NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3277 8.3344 115.2806 57.6556 62.4551 172.7558 4 I 3.6157 8.0136 128.6040 58.8710 38.3957 174.3677 5 S 4.5434 9.1457 123.4111 57.3719 65.3950 173.6465 6 E 4.0521 8.6965 121.0849 59.6345 29.5169 180.3603 7 K 4.1852 7.4662 116.4208 56.9268 31.8401 178.5021 *9 V 3.9585 7.9666 118.1693 62.4166 33.2948 176.8512 10 E 3.9675 8.4730 119.8014 59.4897 29.4117 178.6825 11 A 4.0108 8.1894 120.6620 55.2079 18.3309 179.6037 12 L 4.0737 7.8017 117.0392 57.8226 41.7391 179.1814 13 N 4.4668 8.6823 117.0800 56.3400 38.4785 177.6584 14 R 4.0164 8.3803 119.7357 59.3389 30.0891 178.9170 15 Q 4.0519 8.2073 119.4226 58.9438 29.0266 178.0284 16 I 3.8052 8.2784 121.5794 64.4322 37.1101 177.7288 17 N 4.4107 8.4091 117.5341 56.8506 38.7505 176.7891 18 A 4.2176 8.2900 122.0693 55.2535 18.4429 179.5014 19 E 4.0749 8.8352 117.7327 59.5648 29.5384 179.6132 20 I 3.8170 8.1124 120.1003 64.2572 36.6918 177.6083 21 Y 4.0355 8.5106 120.8925 60.9309 38.6120 178.3290 22 S 3.7425 8.4854 115.9214 61.5865 62.8903 176.6307 23 A 4.2062 8.1269 123.1913 55.5265 18.1222 179.1033 24 Y 4.3309 8.0880 118.0219 60.4836 38.6637 177.2429 25 L 3.6763 7.6509 120.8809 58.5823 42.1210 178.4944 26 Y 4.4860 7.1321 114.9937 60.7160 38.1832 177.5037 27 L 3.9584 8.1609 121.7914 57.7927 41.9319 179.7112 28 S 4.0621 7.9399 111.9799 58.2862 62.2118 175.7452 *30 A 4.4807 7.9886 124.0695 51.8858 20.5526 179.7891 31 S 4.0846 8.0443 109.7529 61.5865 62.0113 175.5083 32 Y 4.1377 8.3587 122.4573 61.0996 38.6804 178.4245 33 F 3.9668 8.0269 117.9149 60.2695 39.0987 176.9105 34 D 4.3999 8.6001 118.4985 57.4856 40.8026 178.6311 35 S 4.2408 7.9153 113.6150 60.3078 62.9187 175.4335 36 I 4.2834 6.8602 114.5814 60.2771 37.7938 176.6286 37 G 3.9215 7.8541 107.6836 46.5615 0.0000 175.7416 38 L 4.4957 7.4583 121.0616 53.5900 40.0691 177.1004 39 K 4.2216 8.3037 123.4670 58.8168 32.4349 178.8061 40 G 4.0199 8.5329 107.7255 48.1487 0.0000 175.8119 41 F 3.8072 8.4384 118.7678 60.0753 38.9268 177.3054 42 S 4.4639 8.0827 113.7984 61.8480 63.0363 175.9807 43 N 4.5428 8.2719 119.4723 56.3423 38.6458 177.2702 44 W 3.9940 8.1147 126.8869 58.3141 30.8245 177.5288 *46 R 4.4730 7.9779 118.3796 55.8436 31.7537 178.1518 47 V 3.6211 7.9043 117.0975 65.8311 31.4051 177.9231 48 Q 3.7003 7.9654 119.4706 58.7428 28.7892 178.0190 49 W 4.4576 8.3261 129.0623 60.5113 30.5925 177.8860 50 Q 3.5611 8.0255 117.3271 58.8041 28.2084 178.2625 51 E 4.0201 8.1073 118.8932 59.4283 29.7505 178.9081 52 E 4.0650 8.6081 119.0032 59.0552 29.2689 179.5137 53 L 4.2455 7.1774 117.4016 55.0648 41.8167 178.1924 *55 H 4.9397 8.1663 116.6602 56.2113 30.4914 175.8124 56 A 4.1091 8.1062 116.6982 53.4029 17.7240 177.6640 *58 K 4.1493 7.9992 117.8456 57.6009 33.6917 177.0526 *60 F 4.6096 7.9892 120.8055 58.0642 41.1207 176.8248 61 D 4.4686 8.2754 119.8544 57.0460 40.6752 178.1955 62 F 3.7225 8.3415 121.3506 61.2181 39.2579 177.1578 63 V 3.2444 7.6401 117.1526 66.1475 31.1439 177.7955 64 S 4.2916 7.4644 114.0162 60.6807 61.9755 175.5628 65 E 3.7838 8.1342 121.6130 59.0982 29.3968 178.2535 66 R 4.0014 7.2631 115.3221 56.2195 30.3161 177.3927 67 G 3.7933 8.0096 108.0129 45.0963 0.0000 174.1296 68 G 3.7134 7.7952 109.0741 44.6054 0.0000 172.8852 69 R 4.3537 8.0168 120.1199 54.0790 31.1771 175.9459 70 V 4.0473 7.9196 125.0996 61.6032 32.0262 174.6547 71 K 4.3679 8.3206 128.1201 54.3832 33.9278 174.8226 72 L 4.5121 8.0482 125.3997 53.3224 43.2903 175.4630 73 Y 4.7676 8.1472 119.3862 55.3772 40.8185 175.2596 74 A 4.0416 8.6237 123.6762 52.9662 18.7934 177.1758 75 V 4.3550 8.1567 121.1944 61.1563 32.8854 175.7459 76 E 4.3479 8.7667 126.5775 55.4782 30.2713 176.1040 77 E 4.1758 8.7412 122.5828 55.9089 30.0621 175.0544 78 P 4.9893 0.0000 0.0000 60.1331 32.8413 173.9144 79 P 4.3316 0.0000 0.0000 63.0692 31.5174 176.1742 80 S 4.7693 7.8573 110.7539 56.7010 64.6263 173.8629 81 E 4.4750 6.8319 119.3542 54.1030 32.1488 174.7105 82 W 4.5697 7.2359 120.5453 54.3760 32.8210 176.3419 83 D 4.4956 8.8048 120.3991 57.4587 40.6475 176.8496 84 S 4.7869 7.2441 110.6227 56.7647 67.2384 175.0254 85 P 4.5759 0.0000 0.0000 65.6348 30.8862 178.4747 86 L 4.0159 8.1233 118.4524 58.4550 42.0202 178.8592 87 A 4.2298 8.2880 120.1979 55.0350 18.2715 179.4902 88 A 3.2747 8.1087 119.5172 55.2280 18.4379 179.8048 89 F 3.9007 8.4067 115.9606 60.0418 39.0252 178.0554 90 E 4.1727 8.7296 119.1112 59.6355 29.1487 178.7293 91 H 4.3210 8.4661 118.4213 59.1463 29.8922 177.3515 92 V 3.7749 7.9045 120.1262 66.3135 31.2534 177.3784 93 Y 4.1522 8.2581 119.0171 60.9742 38.7488 177.9254 94 E 3.8759 8.4731 119.5478 59.4645 29.4428 178.8396 95 H 4.2361 8.7319 118.7568 59.4104 29.9352 177.2851 96 E 4.0356 8.5526 120.5729 59.2147 29.3130 179.2741 97 V 3.7189 7.7378 120.0089 65.3814 31.4942 177.5786 98 N 4.2762 8.1718 116.6203 56.7403 38.7050 176.9726 99 V 3.6303 7.9464 119.7945 66.1507 31.4914 178.1117 100 T 3.8594 8.2185 115.9679 66.5033 68.3326 176.1675 101 K 3.8469 8.0264 121.4859 59.7404 32.1151 178.6250 102 R 3.8863 8.0346 118.6427 59.5540 29.9604 178.4821 103 I 3.6640 8.0591 119.8700 64.7558 37.0754 178.1254 104 H 4.0999 8.4702 117.1713 58.9200 28.2722 177.7516 105 E 4.0613 8.0985 119.6456 59.1831 29.3115 179.0466 106 L 4.1509 7.8940 118.5199 57.7402 41.7700 179.3103 107 V 3.8601 7.7655 117.1490 65.8996 31.5704 178.9208 108 E 4.3030 8.0753 116.3459 56.3365 29.6451 177.3646 *110 A 4.2152 7.8382 119.3846 52.3347 20.3013 179.2656 *112 Q 4.2938 8.1367 118.9373 57.3537 30.4490 176.2720 113 E 4.2572 8.1804 113.3752 55.5989 29.8502 176.0376 114 K 3.5287 7.6938 116.8752 57.5855 29.6807 176.7059 115 D 4.4969 8.0124 119.3868 53.0760 39.2753 175.1097 116 F 4.6651 7.7339 123.1563 59.9182 39.3409 176.6247 117 A 4.2226 8.1895 120.3075 55.5548 18.2419 179.6818 118 T 3.9720 8.5423 114.4331 66.6733 68.2951 176.2713 119 Y 4.0312 8.2049 120.7933 61.0069 39.3114 177.7113 120 N 4.5399 8.7251 117.3758 56.4079 38.7767 177.2590 121 F 4.1175 8.4109 122.0224 61.1971 39.4295 177.1621 122 L 3.9901 8.1271 118.1778 57.1297 41.3601 179.2542 123 Q 3.8589 7.6259 117.8553 58.0495 28.4177 178.2715 124 W 3.8924 7.9172 129.7581 60.6082 30.5861 177.6254 125 Y 3.6618 7.9336 116.2597 60.5304 37.3595 177.8877 126 V 3.4561 7.8660 119.1690 66.1696 31.1496 178.0736 127 A 3.8529 7.6536 120.2054 54.9815 18.1694 179.2401 128 E 3.4419 7.6524 117.9533 59.1248 29.4791 179.1237 129 Q 3.9634 8.1499 118.6575 58.5480 28.7450 178.3883 130 V 3.5894 7.4699 119.0531 66.3748 31.5106 178.0552 131 E 3.9864 7.7511 117.3628 59.2692 29.2767 179.1519 132 E 4.0219 8.2651 118.6275 59.5016 29.1377 179.3014 133 E 4.1099 8.3653 118.1733 59.5245 29.6286 179.2685 134 A 4.1400 8.1317 120.7241 55.3499 18.3293 179.9126 135 S 4.1405 8.6830 113.7866 61.5979 62.8617 176.7402 136 A 4.1798 8.3620 123.4581 55.1952 18.1613 179.2517 137 L 3.6086 8.3684 119.1734 58.4399 42.1064 178.6727 138 D 4.2604 8.1324 117.7495 57.4539 41.0840 178.3857 139 I 3.4270 7.4445 120.0751 63.8637 36.8858 178.2936 140 V 3.5541 7.8765 119.4912 66.2816 31.3306 177.9238 141 E 3.8986 8.3442 118.3407 59.3682 29.2686 179.5669 142 K 3.9262 8.0630 118.4462 59.5281 31.9784 179.4569 143 L 4.1005 7.9596 119.1409 57.4648 41.2551 179.8033 144 R 3.9114 7.8686 117.8638 59.1415 30.1004 178.3588 145 L 4.0739 7.6230 118.9245 58.2456 42.3287 178.8356 146 I 3.8594 7.8848 120.0169 61.4907 37.1867 178.2272 147 G 3.7743 8.1621 106.4988 47.1909 0.0000 174.0065 148 E 4.4123 8.8802 122.8636 55.6720 29.7996 175.4058 149 D 4.4375 8.0881 120.1842 53.9515 41.6637 176.8138 150 K 4.0082 8.5853 127.9031 59.4656 32.1566 179.2202 151 R 3.9045 8.0808 118.2906 59.4509 30.0975 178.2288 152 A 4.0239 8.5627 120.6956 54.9988 18.2753 179.2932 153 L 4.0020 8.0930 118.8439 58.4235 42.1435 179.3130 154 L 4.0324 8.2008 118.9568 57.5888 41.5050 178.9549 155 F 3.7920 8.5313 120.9781 61.4382 39.2478 177.0816 156 L 3.9246 8.2059 119.6920 58.1356 41.9065 178.3160 157 D 4.1491 8.4059 118.2587 57.0810 40.7883 178.2755 158 K 3.8451 8.0420 120.3052 59.3101 32.2430 178.4181 159 E 3.7959 7.8715 118.9821 59.7327 29.4906 179.5633 160 L 4.0887 7.8553 118.2942 57.3325 41.6700 179.3138 161 S 4.1478 7.6345 115.1743 61.6203 62.5257 176.1522 162 L 4.2803 7.5959 119.2197 54.9176 42.0251 177.3684 163 R 4.0326 7.3521 119.9453 56.2330 30.7007 176.2192 164 Q 4.1789 8.3925 122.1972 56.1254 29.4248 175.3186 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 4.33 0.00 3.81 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 4 I 8.01 3.62 1.78 0.00 0.00 0.83 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 1.18 0.80 0.00 0.00 5 S 9.15 4.54 0.00 4.00 3.84 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 6 E 8.70 4.05 0.00 2.01 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 2.23 0.00 7 K 7.47 4.19 0.00 1.81 1.77 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *9 V 7.97 3.96 2.19 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 0.93 0.00 0.00 0.93 0.00 0.00 10 E 8.47 3.97 0.00 2.16 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 2.33 2.41 0.00 11 A 8.19 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 7.80 4.07 0.00 1.74 1.79 1.07 0.80 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 13 N 8.68 4.47 0.00 3.05 3.03 0.00 0.00 6.97 7.20 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 14 R 8.38 4.02 0.00 1.98 1.95 0.00 3.02 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.73 0.00 15 Q 8.21 4.05 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 16 I 8.28 3.81 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.91 1.08 0.00 0.00 17 N 8.41 4.41 0.00 3.10 3.03 0.00 0.00 7.14 8.68 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 18 A 8.29 4.22 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 19 E 8.84 4.07 0.00 2.21 2.32 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 2.68 2.67 0.00 20 I 8.11 3.82 2.08 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 1.41 1.08 0.92 0.00 0.00 21 Y 8.51 4.04 0.00 3.22 3.27 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 22 S 8.49 3.74 0.00 4.15 3.93 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 23 A 8.13 4.21 1.52 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 24 Y 8.09 4.33 0.00 3.24 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 25 L 7.65 3.68 0.00 0.94 1.13 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.13 4.49 0.00 3.26 3.12 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 27 L 8.16 3.96 0.00 1.18 1.46 0.22 -0.16 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 7.94 4.06 0.00 3.74 4.01 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 *30 A 7.99 4.48 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 8.04 4.08 0.00 3.91 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 32 Y 8.36 4.14 0.00 3.46 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 33 F 8.03 3.97 0.00 3.28 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 8.60 4.40 0.00 2.88 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 35 S 7.92 4.24 0.00 4.05 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 36 I 6.86 4.28 1.73 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.65 0.00 0.00 37 G 7.85 3.92 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 0.00 0.00 0.00 38 L 7.46 4.50 0.00 1.81 1.82 0.57 0.67 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 39 K 8.30 4.22 0.00 1.79 1.89 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 G 8.53 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 0.00 0.00 0.00 41 F 8.44 3.81 0.00 2.67 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 0.00 0.00 0.00 0.00 42 S 8.08 4.46 0.00 4.00 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 43 N 8.27 4.54 0.00 2.81 3.03 0.00 0.00 6.91 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 44 W 8.11 3.99 0.00 3.44 3.19 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 *46 R 7.98 4.47 0.00 2.13 2.15 0.00 3.27 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 47 V 7.90 3.62 1.95 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 0.89 0.00 0.00 0.98 0.00 0.00 48 Q 7.97 3.70 0.00 1.64 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 1.57 2.22 0.00 49 W 8.33 4.46 0.00 3.81 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 50 Q 8.03 3.56 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 51 E 8.11 4.02 0.00 1.89 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 0.00 2.28 2.38 0.00 52 E 8.61 4.06 0.00 1.99 2.25 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 2.77 2.81 0.00 53 L 7.18 4.25 0.00 1.45 1.39 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.17 4.94 0.00 3.53 3.76 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 8.11 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.15 0.00 1.73 2.11 0.00 0.77 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.38 7.81 *60 F 7.99 4.61 0.00 3.33 2.99 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 0.00 0.00 0.00 61 D 8.28 4.47 0.00 3.00 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 62 F 8.34 3.72 0.00 2.47 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 0.00 0.00 0.00 0.00 63 V 7.64 3.24 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 0.80 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 141 E 8.34 3.90 0.00 2.08 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 2.25 2.52 0.00 142 K 8.06 3.93 0.00 1.83 1.79 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.52 7.81 143 L 7.96 4.10 0.00 1.89 1.74 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.87 3.91 0.00 1.91 1.98 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 145 L 7.62 4.07 0.00 1.90 1.73 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.88 3.86 2.09 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 1.47 0.73 0.98 0.00 0.00 147 G 8.16 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 0.00 148 E 8.88 4.41 0.00 1.96 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 2.23 2.21 0.00 149 D 8.09 4.44 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 8.59 4.01 0.00 1.82 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.45 7.81 151 R 8.08 3.90 0.00 1.89 2.06 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 152 A 8.56 4.02 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 0.00 153 L 8.09 4.00 0.00 1.89 1.87 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.20 4.03 0.00 1.95 1.74 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.53 3.79 0.00 3.29 3.27 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 0.00 156 L 8.21 3.92 0.00 1.88 1.90 0.72 1.03 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 0.00 157 D 8.41 4.15 0.00 3.18 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 0.00 158 K 8.04 3.85 0.00 1.81 1.57 0.00 1.39 0.00 0.00 1.38 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.36 7.81 159 E 7.87 3.80 0.00 2.04 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 2.20 2.10 0.00 160 L 7.86 4.09 0.00 1.51 1.66 0.58 -0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.63 4.15 0.00 3.88 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 0.00 162 L 7.60 4.28 0.00 1.82 1.68 0.87 0.83 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 7.35 4.03 0.00 1.83 1.77 0.00 2.50 0.00 0.00 2.59 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 164 Q 8.39 4.18 0.00 1.99 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.