NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3351 8.2649 123.5825 52.1673 19.5897 175.9515 3 Q 4.3922 8.1022 120.5193 52.0881 32.7382 171.8019 4 P 4.2350 0.0000 0.0000 63.2524 32.6184 176.1840 5 S 4.9789 8.4576 121.1245 56.6421 62.1205 172.7459 6 T 4.1799 8.2407 123.6183 63.3303 69.7678 173.6431 7 T 4.8544 8.3490 123.0698 62.9483 69.6782 173.7721 8 Y 4.7866 9.1854 123.9155 56.0393 41.9658 174.6090 9 K 4.9371 8.9663 121.9053 54.7028 34.8798 174.8586 10 F 5.3831 9.4073 128.0531 56.5558 41.7318 173.8958 11 E 4.7723 9.4298 126.5270 54.5839 31.8399 174.7147 12 L 4.8087 8.6501 128.1187 53.1607 44.6536 174.8970 13 N 5.2062 8.9491 124.9672 51.9879 40.1389 173.6763 14 L 4.9381 9.1267 127.5321 53.7005 44.2997 175.3418 15 T 4.6068 9.0088 123.6531 61.5847 69.9529 171.9661 16 D 4.5893 8.8401 126.0720 52.3907 41.4117 176.5693 17 L 4.1251 8.6855 127.0601 56.9826 42.1352 178.9048 18 D 4.4894 8.2380 117.9851 56.4787 40.9110 177.1445 19 R 4.3394 8.1769 115.3825 54.9997 31.5123 175.7633 20 G 3.8414 7.9882 105.1873 46.9142 0.0000 173.8389 21 V 4.4226 7.4993 118.7912 60.9501 34.3105 174.2869 22 Y 5.1437 8.7219 124.5762 56.5513 40.8820 174.4285 23 E 4.7768 9.1442 123.2753 54.7118 34.6570 174.6978 24 S 5.1297 8.6480 118.5522 56.9248 64.9456 173.7484 25 V 4.5982 8.9385 124.4853 60.9333 35.1958 174.1331 26 K 5.1605 8.7080 124.3186 54.7754 35.2383 175.5571 27 Q 4.7084 9.1888 122.4312 54.5362 33.2307 174.1577 28 T 4.9036 8.5843 119.2712 62.4995 70.2556 174.2450 29 I 4.4104 8.7173 126.1768 59.2813 40.9368 174.1926 30 A 4.6495 8.5450 128.6193 50.9251 20.2205 176.2760 31 R 4.4873 9.0339 124.5138 54.6451 31.6532 175.4331 32 H 4.5302 8.6927 126.6388 55.2298 30.6823 174.1805 33 P 4.1959 0.0000 0.0000 65.7155 31.2114 177.7805 34 S 4.2919 7.9492 111.6836 59.4013 63.2444 173.4739 35 E 4.2462 8.0223 122.8242 54.9401 29.3407 176.1921 36 T 4.2093 8.2258 116.5909 60.9753 69.8861 174.2746 37 E 3.9284 8.7057 121.7656 59.7053 29.9096 178.8026 38 E 3.8785 8.1981 117.7417 59.5085 29.8073 179.9534 39 R 3.8028 7.6999 115.6165 57.2345 29.2321 178.0406 *41 T 4.1590 7.9980 115.0129 63.0889 70.5972 176.4656 42 V 3.5473 7.7144 120.5128 66.0169 31.4076 178.2163 43 R 4.0579 8.0271 117.7804 59.3972 29.9052 179.0667 44 L 3.9900 7.7389 118.2160 57.6371 41.4715 179.3399 45 L 4.3053 8.4416 118.8978 57.8683 41.5545 179.3637 46 A 4.3302 8.4610 120.8383 55.3948 18.4918 178.8448 47 Y 4.0707 8.5392 117.8476 61.0597 38.5264 178.4751 48 A 4.2950 8.5248 121.5590 55.3151 18.3487 179.4328 49 F 4.2239 8.6007 118.2951 59.9157 39.3824 175.8115 50 W 4.8134 8.1295 117.4400 55.9070 29.8176 174.7376 51 Y 3.6768 7.2633 117.9626 57.5376 38.7307 175.2754 52 N 4.4514 6.7910 122.6997 51.6759 41.9484 174.8608 53 E 3.9217 8.4562 121.6711 59.0276 29.4030 177.7208 54 Q 4.2654 8.5333 117.4562 55.6248 29.3549 175.0565 55 L 4.3954 7.3625 121.3945 54.7157 42.7755 175.6549 56 A 4.9707 8.8730 126.8283 49.9086 22.9533 175.0337 57 F 4.4973 8.9256 118.9456 57.7316 39.8318 176.0812 58 G 3.7384 8.2982 111.1688 45.0439 0.0000 173.7050 59 R 4.3388 8.7705 118.2687 55.5403 31.4610 178.2799 60 G 3.7506 7.3995 109.2422 46.0057 0.0000 177.1710 61 L 4.0505 8.5543 123.2191 57.9448 40.2394 178.2834 62 S 4.0895 7.6529 112.7603 59.3754 63.6245 173.6791 63 D 4.5428 8.0155 121.3051 52.5567 43.0194 176.0948 64 V 3.7326 8.5511 120.9276 64.2710 31.6967 176.9104 65 D 4.8287 8.5822 117.7270 54.4812 41.0478 175.9156 66 E 4.0111 7.7941 118.8847 53.3842 32.6480 173.8923 67 P 4.6026 0.0000 0.0000 60.8529 33.3401 176.5801 68 A 3.9732 8.2737 121.0511 54.7373 19.1465 177.7925 69 L 5.1120 7.9687 113.6006 53.1857 46.7320 175.6594 70 W 5.5856 9.2876 117.4441 55.2840 32.1618 172.8622 71 E 5.0450 9.1163 123.1196 53.8135 31.0217 174.8013 72 K 5.1112 8.3519 125.8185 54.2600 35.4009 176.1791 73 S 4.4028 9.0580 117.9614 57.5419 63.8487 175.3355 74 L 3.9242 8.3083 120.0828 57.4572 41.3224 177.9781 75 D 4.5779 7.9794 116.7928 53.8734 40.7646 175.8572 76 D 4.3685 8.0680 117.2858 55.0029 40.2660 173.5567 77 R 4.5092 7.5268 115.8510 53.9578 31.8858 175.5861 78 V 4.1839 8.1409 121.3131 62.9386 32.0744 176.4512 79 L 4.3804 9.2614 128.8054 57.1187 43.4249 176.6211 80 H 5.2758 8.1082 118.5124 54.5448 33.5297 171.8515 81 W 4.9508 9.5812 135.0000 55.8194 32.9635 174.1514 82 I 4.8680 8.5097 129.0142 59.6381 39.1933 175.1068 83 E 4.9977 9.2068 126.4467 54.7964 32.7111 175.2697 84 V 4.7362 8.3144 113.0395 59.9290 35.7245 176.6912 85 G 3.6490 9.5544 108.3573 45.0677 0.0000 175.8627 86 Q 3.9286 7.7986 114.8900 53.3508 28.9697 173.2307 87 P 4.5071 0.0000 0.0000 62.5243 32.8287 177.2615 88 D 4.7408 8.5012 120.1476 52.6824 41.9771 177.2553 89 A 3.9104 8.2322 120.8066 55.0940 18.2068 179.5349 90 D 3.6504 7.8644 117.1460 57.2841 40.8282 178.8017 91 R 4.0071 8.4633 119.3086 59.4731 30.1526 178.4566 92 L 3.9766 7.8446 118.7599 58.0301 41.6786 179.6790 93 T 3.6876 7.7941 115.5662 66.5359 68.1674 176.8428 94 W 4.5246 7.6992 119.3058 59.8867 29.3842 178.2295 95 C 3.5762 8.3821 117.4155 62.4996 27.0914 176.2783 96 S 4.7314 7.8112 117.0032 60.8789 62.1616 176.7109 97 R 4.0682 7.3846 119.2876 58.4325 29.8798 177.5773 98 R 4.2486 7.9131 116.2581 57.0252 30.5737 175.8360 99 T 5.0283 7.1443 109.4839 59.4383 70.7029 172.9062 100 E 4.2646 8.1194 123.1283 58.2154 30.4986 176.7975 101 R 4.7092 8.1513 119.6302 54.7652 34.0135 173.9119 102 T 5.2606 9.0016 122.4874 61.9934 71.6583 173.3285 103 S 5.3004 9.2952 121.4780 56.6416 67.4942 172.7827 104 L 5.1255 9.2945 124.1290 53.5349 45.5414 175.2542 105 L 5.0412 8.9287 126.6945 53.4258 42.4640 175.7769 106 A 5.1056 9.2177 127.0974 51.0995 20.1785 175.4415 107 Y 4.8477 7.7520 116.8644 56.7075 41.4839 174.6144 108 G 3.6689 8.8174 106.8263 44.2975 0.0000 172.6630 109 S 4.1205 8.2471 113.2523 58.4959 62.4759 174.1792 110 L 4.6492 8.3758 126.6111 54.6177 42.2904 178.3679 111 R 4.2366 7.8594 120.7894 58.7819 29.9629 178.8643 112 V 3.6888 7.7406 117.2924 65.5960 31.6158 177.4610 113 W 4.1801 8.3025 127.9135 60.6148 30.2617 177.4701 114 E 3.7217 9.1417 117.9837 59.4397 28.6633 179.3261 115 G 3.5392 7.4811 104.5729 47.2573 0.0000 175.5670 116 K 4.0262 7.3777 119.9494 58.8806 32.5370 179.2322 117 V 3.4694 7.2599 118.3744 65.4970 31.3559 178.0365 118 I 3.5520 7.2514 119.4464 64.0318 36.7645 176.7186 119 P 4.3418 0.0000 0.0000 64.5319 31.2907 177.5207 120 A 4.3937 7.5615 118.0711 52.1458 19.4208 177.4903 121 I 4.3210 6.8873 109.0486 60.2402 38.1076 177.6052 122 K 3.8259 8.2026 122.1925 60.1803 31.7729 177.5095 123 N 4.6571 7.8881 112.1316 53.3769 38.9848 175.3676 124 L 4.1677 7.3989 118.9688 54.3609 42.3319 176.4482 125 K 4.2557 8.4819 121.3916 56.3367 33.7613 176.6330 126 N 4.0799 8.5634 123.0882 54.6626 37.2215 173.0927 127 V 4.8606 7.4626 116.3821 61.4832 34.1382 175.3015 128 N 5.5151 9.2027 124.3421 51.7322 42.6391 173.4277 129 I 5.3298 9.6011 123.9116 59.6557 41.2504 174.2914 130 A 4.8163 8.9676 127.9212 49.7818 22.5521 174.2767 131 A 5.0020 8.6395 122.0939 50.1457 21.8689 175.9692 132 V 4.2226 8.2178 122.1147 60.7024 32.6248 174.3951 133 P 4.3514 0.0000 0.0000 62.4956 32.1124 177.2966 134 Q 3.9868 8.6744 122.8459 58.9107 28.9984 178.1126 135 D 4.3207 8.0273 120.2058 56.6858 39.3581 179.0474 136 V 3.5940 7.6313 120.8999 63.6766 31.5212 177.8184 137 L 3.8145 7.6201 121.1540 58.0663 41.9182 178.8258 138 E 3.9262 8.3329 118.6797 59.2305 29.1336 179.4543 139 V 3.5018 7.2871 116.8494 66.0984 31.6834 177.7911 140 L 4.0368 7.8245 117.2111 57.5963 41.5049 178.8785 141 A 4.3607 7.8534 120.7754 52.0971 19.0394 178.0125 142 K 3.6035 7.4735 118.3878 58.1175 32.5488 174.7373 143 D 4.1628 8.7190 129.0462 53.4082 40.2835 170.9280 *145 P 4.2962 0.0000 0.0000 62.4757 32.4838 176.8418 146 R 3.5785 8.3369 117.1738 58.2800 31.2155 176.4213 147 V 4.6048 7.7641 118.6888 61.3428 32.9518 175.4100 148 I 4.3456 8.9646 130.9290 60.0223 38.5549 175.2175 149 K 5.0542 8.8361 127.3449 54.5361 34.0298 175.8039 150 W 5.3712 9.0980 125.3273 55.0134 32.7990 174.3483 151 D 5.3367 9.0944 124.3883 53.1843 42.3800 176.0096 152 V 5.1538 8.5869 123.5136 60.0531 35.7875 173.6816 *154 I 4.5812 8.0282 120.5462 61.3397 38.6601 175.4376 155 S 4.8348 8.9700 121.4633 57.8179 65.2137 173.6081 156 E 3.9251 10.3569 127.4392 57.5089 26.8919 175.9545 157 G 4.1371 9.1442 106.6132 45.7053 0.0000 174.1869 158 T 4.3056 7.7876 117.2664 62.2028 70.5856 173.8617 159 V 4.3708 7.9661 125.8441 61.3205 33.7527 174.3038 160 F 5.0388 8.7476 126.5658 55.8350 41.5111 174.3931 161 V 4.5463 8.6683 125.1240 61.3889 33.5293 174.3589 162 T 4.9501 9.2513 125.9244 62.2435 70.3609 173.5025 163 D 5.6067 8.6599 128.5150 51.9175 41.7868 175.8236 164 D 4.5395 9.0032 116.9178 55.9936 39.4944 176.7756 165 R 4.4503 9.5091 117.7759 55.4666 31.3635 175.3179 166 G 3.6076 6.9847 104.6223 44.0846 0.0000 171.4323 167 Q 4.7669 8.2745 121.9819 54.9028 30.3592 175.7359 168 H 4.9468 9.1820 123.9068 53.8943 32.0019 172.4893 169 E 4.4422 8.8327 124.3984 55.0635 30.7360 175.2800 170 V 3.9639 8.9013 129.1258 61.4281 33.1091 174.3907 171 Q 4.5176 8.2982 130.5575 54.2020 29.8395 174.8659 172 L 4.1253 8.2096 127.0899 54.4772 42.9742 176.5049 173 Q 4.3774 8.4778 124.8494 54.4746 30.3748 174.5291 174 W 4.6390 8.8250 127.5648 56.8029 29.2011 176.2343 175 L 4.5117 9.3217 126.0818 57.1638 42.2716 177.2434 176 T 4.5543 8.0999 111.2534 61.7803 70.7375 174.9515 177 G 3.9154 9.5182 114.4808 46.1918 0.0000 171.6746 178 E 3.2405 8.9631 119.3504 54.8675 32.5999 175.6489 179 R 4.4870 7.6502 119.3401 57.6983 30.3425 176.3728 180 G 4.0669 8.0149 110.1411 45.6760 0.0000 172.8211 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 2 A 8.26 4.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.10 4.39 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 4 P 0.00 4.23 0.00 2.05 2.08 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 5 S 8.46 4.98 0.00 4.01 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.24 4.18 4.45 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 0.99 0.00 0.00 7 T 8.35 4.85 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 1.18 0.00 0.00 8 Y 9.19 4.79 0.00 2.62 2.70 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 9 K 8.97 4.94 0.00 1.65 1.71 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.48 7.81 10 F 9.41 5.38 0.00 2.67 2.90 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 11 E 9.43 4.77 0.00 1.83 1.78 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 2.19 2.20 0.00 12 L 8.65 4.81 0.00 0.60 1.11 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.95 5.21 0.00 2.88 2.76 0.00 0.00 6.06 6.02 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 14 L 9.13 4.94 0.00 1.61 1.47 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 15 T 9.01 4.61 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 1.25 0.00 0.00 16 D 8.84 4.59 0.00 2.56 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 17 L 8.69 4.13 0.00 1.79 1.74 0.95 1.06 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 18 D 8.24 4.49 0.00 2.79 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 19 R 8.18 4.34 0.00 1.87 1.92 0.00 3.30 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 20 G 7.99 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 0.00 0.00 0.00 21 V 7.50 4.42 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 1.04 0.00 0.00 0.96 0.00 0.00 22 Y 8.72 5.14 0.00 2.81 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 23 E 9.14 4.78 0.00 1.49 1.59 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 2.17 2.16 0.00 24 S 8.65 5.13 0.00 3.72 3.75 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 25 V 8.94 4.60 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 1.16 0.00 0.00 0.74 0.00 0.00 26 K 8.71 5.16 0.00 1.65 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.41 7.81 27 Q 9.19 4.71 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.10 0.00 28 T 8.58 4.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 29 I 8.72 4.41 1.52 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.31 0.31 0.00 0.00 30 A 8.55 4.65 1.20 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 0.00 0.00 31 R 9.03 4.49 0.00 1.80 2.05 0.00 2.75 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.00 32 H 8.69 4.53 0.00 3.23 3.14 0.00 5.94 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.20 0.00 1.95 2.05 0.00 2.93 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.12 0.00 34 S 7.95 4.29 0.00 4.01 3.96 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 35 E 8.02 4.25 0.00 1.91 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 2.18 2.18 0.00 36 T 8.23 4.21 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 1.23 0.00 0.00 37 E 8.71 3.93 0.00 1.92 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 2.25 2.31 0.00 38 E 8.20 3.88 0.00 1.97 1.65 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 0.00 2.34 2.26 0.00 39 R 7.70 3.80 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 *41 T 8.00 4.16 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 V 7.71 3.55 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 1.11 0.00 0.00 0.43 0.00 0.00 43 R 8.03 4.06 0.00 1.86 2.22 0.00 3.45 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 44 L 7.74 3.99 0.00 1.45 0.71 -0.28 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.44 4.31 0.00 1.94 1.72 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.46 4.33 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 0.00 0.00 0.00 0.00 0.00 47 Y 8.54 4.07 0.00 3.27 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.52 4.29 1.66 0.00 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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 57 F 8.93 4.50 0.00 2.96 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 58 G 8.30 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 0.00 0.00 0.00 59 R 8.77 4.34 0.00 1.81 1.90 0.00 3.29 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 60 G 7.40 3.75 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 0.00 0.00 0.00 61 L 8.55 4.05 0.00 1.72 1.81 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.65 4.09 0.00 3.80 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 63 D 8.02 4.54 0.00 2.63 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 64 V 8.55 3.73 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 0.79 0.00 0.00 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3.98 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 74 L 8.31 3.92 0.00 1.63 1.76 0.90 1.00 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 75 D 7.98 4.58 0.00 2.64 2.66 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 0.00 0.00 0.00 0.00 76 D 8.07 4.37 0.00 2.73 2.71 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 77 R 7.53 4.51 0.00 1.91 1.81 0.00 3.16 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 78 V 8.14 4.18 2.50 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 1.45 0.00 0.00 1.19 0.00 0.00 79 L 9.26 4.38 0.00 1.72 1.69 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.11 5.28 0.00 3.16 3.07 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 9.58 4.95 0.00 3.58 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 90 D 7.86 3.65 0.00 2.72 2.17 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 91 R 8.46 4.01 0.00 1.96 2.12 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 92 L 7.84 3.98 0.00 1.84 1.69 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.79 3.69 3.75 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 0.92 0.00 0.00 94 W 7.70 4.52 0.00 3.39 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 95 C 8.38 3.58 0.00 2.58 1.29 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 0.00 96 S 7.81 4.73 0.00 4.02 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 97 R 7.38 4.07 0.00 2.05 2.05 0.00 3.37 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 98 R 7.91 4.25 0.00 1.58 1.97 0.00 3.07 0.00 0.00 2.81 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 99 T 7.14 5.03 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 1.38 0.00 0.00 100 E 8.12 4.26 0.00 2.11 2.12 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 2.31 2.26 0.00 101 R 8.15 4.71 0.00 1.77 1.76 0.00 2.94 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 102 T 9.00 5.26 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 1.29 0.00 0.00 103 S 9.30 5.30 0.00 2.94 3.23 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 0.00 0.00 0.00 104 L 9.29 5.13 0.00 1.78 1.60 1.03 0.89 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 0.00 105 L 8.93 5.04 0.00 1.77 1.65 1.00 0.37 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 0.00 106 A 9.22 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.75 4.85 0.00 2.84 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 0.00 108 G 8.82 3.67 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 0.00 0.00 0.00 109 S 8.25 4.12 0.00 3.83 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 0.00 110 L 8.38 4.65 0.00 1.76 1.85 0.82 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.86 4.24 0.00 1.92 2.01 0.00 3.47 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 112 V 7.74 3.69 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 1.06 0.00 0.00 0.95 0.00 0.00 113 W 8.30 4.18 0.00 3.41 3.32 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 0.00 114 E 9.14 3.72 0.00 2.25 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.36 0.00 115 G 7.48 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.38 4.03 0.00 1.63 1.71 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.37 7.81 117 V 7.26 3.47 0.67 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 0.60 0.00 0.00 0.14 0.00 0.00 118 I 7.25 3.55 1.86 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 1.48 1.23 0.88 0.00 0.00 119 P 0.00 4.34 0.00 1.93 2.05 0.00 3.54 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 2.11 2.08 0.00 120 A 7.56 4.39 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 0.00 121 I 6.89 4.32 1.82 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 1.50 0.66 0.85 0.00 0.00 122 K 8.20 3.83 0.00 1.73 1.91 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.40 7.81 123 N 7.89 4.66 0.00 2.67 2.82 0.00 0.00 6.93 7.85 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 0.00 124 L 7.40 4.17 0.00 1.77 1.57 0.87 0.73 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 0.00 125 K 8.48 4.26 0.00 1.73 1.74 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.40 7.81 126 N 8.56 4.08 0.00 2.91 2.87 0.00 0.00 6.71 7.71 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 0.00 127 V 7.46 4.86 2.12 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 0.94 0.00 0.00 0.94 0.00 0.00 128 N 9.20 5.52 0.00 2.94 3.25 0.00 0.00 6.43 6.99 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 0.00 129 I 9.60 5.33 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 1.15 0.00 0.00 130 A 8.97 4.82 -0.24 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 0.00 0.00 131 A 8.64 5.00 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 0.00 132 V 8.22 4.22 2.02 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 0.66 0.00 0.00 0.80 0.00 0.00 133 P 0.00 4.35 0.00 2.27 1.90 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 134 Q 8.67 3.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 135 D 8.03 4.32 0.00 2.96 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 0.00 136 V 7.63 3.59 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 0.73 0.00 0.00 0.82 0.00 0.00 137 L 7.62 3.81 0.00 1.70 1.80 0.79 0.78 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 0.00 138 E 8.33 3.93 0.00 2.21 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 0.00 2.31 2.41 0.00 139 V 7.29 3.50 2.10 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 0.57 0.00 0.00 0.93 0.00 0.00 140 L 7.82 4.04 0.00 1.71 1.78 0.63 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.85 4.36 1.24 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 0.00 0.00 142 K 7.47 3.60 0.00 1.97 1.76 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 143 D 8.72 4.16 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 P 0.00 4.30 0.00 2.24 2.15 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 146 R 8.34 3.58 0.00 1.62 1.75 0.00 2.35 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 147 V 7.76 4.60 2.09 0.00 0.00 0.00 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 0.91 0.00 0.00 148 I 8.96 4.35 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.44 0.00 0.00 149 K 8.84 5.05 0.00 1.71 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.48 7.81 150 W 9.10 5.37 0.00 3.39 3.08 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 0.00 151 D 9.09 5.34 0.00 2.72 2.62 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 0.00 152 V 8.59 5.15 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 1.45 0.00 0.00 1.18 0.00 0.00 *154 I 8.03 4.58 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.48 1.01 0.00 0.00 155 S 8.97 4.83 0.00 3.89 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 0.00 156 E 10.36 3.93 0.00 2.19 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 2.34 0.00 157 G 9.14 4.14 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 0.00 0.00 0.00 158 T 7.79 4.31 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 0.49 0.00 0.00 159 V 7.97 4.37 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 0.89 0.00 0.00 0.80 0.00 0.00 160 F 8.75 5.04 0.00 2.95 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 0.00 161 V 8.67 4.55 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 -0.38 0.00 0.00 0.44 0.00 0.00 162 T 9.25 4.95 4.25 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 1.20 0.00 0.00 163 D 8.66 5.61 0.00 3.07 2.87 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 0.00 0.00 0.00 164 D 9.00 4.54 0.00 2.86 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 0.00 165 R 9.51 4.45 0.00 1.92 2.02 0.00 3.18 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 166 G 6.98 3.61 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 0.00 0.00 0.00 167 Q 8.27 4.77 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 168 H 9.18 4.95 0.00 2.96 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.83 4.44 0.00 2.08 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 2.06 1.78 0.00 170 V 8.90 3.96 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 0.63 0.00 0.00 0.72 0.00 0.00 171 Q 8.30 4.52 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 172 L 8.21 4.13 0.00 1.19 0.92 -0.21 0.53 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 0.00 173 Q 8.48 4.38 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 174 W 8.82 4.64 0.00 3.33 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 0.00 175 L 9.32 4.51 0.00 1.76 1.86 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 176 T 8.10 4.55 4.34 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 1.46 0.00 0.00 177 G 9.52 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 0.00 178 E 8.96 3.24 0.00 1.55 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 2.09 2.18 0.00 179 R 7.65 4.49 0.00 2.06 1.93 0.00 2.61 0.00 0.00 2.89 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.00 180 G 8.01 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.