NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4313 8.1933 115.3569 58.0550 64.8311 175.8556 5 F 4.4241 7.7656 121.9594 61.1560 38.9457 175.3535 6 G 3.7172 9.0799 106.3859 47.9332 0.0000 175.2683 7 K 4.0283 8.0957 119.2219 59.1344 31.9141 178.8206 8 L 3.9215 7.5543 118.1477 57.8249 41.6206 179.2610 9 F 4.4731 8.2213 116.1627 58.7755 39.1101 177.7744 10 S 2.0000 7.8541 114.7547 60.6179 62.2422 176.6511 11 R 3.8371 7.2014 119.9718 58.1722 29.7918 177.2117 12 L 4.5470 7.2354 116.0024 54.1213 42.4291 176.8194 13 F 4.7913 7.8560 117.2433 57.2029 39.2662 174.3070 14 A 4.3505 7.8188 125.4778 52.0048 21.2723 176.6024 15 K 4.0870 8.7003 118.4091 59.1997 32.2841 178.6043 16 K 4.1277 7.8532 118.6932 56.1648 32.2884 176.3764 17 E 4.6043 8.6183 124.2115 56.3579 30.5765 175.7887 18 M 4.9604 9.1117 119.8698 53.6704 35.6807 173.9508 19 R 5.0799 8.5433 117.4573 54.4029 33.7118 174.9944 20 I 4.7762 8.1846 123.7638 59.5469 39.9507 174.6066 21 L 4.8862 8.7397 127.4852 53.6037 44.0469 175.4506 22 M 5.1322 9.0805 122.2389 54.0726 35.3368 174.5575 23 V 4.6942 8.7804 118.2273 57.7287 37.0822 174.8004 24 G 3.5464 7.8759 110.6416 44.6319 0.0000 171.8170 25 L 4.8896 7.3769 118.7222 53.5733 42.2298 176.5878 26 D 4.3437 8.3885 119.4738 55.9195 41.4670 176.3441 27 A 3.7518 8.8075 126.2126 52.4245 16.3260 178.6682 28 A 4.0128 7.6576 120.7915 55.3989 18.6898 178.4642 29 G 3.8858 8.3997 104.2028 45.7944 0.0000 176.0029 30 K 3.9131 8.3854 122.0229 59.6479 32.0943 179.3232 31 T 3.8558 7.8235 115.4643 66.7349 68.3810 176.7085 32 T 3.8923 7.8279 117.2131 66.6876 68.5508 176.4348 33 I 3.5509 7.7839 121.6045 64.2878 36.9121 177.9387 34 L 3.7453 7.7814 119.9556 58.6682 41.9491 178.2591 35 Y 4.2790 8.1331 119.0773 60.5231 38.4922 177.8039 36 K 3.9541 7.9635 118.7385 59.0564 32.1569 178.8971 37 L 3.6661 7.5888 118.8005 55.4031 42.0149 177.2405 38 K 3.6806 7.2420 116.9967 57.8567 30.1315 175.0940 39 L 4.4784 9.1353 113.1753 53.1919 42.3638 176.3761 40 G 4.4950 7.9412 105.1232 42.8227 0.0000 173.3596 41 E 4.0904 8.1965 120.4888 56.4025 29.9603 177.0133 42 I 4.3273 8.3141 123.6559 60.7949 38.1222 175.2260 43 V 4.3931 8.8096 128.0358 61.3623 33.8220 174.3068 44 T 5.0754 8.5309 124.6658 62.5251 69.8198 174.0759 45 T 4.6430 9.0357 116.0044 59.8440 72.6806 173.0680 46 I 4.8500 8.1368 121.6358 57.4956 36.3075 173.7274 47 P 4.3763 0.0000 0.0000 65.1611 32.1488 177.4475 48 T 4.6465 7.7152 111.9586 59.8035 70.3797 172.3814 49 I 3.7482 8.3501 126.5272 63.5706 37.2949 176.4497 50 G 3.9057 9.2216 113.1426 45.2120 0.0000 173.0362 51 F 4.8515 8.0933 122.5007 56.1765 39.4325 172.3699 52 N 4.7798 8.4203 124.0301 52.0777 39.6045 174.5424 53 V 4.5034 8.6337 124.2070 61.0200 34.5501 173.8426 54 E 5.1953 9.2211 127.3529 55.1069 31.9713 175.1273 55 T 5.2436 8.9160 119.8155 61.7907 73.0603 172.8849 56 V 4.8006 8.8509 125.2757 61.1889 34.2875 173.8630 57 E 5.1060 8.9853 127.3218 54.8980 31.3275 174.9301 58 Y 4.6507 9.0509 126.8054 56.1532 41.1124 176.1396 59 K 3.4508 7.7623 129.7980 57.8549 31.1350 176.0418 60 N 4.6731 8.5395 126.0987 53.7426 37.4192 173.3929 61 I 4.5383 8.0466 121.2682 59.9184 39.9831 174.5981 62 S 5.0478 8.5200 123.2440 56.7390 65.2164 173.4202 63 F 4.8269 9.2848 125.7648 57.1795 40.1256 175.0293 64 T 5.1395 9.0393 121.3592 61.6870 71.4877 173.4328 65 V 5.3471 9.3038 126.3837 59.7399 34.8162 174.2935 66 W 5.5444 7.9853 122.9124 55.4094 32.0304 172.8474 67 D 5.0570 8.9328 120.1956 53.6772 41.5310 176.5321 68 V 4.4953 8.6809 115.6402 60.1967 35.5242 176.6724 69 G 3.9800 8.8207 107.9377 46.8111 0.0000 174.2003 *84 N 4.7226 7.9590 117.9581 53.0334 40.4221 174.5901 85 T 4.6927 7.8334 114.4976 63.0871 69.2389 174.2645 86 Q 4.4811 8.9968 125.7629 56.5759 30.9480 175.9382 87 G 4.5029 7.8844 105.2954 44.4077 0.0000 171.2980 88 L 5.2151 9.2752 125.9063 53.0761 45.0791 174.8833 89 I 4.8976 9.0343 127.6145 59.6393 39.5113 174.2093 90 F 4.9135 9.3699 130.3048 56.3333 41.4814 173.9946 91 V 4.8311 7.9625 127.0313 61.2537 32.9630 174.9942 92 V 4.5130 8.7425 127.4509 60.9537 35.0905 173.9678 93 D 4.8239 8.6712 127.0109 53.8139 41.5093 177.0216 94 S 4.2578 9.2115 123.9759 60.8621 63.0607 175.5488 95 N 4.6150 8.3820 117.1789 53.9075 39.0355 174.9669 96 D 4.7850 7.6865 118.7279 53.3096 40.0464 176.4884 97 R 3.9944 8.0269 123.4557 58.5581 30.6943 178.6903 98 D 4.4613 7.7290 115.7981 56.1497 41.0994 177.1405 99 R 4.6378 7.8260 117.4821 55.6427 31.1051 178.0523 100 V 3.6711 7.6929 121.4695 64.7875 31.2674 178.6507 101 V 3.5824 7.7035 118.5140 65.6121 31.4722 177.3249 102 E 3.9065 8.2527 118.4595 59.2494 29.3654 178.5276 103 A 4.1657 8.2747 120.7960 55.1338 18.4684 179.2569 104 R 3.6837 8.3079 117.6604 59.9109 30.0338 178.3043 105 D 4.3360 8.2626 118.4711 57.5395 40.8406 178.8055 106 E 4.0291 8.4008 119.0625 59.1405 29.4456 179.1166 107 L 3.5271 7.8527 120.6804 58.4809 41.8293 178.9102 108 H 4.0511 8.0298 114.7521 58.3243 28.7524 177.3615 109 R 4.0593 8.1676 120.9382 59.8235 29.9330 178.2774 110 M 4.1106 8.1029 118.0822 58.6354 31.8910 178.8063 111 L 4.1784 7.8098 116.5963 57.0355 41.7773 178.7698 112 N 4.5550 7.7229 115.9731 54.4772 39.0391 175.6303 113 E 3.9927 7.7692 120.2887 56.8387 30.4023 177.7113 114 D 4.4203 8.9928 123.4042 57.6460 41.0622 178.5621 115 E 4.1236 8.2088 116.3652 58.3562 29.9327 177.3549 116 L 4.6468 7.8526 118.3273 54.3441 42.1734 178.1348 117 R 3.9249 7.8192 120.2748 59.3718 29.9504 177.3371 118 D 4.8507 7.9002 112.5525 53.7106 41.4660 176.0675 119 A 4.3803 7.7373 121.7441 51.9703 19.1972 178.1489 120 V 4.1111 8.5437 122.0753 62.5461 33.3082 174.4606 121 L 5.2855 9.1392 129.8148 53.3644 44.3958 174.4163 122 L 5.1571 9.1889 129.0110 53.3246 44.6654 174.8304 123 V 4.7559 8.7945 127.0921 61.5328 33.5667 174.3840 124 F 5.3984 9.1530 127.5110 56.4335 40.4282 175.2314 125 A 4.6708 9.2118 128.2099 51.1734 18.2145 176.0707 126 N 5.2062 9.1932 120.7215 52.3951 41.7742 174.2838 127 K 4.3389 8.4340 116.5110 57.6092 29.0141 178.1217 128 Q 4.2435 8.2352 118.6662 57.7806 28.8968 177.7614 129 D 4.4565 8.0557 118.0089 55.7089 39.9730 176.3638 130 L 4.2996 7.8891 121.5239 53.3097 42.1624 176.2630 131 P 4.2955 0.0000 0.0000 65.4643 31.4855 176.7746 132 N 4.6659 8.0221 113.6687 52.8665 38.7973 174.7853 133 A 4.3308 7.6740 121.2593 52.1568 18.9495 178.1034 134 M 4.4342 8.9215 121.8902 55.5885 33.0709 176.2284 135 N 4.7540 9.3345 120.0520 51.7885 39.6721 176.0423 136 A 3.9887 8.6749 120.0947 55.2597 18.4266 179.6191 137 A 3.9623 8.0192 118.7601 55.2351 18.5024 179.5358 138 E 4.0063 8.7533 117.2564 59.7791 29.5301 179.6447 139 I 3.7045 7.8220 119.6969 64.5201 37.1125 178.4246 140 T 3.7345 7.9763 116.6152 67.0584 68.5025 176.3097 141 D 4.3946 7.7322 119.0091 57.0966 40.6249 179.0046 142 K 3.9932 8.0013 118.4465 59.0639 32.1392 178.5442 143 L 4.2512 8.1324 117.2140 54.0112 42.2298 176.8377 144 G 3.8482 7.8632 107.2800 46.4315 0.0000 176.3233 145 L 3.3436 7.5495 121.9543 57.2396 41.6040 179.5318 146 H 4.5307 7.8113 114.4086 57.9096 28.7646 175.9913 147 S 4.4837 7.7688 112.8597 58.6263 63.2151 175.3171 148 L 4.3624 7.2372 122.9688 54.1090 39.6899 176.5880 149 R 4.2321 8.0736 120.8465 58.1317 30.7090 177.8075 150 Q 4.2869 8.0361 115.2739 56.8076 29.2116 175.4328 151 R 4.5373 7.3077 111.9897 55.1914 31.9115 173.8220 152 H 4.7790 8.5939 117.0585 55.6934 29.6585 174.5853 153 W 6.3000 8.4261 119.0170 55.0973 31.5699 173.4637 154 Y 4.2385 8.3156 120.3914 56.0906 41.6378 172.8912 155 I 4.9197 7.6669 125.5163 59.1712 40.7022 174.1718 156 Q 4.6501 9.1326 129.8746 54.2179 31.7919 174.3772 157 S 4.9325 8.8377 123.0942 58.9190 64.1394 173.3097 158 T 4.8709 9.0859 113.7272 60.1700 72.9467 172.5767 159 C 4.7955 8.8107 122.9520 57.5359 33.0845 174.4256 160 A 3.9653 8.8645 131.2504 55.1164 18.2438 178.8748 161 T 4.0788 7.8780 105.4523 63.9035 69.1790 175.4654 162 S 4.4210 8.1297 114.5791 57.7949 64.2307 175.1376 163 G 3.9517 8.2105 110.1242 44.8963 0.0000 172.9823 164 E 4.0294 7.6862 121.0635 58.0955 30.1767 177.4535 165 G 4.3128 9.0671 113.8345 46.8124 0.0000 175.1825 166 L 3.9140 7.9447 119.9848 58.1006 41.5965 178.5780 167 Y 4.3196 8.4916 118.7163 61.1172 38.4280 178.0513 168 E 4.2700 8.6283 118.8929 59.4357 29.5878 179.5534 169 G 3.7818 8.3424 105.2802 48.0002 0.0000 175.9177 170 L 4.0964 8.3641 121.8593 57.0980 41.5441 179.0979 171 D 3.9500 8.3818 118.5799 56.8845 41.1084 177.9408 172 W 3.7721 7.9009 128.7354 60.2772 30.5277 177.3145 173 L 3.7089 8.3511 120.6762 58.2997 41.4934 179.1728 174 S 3.9401 7.9759 114.1319 61.3749 62.8585 175.8463 175 N 4.0449 7.8492 120.2182 56.2670 38.0733 177.1085 176 N 4.0098 7.3705 116.2172 55.6753 38.7586 177.4836 177 I 3.7308 7.7417 121.5723 64.3272 37.0127 178.2847 178 A 3.9826 7.7790 120.5508 54.8299 18.2597 179.0886 179 S 4.2358 7.7492 110.5147 59.4371 63.5698 174.8549 180 K 4.2137 7.5885 128.4010 56.6787 32.1193 175.3979 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 4 S 8.19 4.43 0.00 4.06 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 5 F 7.77 4.42 0.00 3.21 3.16 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 6 G 9.08 3.72 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 0.00 7 K 8.10 4.03 0.00 2.00 1.91 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.60 7.81 8 L 7.55 3.92 0.00 1.58 1.13 0.27 0.70 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 9 F 8.22 4.47 0.00 3.36 3.41 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 10 S 7.85 2.00 0.00 3.60 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 11 R 7.20 3.84 0.00 1.73 1.91 0.00 3.15 0.00 0.00 3.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 12 L 7.24 4.55 0.00 1.88 1.77 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.86 4.79 0.00 2.98 2.91 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 14 A 7.82 4.35 1.25 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 0.00 0.00 15 K 8.70 4.09 0.00 1.76 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 16 K 7.85 4.13 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 E 8.62 4.60 0.00 1.85 1.86 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 2.47 2.30 0.00 18 M 9.11 4.96 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 19 R 8.54 5.08 0.00 1.95 1.83 0.00 3.15 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 20 I 8.18 4.78 1.44 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 1.20 0.64 1.05 0.00 0.00 21 L 8.74 4.89 0.00 1.47 1.22 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 M 9.08 5.13 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 23 V 8.78 4.69 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 0.81 0.00 0.00 24 G 7.88 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.89 0.00 1.74 1.64 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.39 4.34 0.00 2.66 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 27 A 8.81 3.75 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.66 4.01 1.32 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 0.00 0.00 29 G 8.40 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 30 K 8.39 3.91 0.00 1.76 1.81 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.44 7.81 31 T 7.82 3.86 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 1.17 0.00 0.00 32 T 7.83 3.89 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 33 I 7.78 3.55 1.92 0.00 0.00 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 1.14 0.62 0.72 0.00 0.00 34 L 7.78 3.75 0.00 1.76 1.85 0.83 1.25 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 35 Y 8.13 4.28 0.00 3.15 3.06 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 36 K 7.96 3.95 0.00 1.88 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.81 7.81 37 L 7.59 3.67 0.00 1.32 1.35 -0.07 0.43 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 38 K 7.24 3.68 0.00 1.80 1.77 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.43 7.81 39 L 9.14 4.48 0.00 1.39 1.39 0.45 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.94 4.50 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 0.00 41 E 8.20 4.09 0.00 2.01 1.94 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 2.37 2.38 0.00 42 I 8.31 4.33 1.92 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 1.28 0.60 0.93 0.00 0.00 43 V 8.81 4.39 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 0.98 0.00 0.00 0.95 0.00 0.00 44 T 8.53 5.08 4.23 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 1.18 0.00 0.00 45 T 9.04 4.64 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 1.20 0.00 0.00 46 I 8.14 4.85 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.54 1.06 0.00 0.00 47 P 0.00 4.38 0.00 2.25 2.20 0.00 3.80 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.86 0.00 48 T 7.72 4.65 4.27 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 1.19 0.00 0.00 49 I 8.35 3.75 1.87 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 1.35 0.92 0.92 0.00 0.00 50 G 9.22 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 0.00 0.00 0.00 51 F 8.09 4.85 0.00 2.81 3.06 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 52 N 8.42 4.78 0.00 2.62 2.70 0.00 0.00 6.90 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 53 V 8.63 4.50 1.87 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 1.13 0.00 0.00 -0.05 0.00 0.00 54 E 9.22 5.20 0.00 1.94 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 2.24 2.26 0.00 55 T 8.92 5.24 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 1.34 0.00 0.00 56 V 8.85 4.80 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 1.13 0.00 0.00 1.00 0.00 0.00 57 E 8.99 5.11 0.00 1.91 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 2.24 2.32 0.00 58 Y 9.05 4.65 0.00 3.21 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 59 K 7.76 3.45 0.00 1.17 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.46 0.77 7.81 60 N 8.54 4.67 0.00 2.96 3.04 0.00 0.00 5.80 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 61 I 8.05 4.54 1.98 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.09 0.00 0.00 62 S 8.52 5.05 0.00 3.72 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 63 F 9.28 4.83 0.00 2.91 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 64 T 9.04 5.14 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 1.55 0.00 0.00 65 V 9.30 5.35 2.18 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 0.89 0.00 0.00 0.94 0.00 0.00 66 W 7.99 5.54 0.00 3.33 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 67 D 8.93 5.06 0.00 2.71 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 68 V 8.68 4.50 2.45 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 1.25 0.00 0.00 1.06 0.00 0.00 69 G 8.82 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 0.00 0.00 0.00 *84 N 7.96 4.72 0.00 2.91 2.94 0.00 0.00 7.04 7.05 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 85 T 7.83 4.69 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 86 Q 9.00 4.48 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 87 G 7.88 4.50 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 0.00 88 L 9.28 5.22 0.00 1.74 1.56 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.03 4.90 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.94 0.00 0.00 90 F 9.37 4.91 0.00 3.09 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 91 V 7.96 4.83 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 0.80 0.00 0.00 1.01 0.00 0.00 92 V 8.74 4.51 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 1.07 0.00 0.00 1.25 0.00 0.00 93 D 8.67 4.82 0.00 2.78 2.57 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 94 S 9.21 4.26 0.00 4.02 4.12 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 95 N 8.38 4.61 0.00 2.68 2.94 0.00 0.00 6.99 8.05 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 96 D 7.69 4.79 0.00 2.89 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.99 0.00 1.92 1.97 0.00 3.18 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 98 D 7.73 4.46 0.00 2.94 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 99 R 7.83 4.64 0.00 1.82 1.92 0.00 3.14 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 100 V 7.69 3.67 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 0.96 0.00 0.00 0.94 0.00 0.00 101 V 7.70 3.58 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 1.09 0.00 0.00 0.92 0.00 0.00 102 E 8.25 3.91 0.00 2.10 2.11 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 2.44 2.42 0.00 103 A 8.27 4.17 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 0.00 104 R 8.31 3.68 0.00 1.79 2.11 0.00 3.04 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 105 D 8.26 4.34 0.00 2.87 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 0.00 106 E 8.40 4.03 0.00 2.33 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 2.60 2.59 0.00 107 L 7.85 3.53 0.00 0.27 1.33 0.54 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.03 4.05 0.00 3.09 3.30 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.17 4.06 0.00 2.09 2.19 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 110 M 8.10 4.11 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 3.03 0.00 111 L 7.81 4.18 0.00 1.55 1.69 0.69 0.94 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 0.00 112 N 7.72 4.55 0.00 2.89 2.89 0.00 0.00 6.96 9.01 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 0.00 113 E 7.77 3.99 0.00 2.20 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 2.39 2.50 0.00 114 D 8.99 4.42 0.00 2.72 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 0.00 115 E 8.21 4.12 0.00 2.00 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 0.00 2.35 2.36 0.00 116 L 7.85 4.65 0.00 1.86 1.69 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.82 3.92 0.00 1.93 2.05 0.00 3.14 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 118 D 7.90 4.85 0.00 2.65 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 0.00 119 A 7.74 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.54 4.11 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 0.92 0.00 0.00 0.89 0.00 0.00 121 L 9.14 5.29 0.00 1.93 1.74 1.07 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.19 5.16 0.00 1.95 1.47 0.86 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.79 4.76 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 1.05 0.00 0.00 0.91 0.00 0.00 124 F 9.15 5.40 0.00 3.04 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 0.00 125 A 9.21 4.67 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 9.19 5.21 0.00 2.87 2.82 0.00 0.00 7.09 7.78 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 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2.96 0.00 0.00 6.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.67 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.02 3.96 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 0.00 138 E 8.75 4.01 0.00 2.20 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 2.33 2.49 0.00 139 I 7.82 3.70 2.00 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 1.53 0.80 0.91 0.00 0.00 140 T 7.98 3.73 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 1.22 0.00 0.00 141 D 7.73 4.39 0.00 2.74 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 0.00 142 K 8.00 3.99 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 143 L 8.13 4.25 0.00 1.46 1.51 0.85 0.81 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 0.00 144 G 7.86 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 0.00 0.00 0.00 145 L 7.55 3.34 0.00 0.41 0.13 0.55 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.81 4.53 0.00 3.17 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.77 4.48 0.00 3.98 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 0.00 148 L 7.24 4.36 0.00 1.62 1.67 0.45 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.07 4.23 0.00 1.84 2.03 0.00 3.34 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 150 Q 8.04 4.29 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 151 R 7.31 4.54 0.00 1.96 1.92 0.00 3.13 0.00 0.00 3.58 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 152 H 8.59 4.78 0.00 3.23 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.43 6.30 0.00 3.31 3.05 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 0.00 154 Y 8.32 4.24 0.00 1.43 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 0.00 155 I 7.67 4.92 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.25 0.85 0.00 0.00 156 Q 9.13 4.65 0.00 2.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.83 2.65 0.00 157 S 8.84 4.93 0.00 3.87 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 0.00 158 T 9.09 4.87 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 1.18 0.00 0.00 159 C 8.81 4.80 0.00 2.98 2.81 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 0.00 160 A 8.86 3.97 1.27 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 0.00 0.00 161 T 7.88 4.08 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 1.21 0.00 0.00 162 S 8.13 4.42 0.00 3.99 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 0.00 163 G 8.21 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 0.00 164 E 7.69 4.03 0.00 2.03 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 2.34 2.32 0.00 165 G 9.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.94 3.91 0.00 2.00 1.61 0.78 -0.08 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 0.00 167 Y 8.49 4.32 0.00 3.24 3.11 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 0.00 168 E 8.63 4.27 0.00 2.51 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 0.00 2.56 2.64 0.00 169 G 8.34 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 0.00 0.00 0.00 170 L 8.36 4.10 0.00 1.69 1.65 0.63 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.38 3.95 0.00 2.48 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 0.00 172 W 7.90 3.77 0.00 2.84 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 0.00 173 L 8.35 3.71 0.00 2.03 1.86 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.98 3.94 0.00 3.82 3.45 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 0.00 175 N 7.85 4.04 0.00 2.75 2.59 0.00 0.00 7.07 6.52 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 0.00 176 N 7.37 4.01 0.00 1.51 2.21 0.00 0.00 7.13 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 0.00 177 I 7.74 3.73 1.79 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 1.41 0.80 0.88 0.00 0.00 178 A 7.78 3.98 1.25 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 0.00 0.00 179 S 7.75 4.24 0.00 3.95 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 0.00 180 K 7.59 4.21 0.00 1.76 1.90 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.