NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.8015 8.4545 109.7275 45.6704 0.0000 173.1809 9 V 4.0894 7.8009 125.2836 57.8845 34.5915 171.7458 10 F 4.6869 8.5995 117.0283 57.7997 40.8501 175.1448 11 A 4.1425 8.6398 124.8264 52.7368 18.5544 177.2826 12 K 4.7220 8.2099 120.5629 53.9644 35.8076 176.2879 13 S 4.2689 8.3983 115.9336 57.6147 62.8908 173.6284 14 P 4.3448 0.0000 0.0000 65.4700 31.3589 177.4776 15 I 3.9634 7.8075 119.5169 62.8320 37.7392 177.8325 16 K 4.5452 8.0711 123.4203 58.7083 31.9336 176.8737 17 P 4.2562 0.0000 0.0000 65.4473 30.9784 178.6471 18 L 4.0516 7.8054 116.9128 57.7221 41.9920 178.9358 19 Q 4.2223 8.3839 120.6590 59.6708 28.8013 179.3211 20 E 4.1083 8.4735 119.5390 61.1337 29.5967 180.8017 21 H 4.5804 8.1098 116.4894 56.8284 29.7783 176.6732 *23 D 4.5816 8.0644 120.7694 53.7975 42.9528 177.9183 24 K 3.9522 7.9863 119.1542 59.3357 32.0430 178.9101 25 V 3.5299 7.9069 118.7360 66.3000 31.3549 177.3404 26 Y 4.0906 8.0358 118.5840 60.8711 38.4504 177.5574 27 D 4.2243 8.0637 118.8168 57.2952 41.0435 178.1181 28 C 4.1600 8.1220 118.9228 62.4884 31.6071 175.4856 29 A 3.9421 8.1846 122.6646 55.3376 18.0150 179.6189 30 S 3.8562 8.0285 113.8607 61.7021 62.8524 176.7543 31 L 4.1798 7.6297 120.8893 56.8096 41.1884 179.2142 32 L 4.2191 8.0531 119.8049 57.6510 41.4111 179.1780 33 V 3.7573 7.8119 118.4166 65.5089 31.5723 176.2628 34 P 4.3165 0.0000 0.0000 65.6760 31.0773 177.8996 35 F 4.0295 8.3572 120.4391 61.4342 39.2458 177.1771 36 F 3.9376 8.6531 118.8418 59.9669 38.8160 177.4320 37 E 3.9384 8.7891 118.4813 59.4130 29.2251 179.4322 38 A 3.8169 7.9325 120.9526 55.2176 18.4967 179.7792 39 T 2.4833 7.0767 108.1893 64.5323 68.2865 176.7864 40 I 3.8075 7.5104 122.2809 63.8972 37.2346 177.5441 41 T 4.2192 7.3966 107.4253 61.5930 68.9063 175.4393 42 G 3.6918 7.2126 109.3700 46.6673 0.0000 174.8441 43 N 4.6006 7.4281 120.2258 51.8051 37.5307 175.1618 44 W 4.1975 8.3139 128.6227 59.4236 29.6073 178.1343 45 D 4.4719 8.2142 121.2086 58.5517 39.3067 182.6403 46 D 4.5646 8.4749 120.4726 56.9817 40.7088 178.6460 47 A 3.8802 7.9412 121.4011 55.1907 18.3828 179.8710 48 V 3.6787 8.0665 116.7002 66.3093 31.4618 178.3622 49 Q 4.0640 8.0221 117.4589 58.9409 28.4897 178.7269 50 I 3.9563 8.2753 121.4238 64.3416 37.1686 178.3872 51 R 3.7499 8.5513 119.9484 59.3280 29.8161 178.7485 52 K 4.1102 7.9846 118.2246 59.4080 31.9724 179.3613 53 Q 4.0016 7.8386 118.5748 58.7751 28.5154 178.7117 54 I 3.6273 7.7913 120.8808 64.6388 37.1585 178.5675 55 S 4.0599 8.5113 116.1973 61.4939 62.5129 176.7565 56 L 3.8883 7.9493 122.7190 58.0976 41.8182 178.8259 57 A 3.9615 8.0637 120.7838 55.1738 18.2040 179.2365 58 E 3.8280 8.4823 118.1625 59.2010 29.6968 178.9736 59 K 3.9246 8.2549 119.8523 59.5213 32.2503 178.8463 60 Q 4.0739 8.5158 118.8908 58.8522 28.5893 178.9346 61 G 3.5866 8.3359 107.0329 47.9760 0.0000 175.0521 62 D 4.4160 8.4061 121.0472 57.2329 41.1189 178.7324 63 S 4.1419 8.0349 115.6388 61.4278 62.8579 176.5041 64 L 4.0092 7.9481 121.7813 57.6003 41.3486 179.4576 65 K 3.8458 8.4790 119.9378 59.4944 32.1825 178.7269 66 R 3.8534 8.1251 118.9819 59.3152 29.4896 177.7844 67 E 3.8771 8.2385 119.0116 59.5614 29.5552 178.8443 68 I 3.7111 7.8273 119.4806 64.6566 36.9987 178.7553 69 R 3.9229 7.9798 117.3760 58.5573 29.9406 178.1068 70 L 4.4717 7.6510 115.9626 55.1111 42.0609 177.1167 71 T 4.5784 7.0313 113.5609 64.5733 70.9942 173.7918 72 L 3.8078 7.6951 128.0795 53.7828 42.3474 175.5907 *75 G 3.7979 7.8915 113.9839 45.5969 0.0000 168.7404 *76 L 4.4936 8.2892 122.0291 54.0809 39.3638 178.9308 *77 F 4.2793 8.8613 113.9707 57.6614 39.1551 173.4176 *79 P 4.3656 0.0000 0.0000 62.3103 32.7844 176.4001 80 V 4.5347 7.2780 110.6083 58.6789 35.9164 175.1344 81 E 4.1962 8.4466 120.9170 55.9863 30.8312 178.0709 82 R 3.9501 8.7583 123.4365 59.9009 30.2003 179.2502 83 T 3.9276 7.8564 108.7301 64.8929 68.6746 176.1838 84 D 4.3463 7.9303 121.2930 57.0363 40.8537 178.4520 85 L 3.9827 7.8571 119.2978 57.7112 41.5275 179.5785 86 L 3.9851 7.9825 118.9384 57.8953 41.4460 179.4387 87 E 3.9832 8.3772 118.6357 59.0619 29.2545 179.1985 88 L 3.9182 8.2279 120.7897 58.0509 42.1374 178.5332 89 L 3.8499 8.1918 120.6776 58.6611 41.7921 178.9197 90 T 3.8574 8.2059 115.7587 66.9865 68.1821 176.5724 91 Q 4.0190 7.6754 118.4958 58.9679 29.1525 178.2402 92 Q 4.1839 8.3399 119.3215 59.1133 28.7921 178.4210 93 D 4.4426 8.4919 119.2316 57.4365 41.1412 178.4374 94 K 3.9882 7.9263 118.8962 59.4288 31.9823 179.3598 95 I 3.6800 7.7094 119.4102 64.3473 37.0902 178.3085 96 A 3.9827 7.9296 121.0684 55.2843 18.2470 179.2616 97 N 4.2722 8.2331 115.0307 56.1305 38.4735 177.5817 98 K 3.8241 8.3269 121.1211 59.4494 32.4614 178.7448 99 A 3.9631 7.9851 121.0622 54.9243 18.2776 179.5862 100 K 3.7555 8.0493 118.0975 59.6073 32.2967 178.7906 101 D 4.1980 8.2975 119.5274 57.3450 40.7502 178.7315 102 I 3.5959 7.8570 120.7458 64.5495 37.1763 178.6803 103 S 3.6874 7.7812 114.6527 61.1105 62.4669 176.7323 104 G 3.5179 7.9824 109.2812 47.7078 0.0000 175.9800 105 R 3.9509 8.1064 120.7207 58.7630 30.0561 179.4367 106 V 3.7907 8.0887 118.1712 66.1790 31.7127 178.1316 107 I 4.0052 8.3156 119.8454 64.4087 36.7352 178.4897 108 G 3.6792 8.1309 105.5737 47.3947 0.0000 174.9513 109 R 4.2477 7.7359 116.6220 54.3699 31.5658 176.0842 110 Q 2.0000 7.2747 117.0283 56.1726 26.6844 174.7817 111 L 4.0964 8.0762 118.7541 54.8111 42.6860 175.3945 112 L 4.6176 8.4554 128.5782 53.4461 43.0658 175.7225 113 I 3.8437 8.2468 127.5441 60.0667 37.7248 174.1305 114 P 4.2507 0.0000 0.0000 62.9288 32.1533 176.5873 115 Q 4.0702 9.0889 123.0167 59.8093 28.6018 179.5627 116 A 4.0789 8.0285 118.9721 54.3576 18.6447 178.3268 117 L 4.4402 8.0054 116.2643 55.0936 42.2655 178.6426 118 Q 4.0192 7.7945 119.4014 58.9775 28.7374 178.7542 119 V 3.6199 7.7627 118.6998 65.6199 31.6503 176.1479 120 P 4.3192 0.0000 0.0000 65.7011 31.0663 178.0576 121 F 4.0972 8.5820 120.7639 61.2638 39.2451 177.1945 122 I 3.6623 8.0854 119.2352 64.1945 36.8792 178.2466 123 A 3.9549 8.0483 121.6715 55.2484 18.2412 179.0654 124 Y 3.9893 8.2184 118.2845 60.7096 38.8150 177.8263 125 L 3.5138 7.7555 121.6118 58.1398 41.9985 178.7212 126 Q 3.8581 8.1627 119.6535 59.2106 29.0757 178.2885 127 R 4.1213 7.8547 121.0797 58.9191 29.9032 178.2968 128 C 4.0212 7.9175 116.7650 62.8133 27.9978 176.1238 129 I 3.7172 7.9197 121.6031 64.4107 36.1347 178.1550 130 D 4.4062 8.4011 119.9257 57.2606 40.5741 178.6813 131 A 3.9995 7.8340 121.0601 55.1449 18.2873 179.8154 132 V 3.7004 7.6453 116.9047 66.0614 31.5291 178.3294 133 G 3.3493 8.4607 105.7224 47.7637 0.0000 175.3768 134 L 3.8666 8.0784 122.4919 57.6030 42.1039 178.8124 135 A 3.9583 7.9808 120.8436 55.2603 18.3866 179.2958 136 Q 3.8515 8.2164 118.2739 59.2617 28.9626 178.3315 137 Q 3.8506 8.0461 120.5863 59.4514 29.0132 178.8338 138 V 3.6246 8.1186 113.7485 64.4216 31.3009 178.7053 139 I 3.8073 7.7096 118.9464 64.3347 36.6762 177.8955 140 N 4.5260 8.1869 117.4640 56.0740 38.3541 177.0269 141 E 4.1438 8.5859 120.4774 58.5139 29.7091 178.4645 142 L 3.8412 7.8631 120.8133 58.1747 41.8355 178.3031 143 D 4.3681 7.8221 118.0015 57.3967 40.6454 178.3757 144 D 4.5933 7.8588 119.3128 57.6258 40.4240 179.1030 145 L 3.8220 7.6997 118.6771 57.5316 41.3968 179.5052 146 L 3.9348 7.6742 118.0795 57.7368 41.6937 179.0196 147 E 4.0848 9.0065 118.0188 57.4378 29.8756 177.7632 148 A 4.5315 8.4068 115.9321 50.4377 18.6590 178.1226 149 G 3.6871 9.7256 109.8084 47.6432 0.0000 172.6212 150 F 4.5492 7.7753 115.2888 56.2605 39.9342 173.7219 151 R 4.0421 8.5230 121.5543 59.3230 28.9572 174.3761 152 G 3.9662 9.2281 117.0249 45.5619 0.0000 175.4285 153 R 3.9154 8.5214 121.1813 58.7942 29.8507 178.3359 154 E 3.8977 8.0763 118.3472 59.3439 29.3588 179.2902 155 V 3.7032 7.7840 120.2703 66.6637 31.6194 178.4925 156 D 4.3879 8.1018 120.4939 58.2239 39.4593 180.0090 157 F 4.1817 8.0065 121.1205 61.2674 39.5190 177.1792 158 V 3.7997 7.8580 116.2819 65.9408 31.6419 177.3905 159 A 4.1860 8.3030 120.8493 54.9346 18.1401 179.9691 160 K 4.0758 7.9104 115.0099 57.2702 31.9047 178.5806 *162 I 4.0781 7.7051 120.0433 60.9999 39.3327 177.6706 163 N 4.2912 8.2736 117.5817 56.5385 38.4298 177.3708 164 E 3.9645 8.2656 119.8819 59.1748 29.5325 179.2024 165 L 3.9523 7.7807 119.9938 58.1394 42.2174 178.3682 166 D 4.3925 8.3668 119.1965 57.4935 40.6467 178.9773 167 I 3.6841 7.5558 119.5478 64.5237 37.0703 178.6278 168 I 3.7185 7.6130 120.1854 64.4008 36.9064 178.3210 169 E 4.0865 8.6736 121.1199 58.7023 29.2935 178.9868 170 E 3.9146 8.3596 119.3194 59.4800 29.6589 178.6743 171 D 4.3883 7.8973 118.8275 57.6396 40.7787 178.9586 172 T 4.0072 8.2519 110.5832 64.8912 68.7411 176.3180 173 D 4.4064 8.6276 122.1754 57.1976 40.8541 178.4823 174 D 4.3444 8.1816 119.2833 57.5186 40.9025 178.9448 175 L 4.0189 8.2300 119.6295 57.6801 41.5486 179.4313 176 Q 3.3602 8.2462 119.7386 58.8164 28.8942 178.2518 177 I 3.6286 7.6903 120.8533 64.3949 37.1695 177.9478 178 Q 3.9404 8.0535 120.3394 59.2842 28.8416 178.4310 179 L 3.9006 7.8609 121.0282 58.2923 42.0575 179.1857 180 R 4.0143 8.0921 118.1071 59.0916 30.0708 179.0177 181 R 3.9955 8.4143 119.0588 59.6370 29.8843 178.6905 182 Q 4.0360 8.0942 116.8827 58.6873 28.9769 178.0746 183 L 4.0058 8.0293 121.4588 58.0870 41.5873 178.6607 184 F 4.6868 8.8757 121.9398 60.9161 39.0736 176.9973 185 A 3.8788 7.9017 118.8229 54.4408 18.3574 178.7243 186 L 4.2786 7.7813 116.2728 55.6621 41.8413 178.4249 187 E 3.9529 7.7236 118.8823 59.7468 29.2609 179.3986 188 S 4.2862 7.9541 111.7930 60.5431 63.1854 175.1148 189 E 4.3974 8.1049 120.7902 55.6671 29.8676 175.3910 190 L 4.8536 6.8560 118.1385 51.9071 45.4613 176.1961 191 N 4.5255 8.4468 118.6311 52.8967 40.3515 174.1705 192 P 4.3164 0.0000 0.0000 65.9766 31.4173 178.6876 193 V 3.8269 8.2264 117.6493 65.9684 31.6949 177.3459 194 D 4.6972 8.3357 118.2265 57.3432 40.6683 178.9301 195 V 3.6823 7.7369 114.9951 64.4194 31.5117 177.3028 *197 F 4.4450 8.0105 117.6428 57.1936 41.1737 177.4519 198 L 3.9370 8.2489 120.9122 58.0001 41.3589 178.9715 199 Y 4.0715 7.8710 116.6510 61.0264 37.7812 178.9379 200 K 3.4672 7.7470 118.8315 59.4070 31.9606 179.3243 201 T 4.0508 7.7462 115.9673 66.7587 68.4330 176.6358 202 I 3.9716 7.9046 121.6926 64.4452 37.1463 178.1387 203 E 4.0045 8.2594 119.9698 59.2067 29.3054 178.8190 204 W 4.5895 8.3387 117.9987 59.8698 29.4260 178.4024 205 V 3.9373 8.5628 118.5332 66.0930 31.0450 178.1568 206 G 4.0086 7.9847 106.9522 47.2551 0.0000 175.6197 207 G 3.8716 8.3752 107.6357 47.5711 0.0000 175.6872 208 L 3.9975 7.9676 121.0249 57.8501 41.6643 179.4384 209 A 4.0364 7.8128 120.1683 55.0518 18.4979 179.2162 210 D 4.3457 8.1864 117.5336 57.5824 41.0263 179.0327 211 L 4.0155 8.2987 119.4804 57.7254 41.6642 179.3968 212 A 4.0369 8.0868 120.7987 55.1130 18.2780 179.2718 213 E 3.9086 8.3424 117.8257 59.5554 29.7230 179.2814 214 R 3.9465 8.0024 117.9266 59.0286 30.0577 179.1695 215 V 3.6997 7.7848 117.8500 66.1063 31.6004 178.4079 216 G 3.6852 7.9705 104.8703 47.8891 0.0000 175.8598 217 S 4.1913 8.2130 117.5126 61.3565 62.5932 176.7081 218 R 3.9139 7.9483 120.6038 59.3168 29.9088 178.1860 219 L 4.1314 7.7648 117.7959 57.8736 41.9851 178.7489 220 E 4.1780 8.3287 119.1328 59.1094 29.6480 179.3383 221 L 3.9967 7.7972 117.4780 55.1414 41.8322 178.9733 *223 L 4.1988 8.0204 121.0691 54.7741 43.4787 178.5530 224 A 4.3169 7.7381 118.9846 53.3664 18.6292 178.3547 225 R 4.1345 7.5431 116.2441 58.6966 30.7301 177.7810 226 V 3.8212 7.2183 118.0439 60.9338 31.5139 179.6305 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 8 G 8.45 3.80 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 0.00 9 V 7.80 4.09 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 0.79 0.00 0.00 0.93 0.00 0.00 10 F 8.60 4.69 0.00 3.05 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 11 A 8.64 4.14 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 0.00 0.00 12 K 8.21 4.72 0.00 1.99 1.70 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 0.94 7.81 13 S 8.40 4.27 0.00 3.85 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 14 P 0.00 4.34 0.00 2.21 2.17 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 15 I 7.81 3.96 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.91 0.00 0.00 16 K 8.07 4.55 0.00 1.93 1.89 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.22 7.81 17 P 0.00 4.26 0.00 2.20 2.09 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 L 7.81 4.05 0.00 1.77 1.74 0.91 0.96 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 19 Q 8.38 4.22 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 20 E 8.47 4.11 0.00 1.96 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 2.24 2.19 0.00 21 H 8.11 4.58 0.00 3.21 3.46 0.00 5.58 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 D 8.06 4.58 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.99 3.95 0.00 1.89 1.92 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.52 7.81 25 V 7.91 3.53 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 1.05 0.00 0.00 0.88 0.00 0.00 26 Y 8.04 4.09 0.00 3.08 3.14 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 27 D 8.06 4.22 0.00 2.89 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 28 C 8.12 4.16 0.00 3.06 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 29 A 8.18 3.94 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 0.00 0.00 30 S 8.03 3.86 0.00 3.79 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 31 L 7.63 4.18 0.00 1.79 1.71 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.05 4.22 0.00 1.91 2.07 1.01 0.65 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 33 V 7.81 3.76 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 1.19 0.00 0.00 0.94 0.00 0.00 34 P 0.00 4.32 0.00 2.33 2.31 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 35 F 8.36 4.03 0.00 3.14 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 36 F 8.65 3.94 0.00 3.40 3.21 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 37 E 8.79 3.94 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 38 A 7.93 3.82 1.12 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 0.00 0.00 39 T 7.08 2.48 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 40 I 7.51 3.81 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.60 0.94 0.00 0.00 41 T 7.40 4.22 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 1.19 0.00 0.00 42 G 7.21 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 43 N 7.43 4.60 0.00 2.68 2.61 0.00 0.00 7.23 7.52 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 44 W 8.31 4.20 0.00 3.42 3.21 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 45 D 8.21 4.47 0.00 2.68 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 46 D 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0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.22 3.99 0.00 2.95 2.97 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 0.00 125 L 7.76 3.51 0.00 0.97 1.50 0.85 0.89 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 0.00 126 Q 8.16 3.86 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 127 R 7.85 4.12 0.00 2.11 1.82 0.00 3.41 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 128 C 7.92 4.02 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.92 3.72 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.81 0.00 0.00 130 D 8.40 4.41 0.00 2.87 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 0.00 131 A 7.83 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.65 3.70 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 1.30 0.00 0.00 1.03 0.00 0.00 133 G 8.46 3.35 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 0.00 0.00 0.00 0.00 134 L 8.08 3.87 0.00 1.73 1.83 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.98 3.96 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 0.00 136 Q 8.22 3.85 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 137 Q 8.05 3.85 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 138 V 8.12 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 0.72 0.00 0.00 1.04 0.00 0.00 139 I 7.71 3.81 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.48 0.93 0.00 0.00 140 N 8.19 4.53 0.00 2.88 2.85 0.00 0.00 6.60 7.66 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 0.00 141 E 8.59 4.14 0.00 2.32 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 2.39 2.34 0.00 142 L 7.86 3.84 0.00 1.98 1.79 0.58 1.17 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 0.00 143 D 7.82 4.37 0.00 2.76 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 0.00 144 D 7.86 4.59 0.00 2.92 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 0.00 145 L 7.70 3.82 0.00 1.55 1.46 0.16 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.67 3.93 0.00 1.69 1.68 0.88 0.66 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 0.00 147 E 9.01 4.08 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 148 A 8.41 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 9.73 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 0.00 150 F 7.78 4.55 0.00 3.17 3.13 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 0.00 151 R 8.52 4.04 0.00 1.86 1.81 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 152 G 9.23 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 0.00 0.00 0.00 153 R 8.52 3.92 0.00 1.31 1.58 0.00 3.22 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 154 E 8.08 3.90 0.00 2.12 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 0.00 2.40 1.94 0.00 155 V 7.78 3.70 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 1.10 0.00 0.00 0.95 0.00 0.00 156 D 8.10 4.39 0.00 2.72 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 0.00 157 F 8.01 4.18 0.00 3.14 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 0.00 158 V 7.86 3.80 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 0.91 0.00 0.00 1.12 0.00 0.00 159 A 8.30 4.19 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 0.00 160 K 7.91 4.08 0.00 1.87 1.76 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.39 7.81 *162 I 7.71 4.08 1.99 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 1.41 0.73 0.94 0.00 0.00 163 N 8.27 4.29 0.00 2.85 2.84 0.00 0.00 7.07 7.25 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 0.00 164 E 8.27 3.96 0.00 1.94 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 2.28 2.41 0.00 165 L 7.78 3.95 0.00 1.78 1.78 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.37 4.39 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 0.00 167 I 7.56 3.68 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.90 0.00 0.00 168 I 7.61 3.72 1.86 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 1.51 0.79 0.90 0.00 0.00 169 E 8.67 4.09 0.00 2.15 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 2.34 2.30 0.00 170 E 8.36 3.91 0.00 2.26 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 2.31 2.23 0.00 171 D 7.90 4.39 0.00 2.85 2.72 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 0.00 172 T 8.25 4.01 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 1.21 0.00 0.00 173 D 8.63 4.41 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 D 8.18 4.34 0.00 2.87 2.72 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 0.00 175 L 8.23 4.02 0.00 1.99 1.81 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 176 Q 8.25 3.36 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 177 I 7.69 3.63 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.55 0.89 0.00 0.00 178 Q 8.05 3.94 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 179 L 7.86 3.90 0.00 1.88 1.60 0.99 0.60 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 0.00 180 R 8.09 4.01 0.00 2.10 2.08 0.00 3.17 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 181 R 8.41 4.00 0.00 1.97 2.19 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 182 Q 8.09 4.04 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 183 L 8.03 4.01 0.00 1.64 1.63 0.73 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 184 F 8.88 4.69 0.00 3.27 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 0.00 185 A 7.90 3.88 1.35 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 0.00 0.00 0.00 186 L 7.78 4.28 0.00 1.88 1.67 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 187 E 7.72 3.95 0.00 2.09 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 2.46 2.67 0.00 188 S 7.95 4.29 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 0.00 189 E 8.10 4.40 0.00 2.03 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 2.27 2.30 0.00 190 L 6.86 4.85 0.00 1.62 1.54 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 191 N 8.45 4.53 0.00 2.77 2.86 0.00 0.00 6.63 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 0.00 192 P 0.00 4.32 0.00 2.29 2.20 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 193 V 8.23 3.83 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 1.14 0.00 0.00 1.01 0.00 0.00 194 D 8.34 4.70 0.00 2.94 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 0.00 195 V 7.74 3.68 2.35 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 1.22 0.00 0.00 1.03 0.00 0.00 *197 F 8.01 4.45 0.00 3.23 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 0.00 198 L 8.25 3.94 0.00 1.67 1.48 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 7.87 4.07 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 K 7.75 3.47 0.00 1.31 0.74 0.00 1.32 0.00 0.00 0.98 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 0.95 7.81 201 T 7.75 4.05 4.46 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 1.51 0.00 0.00 202 I 7.90 3.97 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.79 0.00 0.00 203 E 8.26 4.00 0.00 2.00 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 2.38 2.39 0.00 204 W 8.34 4.59 0.00 3.71 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 V 8.56 3.94 2.41 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 0.59 0.00 0.00 1.15 0.00 0.00 206 G 7.98 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 0.00 0.00 0.00 207 G 8.38 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 0.00 208 L 7.97 4.00 0.00 1.78 1.73 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 209 A 7.81 4.04 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 0.00 210 D 8.19 4.35 0.00 2.90 2.76 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 0.00 211 L 8.30 4.02 0.00 1.86 1.74 0.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 212 A 8.09 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.34 3.91 0.00 2.07 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 0.00 2.32 2.36 0.00 214 R 8.00 3.95 0.00 2.12 1.98 0.00 3.28 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 215 V 7.78 3.70 2.31 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 1.03 0.00 0.00 1.01 0.00 0.00 216 G 7.97 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 0.00 217 S 8.21 4.19 0.00 4.07 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 0.00 218 R 7.95 3.91 0.00 1.80 2.14 0.00 3.32 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 219 L 7.76 4.13 0.00 1.89 1.81 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 220 E 8.33 4.18 0.00 2.20 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 2.33 2.40 0.00 221 L 7.80 4.00 0.00 1.91 1.66 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *223 L 8.02 4.20 0.00 1.85 1.69 0.70 0.59 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 0.00 224 A 7.74 4.32 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 0.00 225 R 7.54 4.13 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 226 V 7.22 3.82 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.