319 7.7889 118.4948 65.9593 31.4309 177.9579 98 N 4.2953 8.0394 116.3693 56.1430 38.4265 177.3884 99 V 3.6142 7.8742 119.6887 66.3391 31.5541 177.9843 100 T 3.7794 8.0946 115.4169 66.6804 68.3791 176.0223 101 K 3.7869 7.8992 121.2470 60.0436 32.0635 178.7954 102 R 3.9588 7.9866 117.8653 59.3429 29.9191 179.1504 103 I 3.7785 7.8772 119.6793 64.6394 37.0618 178.2040 104 H 4.2930 8.7828 117.5759 58.9461 28.2601 177.7330 105 E 4.0560 8.1685 119.7105 59.3204 29.3442 179.0279 106 L 4.1781 7.8186 118.3959 57.7237 41.7344 179.3499 107 V 3.9261 7.8347 117.6371 65.8245 31.5446 178.0332 108 E 4.3221 7.8808 116.4881 56.4806 29.8185 177.1832 *110 A 4.2130 7.8627 119.5179 52.3424 20.2766 179.4677 *112 Q 4.2446 8.1917 119.4011 57.4842 30.4588 176.4418 113 E 4.2188 8.1507 113.4624 55.7613 29.9862 176.1645 114 K 3.5122 7.7503 116.8156 57.5450 29.7582 176.6642 115 D 4.5206 7.7787 119.1355 53.0273 38.7212 175.3266 116 F 4.6559 7.7628 122.7062 59.9613 39.4467 176.4316 117 A 4.2190 8.2593 120.0226 55.8853 18.2996 179.7688 118 T 4.1723 8.4802 114.1198 66.7390 68.2686 176.3994 119 Y 4.1906 8.2625 120.9760 60.8044 39.1706 177.5300 120 N 4.3986 8.7447 118.0567 56.6813 39.1913 176.2798 121 F 3.9552 8.3102 122.0713 61.5169 39.3077 176.8498 122 L 4.1913 7.9132 116.9989 56.6489 41.4667 179.1379 123 Q 3.9269 7.9370 118.7769 58.1949 28.4534 178.1967 124 W 3.8949 7.6413 128.4509 60.6882 30.6427 177.6585 125 Y 4.0243 8.2125 116.5545 60.5288 37.0051 178.4154 126 V 3.5796 7.6462 118.2180 65.9810 31.8006 177.4834 127 A 3.9876 7.8567 120.4860 54.9509 18.0932 179.1789 128 E 3.4584 7.8910 118.2339 59.4278 29.5857 179.1646 129 Q 4.0014 8.2220 117.9857 58.4155 28.6834 178.8041 130 V 3.5534 7.3942 119.6422 66.0263 31.5206 177.6562 131 E 3.9012 8.0060 118.3529 59.2440 29.5725 178.1250 132 E 4.0281 8.4384 118.9909 59.7141 29.5762 179.4269 133 E 4.1224 8.3210 118.0168 59.4715 29.5525 179.2933 134 A 4.1024 8.0534 120.7394 55.3328 18.1641 179.8808 135 S 4.1368 8.4721 113.5946 61.6409 62.8303 176.8819 136 A 4.3242 8.1551 123.0690 55.0670 18.2193 179.4092 137 L 3.6186 8.5366 119.2766 58.4336 42.0973 178.5584 138 D 4.3449 8.1518 118.9040 57.9449 40.7897 179.4196 139 I 3.4874 7.3214 118.3772 63.6882 37.0062 178.4734 140 V 3.5474 7.9480 119.6272 66.0876 31.2394 177.9136 141 E 3.8774 8.6244 118.3516 59.4102 29.3365 179.3478 142 K 3.8412 8.1418 118.6745 59.6731 31.9436 179.1709 143 L 4.1858 7.6509 117.1199 56.8617 41.9624 179.3323 144 R 4.1054 7.7854 118.7997 59.0061 29.9504 178.5120 145 L 3.9899 8.0092 119.1919 57.9691 42.3218 178.5677 146 I 3.9955 7.9302 119.1534 59.7729 37.2595 179.8299 147 G 3.8142 7.9014 104.8947 46.7706 0.0000 174.7678 148 E 4.2980 9.0857 123.8911 56.2892 30.7769 175.7375 149 D 4.4815 8.0569 119.5893 53.8768 41.7163 176.4284 150 K 4.2113 8.5609 127.3785 58.5842 32.3670 179.4053 151 R 4.0088 8.1087 118.4766 58.9377 29.9730 178.6113 152 A 4.1166 8.1335 120.2531 54.6064 18.5595 179.1899 153 L 4.0181 7.8378 118.6336 58.5241 42.2180 179.3403 154 L 4.1084 8.0496 118.8137 57.4426 41.5563 179.2713 155 F 4.0574 8.0705 120.5363 61.3037 39.3857 177.0508 156 L 3.9292 8.2722 119.8834 57.8703 41.7947 178.4158 157 D 3.9939 8.2191 118.4560 57.0709 40.7103 178.1461 158 K 3.8860 7.9506 120.1644 59.2733 32.1119 178.7481 159 E 3.7745 7.6840 118.9305 59.2595 29.2305 179.2567 160 L 4.0124 7.6573 118.9462 57.0864 41.3906 179.0542 161 S 4.3205 7.2770 112.1278 60.0509 63.2034 175.5376 162 L 4.1610 7.6384 121.8577 55.2255 42.0288 177.1095 163 R 4.0143 7.2025 119.6406 56.3036 30.6921 176.2359 164 Q 4.1871 8.3887 122.0057 56.1299 29.4254 175.3447 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 4.31 0.00 3.81 3.91 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 4 I 7.57 3.47 1.78 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 1.44 1.22 0.81 0.00 0.00 5 S 9.18 4.44 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 8.70 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 8.16 3.67 0.00 1.78 1.82 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.48 7.81 *9 V 7.80 3.98 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 0.96 0.00 0.00 0.92 0.00 0.00 10 E 8.61 3.97 0.00 2.06 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 0.00 2.32 2.50 0.00 11 A 7.94 3.99 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 7.89 3.97 0.00 1.89 1.80 1.05 0.82 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 13 N 8.61 4.54 0.00 3.02 3.26 0.00 0.00 7.07 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 14 R 8.34 3.90 0.00 2.02 1.92 0.00 2.98 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 15 Q 8.34 4.01 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 16 I 8.30 3.75 2.18 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 1.73 0.70 1.07 0.00 0.00 17 N 8.41 4.34 0.00 3.06 3.10 0.00 0.00 7.18 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 18 A 8.42 4.25 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 19 E 8.94 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 2.64 2.67 0.00 20 I 8.21 3.78 2.07 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 1.39 0.98 0.92 0.00 0.00 21 Y 8.76 4.21 0.00 3.10 3.22 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 22 S 8.41 3.60 0.00 4.14 3.81 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 0.00 0.00 0.00 0.00 23 A 8.05 4.26 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.22 4.26 0.00 3.21 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 25 L 7.58 3.71 0.00 0.82 1.11 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.31 4.46 0.00 3.26 2.98 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 0.00 0.00 0.00 27 L 8.22 3.94 0.00 1.08 1.41 0.08 -0.31 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 28 S 7.68 4.00 0.00 3.93 4.07 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 0.00 0.00 0.00 *30 A 7.98 4.59 1.48 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 0.00 0.00 31 S 8.00 4.10 0.00 3.92 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 32 Y 8.22 4.21 0.00 3.24 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 33 F 8.11 4.16 0.00 3.20 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 34 D 8.38 4.45 0.00 2.92 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 35 S 7.97 4.36 0.00 4.02 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 36 I 6.88 4.28 1.75 0.00 0.00 0.31 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 0.58 0.69 0.00 0.00 37 G 7.86 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 38 L 7.69 4.69 0.00 1.74 1.81 0.67 0.85 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 39 K 8.30 4.33 0.00 1.79 1.87 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.53 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 0.00 0.00 0.00 41 F 8.25 3.81 0.00 2.39 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 7.84 4.45 0.00 4.14 4.20 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 43 N 8.24 4.53 0.00 2.91 3.02 0.00 0.00 6.91 7.56 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 44 W 7.97 4.24 0.00 3.47 3.22 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 *46 R 7.95 4.38 0.00 2.14 2.12 0.00 3.25 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 47 V 8.13 3.55 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 0.81 0.00 0.00 0.86 0.00 0.00 48 Q 7.78 3.81 0.00 1.41 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 1.54 2.05 0.00 49 W 8.21 4.34 0.00 3.74 3.02 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 50 Q 7.71 3.50 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 51 E 8.18 3.97 0.00 1.78 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 2.07 2.31 0.00 52 E 8.48 4.10 0.00 2.10 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 0.00 2.69 2.91 0.00 53 L 7.46 3.88 0.00 1.47 1.42 0.65 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.15 4.92 0.00 3.56 3.76 0.00 5.72 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 7.90 4.23 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 *58 K 8.02 4.10 0.00 1.66 1.71 0.00 0.67 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 1.47 1.35 7.81 *60 F 8.07 4.77 0.00 3.03 2.92 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 61 D 8.31 4.52 0.00 2.98 2.77 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 62 F 8.12 3.94 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.29 1.91 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 0.89 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.08 0.00 0.00 141 E 8.62 3.88 0.00 2.01 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 2.43 2.42 0.00 142 K 8.14 3.84 0.00 1.77 1.80 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 143 L 7.65 4.19 0.00 1.81 1.74 0.92 1.09 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 0.00 144 R 7.79 4.11 0.00 2.03 1.95 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 145 L 8.01 3.99 0.00 1.68 1.89 0.89 1.25 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 0.00 146 I 7.93 4.00 2.00 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 1.47 0.77 0.98 0.00 0.00 147 G 7.90 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 9.09 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 2.24 2.22 0.00 149 D 8.06 4.48 0.00 2.72 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 0.00 150 K 8.56 4.21 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 151 R 8.11 4.01 0.00 2.07 1.98 0.00 3.12 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 152 A 8.13 4.12 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 0.00 153 L 7.84 4.02 0.00 1.81 1.90 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.05 4.11 0.00 1.82 1.75 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.07 4.06 0.00 3.13 3.22 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 0.00 156 L 8.27 3.93 0.00 1.92 1.89 0.70 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.22 3.99 0.00 3.24 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 0.00 158 K 7.95 3.89 0.00 1.86 1.55 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.42 7.81 159 E 7.68 3.77 0.00 1.83 1.77 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 2.09 1.78 0.00 160 L 7.66 4.01 0.00 1.45 1.69 0.58 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.28 4.32 0.00 4.01 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 0.00 162 L 7.64 4.16 0.00 1.88 1.71 0.86 0.66 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 0.00 163 R 7.20 4.01 0.00 1.74 1.93 0.00 2.66 0.00 0.00 2.71 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 164 Q 8.39 4.19 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.