NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2290 8.1593 115.2422 62.0241 68.4383 172.6283 4 R 4.4761 7.9570 121.9796 51.4027 32.0623 173.1668 5 P 4.2462 0.0000 0.0000 62.9315 32.6745 176.9175 6 R 4.5386 7.8533 118.6443 54.2996 32.7119 175.4067 7 F 4.8899 8.5354 118.8321 55.5238 42.1305 174.2851 8 L 4.9872 8.4953 126.1906 52.9541 45.2845 174.4788 9 W 5.4981 9.1699 135.0000 55.7695 33.4293 174.2384 10 Q 4.5566 8.6723 125.6527 53.8752 31.5688 173.9772 11 L 4.9472 8.4550 125.4390 53.1898 44.6656 175.5965 12 K 4.5749 8.4598 124.0456 54.8110 36.6427 175.0486 13 F 5.2759 9.0577 123.5781 56.0498 40.8007 174.6288 14 E 4.7836 9.4473 124.5846 54.7065 32.0270 174.6000 15 C 5.0847 8.8700 121.4297 55.6191 36.8161 172.7990 16 H 4.6657 8.5803 121.9305 53.8538 30.6717 173.9102 17 F 4.9165 8.3367 121.7143 55.6468 41.1364 174.8442 18 F 4.6889 8.6092 122.5639 56.3651 41.7315 175.7188 19 N 4.1744 9.4509 118.9999 54.7501 37.8459 173.1130 20 G 4.3225 7.6525 116.7982 46.4029 0.0000 173.1358 21 T 4.3778 8.1575 114.8988 60.8297 69.0366 175.0419 22 E 4.0741 7.9273 120.2866 59.2521 29.8221 177.0257 23 R 4.8042 7.6637 119.1913 53.9518 33.0747 174.5193 24 V 5.0397 8.2534 123.6715 61.5291 35.1436 173.8326 25 R 4.6208 8.8124 126.5604 54.6066 33.5219 173.1245 26 L 5.1932 8.6212 128.1855 53.4624 44.5940 174.5716 27 L 5.0889 9.2236 128.0516 53.4012 45.0201 174.3290 28 E 4.8519 9.4480 129.1473 55.0426 31.3441 175.0270 29 R 5.1216 8.9473 125.5896 54.5546 34.6223 173.9604 30 C 4.9721 8.6922 119.8535 57.8635 31.6532 173.0919 31 I 4.7715 7.9249 123.6678 59.6277 40.6927 173.4814 32 Y 5.1868 9.0738 129.0931 56.2570 40.6889 175.4266 33 N 4.0562 9.1311 125.6530 54.3929 36.5492 175.2549 34 Q 3.5632 7.8330 114.7776 56.2602 29.4239 171.9774 35 E 4.4418 7.7813 119.0255 54.4887 30.3385 174.6500 36 E 4.4751 8.7565 127.8954 56.6467 30.4979 176.2041 37 S 4.9179 9.0283 118.1736 57.5991 66.0178 173.8970 38 V 5.2174 7.7193 117.6620 61.0865 34.4348 172.7525 39 R 5.6032 8.8695 116.5134 56.2046 33.3025 173.2595 40 F 4.5781 8.6557 124.2907 56.6377 41.3392 173.3752 41 D 5.1706 7.7344 126.1624 52.3631 42.6091 177.0484 42 S 3.9760 9.1373 120.9273 60.2060 63.4207 174.5732 43 D 4.5565 8.6236 120.3135 54.7060 41.0035 176.7248 44 V 3.9186 7.9709 119.4920 63.3687 32.7498 176.8980 45 G 4.0932 9.0258 106.0333 44.8322 0.0000 172.0524 46 E 5.2199 7.1165 115.3160 55.0079 32.8485 174.5237 47 Y 4.7060 9.4835 118.5241 58.4114 38.9104 175.9741 48 R 4.8936 9.1161 120.9491 54.1390 34.4861 174.5735 49 A 4.5609 8.7102 124.8383 52.2718 18.4708 177.6026 50 V 4.0135 8.5908 123.7204 64.8084 32.5917 175.6941 51 T 4.8164 7.6321 108.3957 59.2508 72.1595 174.3043 52 E 3.9560 8.7855 120.0666 59.2784 29.7804 179.2986 53 L 3.8413 8.2490 119.9496 58.3367 42.1258 178.5846 54 G 4.2644 7.9734 102.8315 45.2481 0.0000 175.1559 55 R 3.9022 8.0828 122.3179 59.3111 30.1117 176.4487 56 P 4.2048 0.0000 0.0000 65.5517 31.3468 178.4013 57 D 3.4762 7.7376 117.0185 56.8489 40.9179 178.2836 58 A 4.1622 8.0034 121.3320 55.3093 18.1536 179.5606 59 E 3.9301 7.9425 115.7983 59.6681 29.8549 178.7557 60 Y 4.2540 7.6987 119.2703 60.6403 38.8766 178.0013 61 W 4.1665 7.9411 119.9620 59.6671 28.8255 178.0240 62 N 4.6295 8.0764 114.7365 55.1170 38.0469 176.3441 63 S 4.7632 7.6096 114.3346 57.7969 64.2944 174.1329 64 Q 4.2038 7.7344 123.1038 54.7748 28.2607 176.6416 65 K 3.9569 8.6790 123.6945 59.6810 32.2278 178.9458 66 D 4.3459 8.1056 118.5402 57.2731 40.6416 178.7070 67 L 3.8513 7.7394 120.2746 57.9845 42.2619 178.7928 68 L 3.8695 7.7263 118.5240 57.8731 41.6491 179.1709 69 E 3.9890 8.2798 119.2542 59.1171 29.4632 178.6671 70 Q 3.8555 8.0166 119.6132 59.3122 28.9731 178.2482 71 R 3.6326 7.5659 117.6419 59.4156 30.0045 179.0438 72 R 4.2096 8.3120 116.8813 58.8461 30.2889 178.3371 73 A 4.2736 8.2216 119.7401 53.7602 18.8022 178.9338 74 A 4.5336 8.2838 121.5518 54.7514 18.2456 179.8904 75 V 3.6214 8.0247 117.0421 64.9517 31.2596 177.8252 76 D 4.5514 8.5312 119.1141 56.4816 41.5181 178.7912 77 T 4.2202 7.8726 109.0109 63.9553 68.9641 174.1141 78 Y 4.5825 7.7804 120.7790 58.8020 40.8015 177.2109 79 C 4.1978 8.4497 117.2992 60.1065 40.0718 176.2681 80 R 3.9943 8.3663 120.6364 59.8850 30.0534 178.2622 81 H 4.2142 7.9834 116.7375 59.7265 29.8628 176.9296 82 N 4.2399 8.8760 118.2891 56.4780 38.2923 176.7061 83 Y 3.8333 8.0873 120.8435 60.6933 38.4733 178.6476 84 G 3.6154 8.1188 105.9352 47.3181 0.0000 175.7291 85 V 3.8489 7.4811 119.5434 65.5472 32.0724 177.6320 86 G 3.0434 7.8952 104.1413 45.5133 0.0000 174.8562 87 E 3.2799 7.4924 121.9826 59.4710 29.2454 178.7617 88 S 4.0634 7.6852 113.3697 61.1967 62.9398 175.6437 89 F 4.6989 7.3967 114.1769 57.2399 38.8498 175.8534 90 T 4.0210 7.2626 109.9934 62.8287 69.3364 176.3885 91 V 3.4688 7.3020 123.6680 64.8925 32.1254 177.1834 92 Q 4.4534 7.7310 116.1342 55.4809 28.6036 175.1944 93 R 4.0582 8.1576 120.2950 55.9111 30.1730 175.9281 94 R 4.8454 8.6184 124.5266 54.4284 32.2122 175.2232 95 V 4.4517 8.6409 123.2563 60.6868 34.3224 174.2484 96 E 4.9809 9.2411 130.0073 54.8513 30.0088 174.7402 97 P 4.8072 0.0000 0.0000 63.0480 32.6178 175.1670 98 K 4.5897 8.9142 122.3435 54.6804 34.6572 174.8661 99 V 4.9010 8.5607 127.0277 61.5037 33.6586 174.3443 100 T 4.8828 8.6523 118.0227 59.8636 72.0304 173.2535 101 V 5.3410 8.6745 122.1851 60.3324 34.3588 174.0179 102 Y 4.6790 7.5206 124.2148 54.7117 41.6081 173.0084 103 P 4.6372 0.0000 0.0000 63.0701 32.5383 176.0894 104 S 4.3835 8.2789 109.7798 59.3177 65.4254 172.9570 *112 H 4.5069 7.8863 114.8647 56.1236 29.2090 173.8161 113 N 4.2101 8.6106 112.1427 52.7556 37.8030 173.3263 114 L 4.6611 7.7840 120.1590 52.9995 45.3976 175.0357 115 L 4.5544 8.2050 125.7417 52.6220 44.9850 175.4627 116 V 4.3963 8.0516 122.5897 61.1855 34.2990 173.4533 117 C 4.5079 9.4181 129.2453 55.2154 39.0476 171.9116 118 S 4.9678 8.7668 122.8058 57.2952 63.1058 172.9351 119 V 4.8345 9.4712 127.4175 61.2617 34.1570 174.2147 120 S 4.4177 8.8986 122.4163 57.3201 66.7304 174.8471 121 G 3.7856 8.5551 108.7724 46.2050 0.0000 173.6091 122 F 5.0744 7.3805 115.1358 56.1066 40.8873 174.1941 123 Y 4.7532 9.0588 116.0546 57.0835 41.8275 171.2598 124 P 3.5701 0.0000 0.0000 59.8966 34.1273 176.0004 125 G 2.2115 7.4212 109.1822 48.0273 0.0000 174.8438 126 S 4.0364 7.4342 114.5923 58.1853 63.2474 173.0290 127 I 4.4507 7.7099 123.1352 59.8878 41.2202 173.1098 128 E 4.6966 8.4429 124.0278 54.4409 33.2078 174.8721 129 V 4.8624 8.4387 123.5805 61.1213 34.0498 174.7213 130 R 4.7803 8.6221 125.6522 54.2050 34.4066 174.2043 131 W 5.3922 8.5376 120.8170 55.1624 32.3156 174.9347 132 F 5.2690 9.7289 121.7936 55.7761 42.6389 173.7463 133 R 4.3539 9.2604 125.0060 54.5468 31.7059 175.4974 134 N 4.0770 9.7010 126.0615 54.4120 36.6565 175.8732 135 G 3.9414 8.5625 103.5125 45.9163 0.0000 173.9267 136 Q 4.6790 7.8580 119.6460 53.7251 30.1232 175.0332 137 E 3.1864 8.8770 123.5719 56.0858 30.1227 175.8053 138 E 4.5661 9.0663 125.8150 54.8347 31.2406 175.8526 139 K 4.2957 8.5662 122.9542 56.7433 33.7861 177.0152 140 A 4.1680 7.8861 121.7365 52.5756 19.2965 176.9928 141 G 3.7072 8.6067 110.0587 46.6853 0.0000 173.4162 142 V 4.4063 7.8191 113.4797 60.0401 32.4923 176.0766 143 V 4.4399 8.1632 125.0469 60.9980 34.4715 174.5441 144 S 4.8021 8.5000 120.9684 56.5846 63.9384 173.2490 145 T 3.8530 8.2420 118.2469 63.7888 68.8769 173.1063 146 G 3.6855 7.6250 106.0956 43.9253 0.0000 171.5591 147 L 4.7799 8.3198 120.4758 53.4508 43.7140 175.8722 148 I 4.4444 8.4875 127.4706 59.5972 39.4583 174.4482 149 Q 3.7515 8.4408 128.8370 55.1657 29.1041 175.3960 150 N 4.3456 8.4457 124.0881 54.1317 39.0415 176.3836 151 G 3.8675 8.1758 106.5327 44.9153 0.0000 173.6251 152 D 4.9356 7.6316 116.9786 52.8277 39.6515 175.9543 153 W 3.6203 8.8171 116.9956 57.7304 25.9104 173.8293 154 T 5.2152 7.8336 106.5601 60.5384 72.3076 172.7733 155 F 4.9594 8.8948 122.5118 56.0830 42.6754 174.0940 156 Q 5.1539 8.4893 115.9094 55.7541 31.9818 173.5791 157 T 5.2013 10.5776 115.4347 60.6295 71.6434 172.6401 158 L 5.1597 8.5485 125.3656 53.2134 45.3075 175.2494 159 V 4.5914 8.6338 124.9374 61.5259 33.1066 175.1682 160 M 5.0311 9.4732 127.9279 54.3166 34.7477 174.7813 161 L 4.6465 7.8438 121.1815 53.5061 45.8550 174.9119 162 E 4.7724 8.4970 126.6200 55.6531 29.9079 175.7160 163 T 4.5266 8.0109 114.4053 60.2450 72.7262 173.2758 164 V 4.2521 8.3372 125.2181 60.9497 31.7676 173.9055 165 P 4.9025 0.0000 0.0000 62.9426 31.0756 176.0688 166 R 4.8205 8.5575 119.1226 53.8098 34.1710 175.1512 167 S 4.1677 8.4675 114.2168 60.1645 62.6630 173.3321 168 G 4.1506 8.6922 119.5273 44.0328 0.0000 172.7722 169 E 3.6272 7.3594 110.5559 50.8777 29.6194 175.7587 170 V 4.4027 9.4873 125.1594 61.4345 33.6933 174.0401 171 Y 5.4902 9.1169 125.5821 57.0129 41.2687 174.9816 172 T 5.2591 9.4324 117.7577 62.5178 73.8271 171.8094 173 C 4.7472 9.3719 126.3297 54.5973 42.3504 172.0282 174 Q 5.2558 8.6530 127.0481 54.2446 31.7955 174.2025 175 V 4.6058 8.8394 125.6540 61.2614 34.7482 173.8754 176 E 4.7956 8.7510 127.9664 55.6728 31.6447 174.8899 177 H 4.7225 8.3199 121.1415 54.4733 32.8655 172.7223 178 P 4.3088 0.0000 0.0000 65.3593 31.5925 177.8896 179 S 4.3894 8.2310 112.0359 59.8937 63.3583 174.0400 180 V 4.7265 7.6674 114.6624 59.4843 34.6644 175.9232 181 T 4.0188 8.7459 114.6507 63.7175 69.0552 174.6058 182 S 4.8263 7.6906 116.1860 55.5910 65.8838 171.5446 183 P 4.7182 0.0000 0.0000 62.2375 32.7787 175.5284 184 L 4.3500 8.6414 122.4323 54.7212 42.9360 175.8650 185 T 4.9706 8.4754 114.0311 59.9496 70.7534 173.4408 186 V 4.5068 8.5568 127.1342 60.8664 33.7616 174.5944 187 E 5.2100 8.8461 125.4315 54.8411 32.2318 174.8448 188 W 5.2413 9.6096 129.9246 55.8542 34.3753 173.7608 189 R 4.5802 7.7062 124.8213 54.0130 31.9081 175.8977 190 A 3.6094 7.6661 123.9653 51.9726 18.1488 177.2393 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 T 8.16 4.23 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 1.20 0.00 0.00 4 R 7.96 4.48 0.00 2.02 1.93 0.00 3.12 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 5 P 0.00 4.25 0.00 1.85 1.99 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 6 R 7.85 4.54 0.00 1.61 1.73 0.00 3.26 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 7 F 8.54 4.89 0.00 3.10 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 8 L 8.50 4.99 0.00 1.74 1.44 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 W 9.17 5.50 0.00 3.53 3.03 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 10 Q 8.67 4.56 0.00 1.75 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 11 L 8.45 4.95 0.00 1.60 1.52 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.46 4.57 0.00 1.59 1.59 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.31 7.81 13 F 9.06 5.28 0.00 3.12 3.20 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 14 E 9.45 4.78 0.00 1.99 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 0.00 2.27 2.30 0.00 15 C 8.87 5.08 0.00 2.83 2.61 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 16 H 8.58 4.67 0.00 3.11 2.79 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.34 4.92 0.00 2.87 3.07 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 18 F 8.61 4.69 0.00 3.08 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 19 N 9.45 4.17 0.00 2.94 3.01 0.00 0.00 7.16 8.32 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 20 G 7.65 4.32 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 0.00 21 T 8.16 4.38 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 0.17 0.00 0.00 22 E 7.93 4.07 0.00 2.16 2.26 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 2.47 2.30 0.00 23 R 7.66 4.80 0.00 1.97 1.86 0.00 2.81 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 24 V 8.25 5.04 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 0.45 0.00 0.00 1.04 0.00 0.00 25 R 8.81 4.62 0.00 2.08 2.00 0.00 3.38 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 26 L 8.62 5.19 0.00 1.92 1.65 1.28 0.64 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 27 L 9.22 5.09 0.00 1.72 1.53 0.94 0.64 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 E 9.45 4.85 0.00 2.25 2.05 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 2.22 1.80 0.00 29 R 8.95 5.12 0.00 1.59 1.68 0.00 3.30 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 30 C 8.69 4.97 0.00 2.90 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 0.00 0.00 0.00 0.00 31 I 7.92 4.77 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.42 0.90 0.00 0.00 32 Y 9.07 5.19 0.00 3.47 3.03 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 33 N 9.13 4.06 0.00 2.31 2.55 0.00 0.00 7.05 8.43 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 34 Q 7.83 3.56 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 35 E 7.78 4.44 0.00 2.06 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 2.30 2.26 0.00 36 E 8.76 4.48 0.00 1.95 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 2.31 2.41 0.00 37 S 9.03 4.92 0.00 4.10 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 38 V 7.72 5.22 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 1.04 0.00 0.00 1.36 0.00 0.00 39 R 8.87 5.60 0.00 2.04 2.19 0.00 2.99 0.00 0.00 3.15 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 40 F 8.66 4.58 0.00 1.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 5.17 0.00 2.58 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 0.00 0.00 0.00 42 S 9.14 3.98 0.00 4.14 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 0.00 43 D 8.62 4.56 0.00 2.68 2.65 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 0.00 0.00 0.00 44 V 7.97 3.92 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 0.68 0.00 0.00 0.82 0.00 0.00 45 G 9.03 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.12 5.22 0.00 2.35 2.05 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 2.22 2.42 0.00 47 Y 9.48 4.71 0.00 3.23 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 48 R 9.12 4.89 0.00 1.72 1.81 0.00 3.31 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 49 A 8.71 4.56 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.59 4.01 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 0.85 0.00 0.00 1.02 0.00 0.00 51 T 7.63 4.82 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 1.30 0.00 0.00 52 E 8.79 3.96 0.00 2.04 2.05 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 2.42 2.25 0.00 53 L 8.25 3.84 0.00 1.67 1.83 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.97 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 0.00 0.00 0.00 0.00 55 R 8.08 3.90 0.00 1.88 2.03 0.00 3.11 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 1.69 1.69 0.00 56 P 0.00 4.20 0.00 2.03 1.96 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 57 D 7.74 3.48 0.00 2.41 1.54 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 58 A 8.00 4.16 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 59 E 7.94 3.93 0.00 2.20 2.04 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 2.36 2.32 0.00 60 Y 7.70 4.25 0.00 2.95 2.54 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 61 W 7.94 4.17 0.00 2.88 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 0.00 0.00 0.00 62 N 8.08 4.63 0.00 2.86 2.98 0.00 0.00 6.99 7.24 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 63 S 7.61 4.76 0.00 4.00 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 64 Q 7.73 4.20 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.84 0.00 0.00 0.00 0.00 0.00 2.18 1.84 0.00 65 K 8.68 3.96 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 66 D 8.11 4.35 0.00 2.65 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 67 L 7.74 3.85 0.00 1.68 1.82 0.73 0.41 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 68 L 7.73 3.87 0.00 1.92 1.75 1.06 0.93 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 69 E 8.28 3.99 0.00 2.03 1.92 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 2.29 2.31 0.00 70 Q 8.02 3.86 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 71 R 7.57 3.63 0.00 1.43 0.66 0.00 3.03 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.30 0.00 72 R 8.31 4.21 0.00 1.88 2.07 0.00 3.21 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 73 A 8.22 4.27 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 74 A 8.28 4.53 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 75 V 8.02 3.62 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 0.93 0.00 0.00 0.98 0.00 0.00 76 D 8.53 4.55 0.00 2.72 2.78 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 77 T 7.87 4.22 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 1.22 0.00 0.00 78 Y 7.78 4.58 0.00 2.86 3.09 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 0.00 0.00 0.00 0.00 79 C 8.45 4.20 0.00 3.29 2.99 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.15 2.04 0.00 88 S 7.69 4.06 0.00 4.06 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 89 F 7.40 4.70 0.00 2.95 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 90 T 7.26 4.02 4.22 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 0.63 0.00 0.00 91 V 7.30 3.47 1.79 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 0.68 0.00 0.00 0.33 0.00 0.00 92 Q 7.73 4.45 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 93 R 8.16 4.06 0.00 1.77 1.83 0.00 2.76 0.00 0.00 2.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 94 R 8.62 4.85 0.00 1.85 1.90 0.00 3.47 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 95 V 8.64 4.45 2.29 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 1.17 0.00 0.00 1.02 0.00 0.00 96 E 9.24 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0.83 0.00 0.00 128 E 8.44 4.70 0.00 1.97 1.74 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 2.15 2.17 0.00 129 V 8.44 4.86 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 0.52 0.00 0.00 0.78 0.00 0.00 130 R 8.62 4.78 0.00 1.92 1.80 0.00 3.24 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 131 W 8.54 5.39 0.00 3.36 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 0.00 132 F 9.73 5.27 0.00 3.26 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 0.00 133 R 9.26 4.35 0.00 1.92 1.80 0.00 3.34 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.00 134 N 9.70 4.08 0.00 2.83 2.84 0.00 0.00 7.07 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 0.00 135 G 8.56 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 0.00 0.00 0.00 136 Q 7.86 4.68 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 137 E 8.88 3.19 0.00 1.49 1.71 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 2.08 1.97 0.00 138 E 9.07 4.57 0.00 1.94 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 2.24 2.48 0.00 139 K 8.57 4.30 0.00 1.70 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.34 7.81 140 A 7.89 4.17 1.22 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 0.00 0.00 141 G 8.61 3.71 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 0.00 0.00 0.00 142 V 7.82 4.41 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 0.83 0.00 0.00 1.02 0.00 0.00 143 V 8.16 4.44 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 0.93 0.00 0.00 0.90 0.00 0.00 144 S 8.50 4.80 0.00 3.89 3.73 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 0.00 145 T 8.24 3.85 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 1.27 0.00 0.00 146 G 7.63 3.69 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 0.00 0.00 0.00 147 L 8.32 4.78 0.00 1.74 1.66 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.49 4.44 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 0.86 0.00 0.00 149 Q 8.44 3.75 0.00 1.68 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.04 0.00 0.00 0.00 0.00 0.00 1.86 1.37 0.00 150 N 8.45 4.35 0.00 2.98 2.77 0.00 0.00 7.31 7.03 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 0.00 151 G 8.18 3.87 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 0.00 0.00 0.00 152 D 7.63 4.94 0.00 2.82 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 0.00 153 W 8.82 3.62 0.00 3.39 3.28 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 0.00 154 T 7.83 5.22 4.15 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 0.00 0.00 1.37 0.00 0.00 155 F 8.89 4.96 0.00 1.51 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 0.00 0.00 0.00 156 Q 8.49 5.15 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 157 T 10.58 5.20 4.52 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 1.24 0.00 0.00 158 L 8.55 5.16 0.00 1.68 1.57 0.99 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 0.00 159 V 8.63 4.59 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 1.17 0.00 0.00 0.95 0.00 0.00 160 M 9.47 5.03 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 161 L 7.84 4.65 0.00 0.27 0.13 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.50 4.77 0.00 1.81 1.80 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 2.18 2.12 0.00 163 T 8.01 4.53 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 0.00 164 V 8.34 4.25 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 0.85 0.00 0.00 0.93 0.00 0.00 165 P 0.00 4.90 0.00 2.31 2.35 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 166 R 8.56 4.82 0.00 1.88 1.79 0.00 3.38 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 167 S 8.47 4.17 0.00 3.96 3.88 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 0.00 168 G 8.69 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 169 E 7.36 3.63 0.00 2.22 1.79 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 2.21 2.31 0.00 170 V 9.49 4.40 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 1.05 0.00 0.00 0.94 0.00 0.00 171 Y 9.12 5.49 0.00 3.54 3.26 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 0.00 172 T 9.43 5.26 4.42 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 1.20 0.00 0.00 173 C 9.37 4.75 0.00 2.03 2.58 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 0.00 0.00 0.00 0.00 174 Q 8.65 5.26 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 175 V 8.84 4.61 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 0.71 0.00 0.00 0.77 0.00 0.00 176 E 8.75 4.80 0.00 1.92 1.79 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 2.23 2.21 0.00 177 H 8.32 4.72 0.00 3.04 3.04 0.00 5.68 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 0.00 178 P 0.00 4.31 0.00 2.03 2.05 0.00 3.01 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 179 S 8.23 4.39 0.00 4.09 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 0.00 180 V 7.67 4.73 2.26 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 0.76 0.00 0.00 1.01 0.00 0.00 181 T 8.75 4.02 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 0.00 182 S 7.69 4.83 0.00 3.82 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 0.00 183 P 0.00 4.72 0.00 2.00 2.13 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.23 0.00 184 L 8.64 4.35 0.00 1.57 1.59 0.89 0.44 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 0.00 185 T 8.48 4.97 4.15 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 0.00 0.00 1.09 0.00 0.00 186 V 8.56 4.51 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 1.05 0.00 0.00 0.96 0.00 0.00 187 E 8.85 5.21 0.00 2.30 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 2.24 2.35 0.00 188 W 9.61 5.24 0.00 3.47 3.29 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 0.00 189 R 7.71 4.58 0.00 1.38 1.57 0.00 3.17 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 190 A 7.67 3.61 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 * Residues marked with a * may have inaccurate shift predictions.