NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1443 8.1627 120.2747 54.7733 33.2438 173.9054 2 K 3.9608 8.4613 128.1074 55.9688 32.6092 175.1443 3 G 3.9775 8.7238 116.1454 45.0132 0.0000 171.5233 4 D 4.5694 8.4815 119.6058 54.3321 41.8550 177.0238 5 T 3.8676 8.9024 122.9354 66.8883 68.4964 176.5819 6 K 3.8065 8.1611 120.8944 59.1667 32.2597 178.8331 7 V 3.8924 8.6537 119.0555 66.1892 31.3732 178.0925 8 I 3.7907 7.7968 119.3361 64.4266 36.8535 178.0655 9 N 4.2288 8.3204 117.4468 56.4943 38.3548 177.0409 10 Y 4.0687 8.0594 118.0398 61.1000 38.0244 178.4193 11 L 3.8123 8.4548 120.2280 58.1535 41.6848 179.5567 12 N 4.3948 8.4527 116.4676 55.9224 38.4040 177.5209 13 K 3.8695 8.1453 121.3369 59.4171 32.3593 178.8600 14 L 3.8504 8.2068 119.6046 57.6584 41.3884 179.0837 15 L 4.0876 7.8985 120.7009 58.2542 41.9583 179.2634 16 G 3.6141 8.2230 105.7326 47.8688 0.0000 175.3833 17 N 4.3569 8.0738 118.8343 56.2605 38.4790 177.4516 18 E 4.1494 8.4217 120.2161 59.2285 29.1069 179.3513 19 L 4.2101 8.3635 120.3851 58.3931 40.4856 179.7841 20 V 3.6282 7.8526 120.1801 64.6224 31.3933 178.1286 21 A 3.8061 8.0943 121.5857 54.7828 18.1978 179.3389 22 I 3.7402 8.3071 118.6006 65.0051 37.2637 178.4020 23 N 4.3997 7.8282 115.7118 56.3374 38.3348 177.4303 24 Q 3.8362 8.3289 121.2423 59.3250 29.1127 177.8027 25 Y 4.3588 8.4221 118.2189 61.0008 37.9105 178.3299 26 F 3.8191 8.4537 121.6501 61.0829 39.4945 176.8994 27 L 3.9674 8.1918 119.9727 58.4691 41.8346 178.4683 28 H 3.7891 8.2482 115.8985 58.7742 28.6623 177.1697 29 A 4.1573 8.3052 122.8062 55.7942 18.1016 179.9621 30 R 3.8541 7.8017 115.3888 58.6628 30.0513 179.2974 31 M 3.4193 7.8100 119.3037 58.1628 31.8208 178.3176 32 F 4.5918 7.4900 118.2109 60.7628 39.1216 177.7710 33 K 3.9312 8.2033 118.9412 59.4960 31.8043 178.1858 34 N 4.2644 7.9813 116.2329 56.6301 38.9879 176.3991 35 W 4.7500 7.9783 117.5317 57.6600 29.5585 177.2514 36 G 3.9931 8.4612 108.3306 45.9124 0.0000 174.1100 37 L 4.6374 8.1858 121.8436 52.9877 38.3645 177.2781 38 K 3.8237 7.9335 122.6717 60.0379 32.5202 177.2664 39 R 3.9612 8.1318 118.5392 59.1717 30.0684 178.4317 40 L 4.1047 7.7571 118.4196 57.3933 41.5552 178.7870 41 N 4.5355 8.1777 116.9257 56.7629 38.9482 176.5230 42 D 4.3073 8.1497 120.2859 57.4677 40.9787 179.1740 43 V 3.3490 7.6952 118.3950 66.1012 31.4454 178.0053 44 E 3.7976 8.2658 118.3257 59.1592 29.2541 178.6813 45 Y 3.8619 8.1320 119.8267 61.1470 39.0433 178.0959 46 H 4.1374 8.1624 116.6740 58.5343 28.6884 177.6192 47 E 3.6469 7.7302 120.7672 58.6825 29.1562 178.8079 48 S 4.1566 7.9010 113.5049 61.6645 62.4378 176.3658 49 I 3.5740 7.3798 122.2459 64.2128 36.8508 177.8967 50 D 4.1725 7.6984 118.4805 57.5312 41.0436 178.3432 51 E 4.2839 8.1177 120.1412 58.8657 29.2921 179.3020 52 M 4.0521 7.9616 119.1339 58.3104 32.0052 178.7245 53 K 3.8886 7.9713 118.6081 59.7797 32.1744 179.1337 54 H 4.0632 8.0458 115.8500 58.7189 28.5930 177.5579 55 A 4.2136 8.2507 122.7459 55.3196 18.1413 178.9010 56 D 4.3143 8.3168 116.6521 57.8487 41.2402 178.9344 57 R 3.8636 7.7982 118.2413 59.3604 30.0019 178.6424 58 Y 4.3659 7.8301 116.4934 61.2572 37.9123 178.7671 59 I 3.7789 8.2630 121.0079 64.6458 37.2785 178.4589 60 E 4.0726 8.5230 119.5506 59.1504 29.1417 179.5158 61 R 4.0565 8.0352 118.9249 59.5042 30.2720 178.3001 62 I 3.7658 8.4692 119.9770 64.6849 37.1175 178.4093 63 L 4.0647 8.0812 119.5878 57.6975 41.2436 179.2937 64 F 4.3717 8.1203 119.6219 61.2597 39.6781 176.5033 65 L 4.3180 8.2361 117.7892 53.9780 41.1691 177.1519 66 E 3.9046 8.0268 117.6468 57.4537 27.0853 174.4227 67 G 3.9691 8.2960 108.4999 43.9876 0.0000 173.6039 68 L 4.5406 8.0191 119.0471 52.0222 42.1183 175.1606 69 P 4.4187 0.0000 0.0000 62.4777 31.8116 176.0428 70 N 4.7241 9.3612 121.9830 52.4118 38.7975 173.9521 71 L 4.6173 8.3259 124.1691 54.5623 42.4992 177.5110 72 Q 4.1299 8.4844 121.7686 58.2826 29.3537 175.9582 73 D 4.6440 8.0477 116.8044 53.0730 41.8354 175.3316 74 L 4.5801 8.2816 125.1919 52.7407 44.1543 176.3252 75 G 3.8003 8.5065 115.1631 44.5993 0.0000 172.1774 76 K 4.0221 8.3106 120.6771 56.0519 32.3193 176.4073 77 L 4.1281 8.3317 126.7355 54.4418 42.3146 176.2090 78 N 4.8212 8.8637 120.4958 52.0670 40.4450 174.2457 79 I 3.8878 8.5634 126.7225 64.0516 37.7853 178.1251 80 G 4.1683 8.2824 102.2154 45.9330 0.0000 172.5883 81 E 4.7500 8.7052 116.4635 55.7048 31.8057 176.1838 82 D 5.0531 7.7226 117.6708 50.3365 44.0574 176.1492 83 V 4.0319 8.4953 118.5999 66.6101 31.3525 177.2769 84 E 3.8324 8.2328 117.9614 59.5268 29.4726 178.1446 85 E 4.0022 8.6184 119.2960 59.6707 29.6587 178.7568 86 M 4.2499 8.4583 117.2221 58.2145 31.4081 178.6091 87 L 4.1587 8.6809 120.4671 57.6796 41.7553 179.4137 88 R 3.9145 8.5994 119.0749 59.3921 30.0586 178.5782 89 S 4.1110 8.1186 113.1619 61.3406 62.4152 175.8061 90 D 4.2622 8.1852 121.6563 57.1368 40.5359 178.4255 91 L 4.0150 8.2323 120.6367 58.2982 42.1346 178.8548 92 A 4.0084 8.2504 120.7852 55.1050 18.2447 179.4063 93 L 3.9102 7.8942 118.5633 58.3240 42.1769 179.0577 94 E 4.0636 8.3773 118.5622 59.4333 29.5201 179.2812 95 L 4.0545 8.1578 119.0513 58.0858 41.7562 179.4359 96 D 4.5293 8.4302 118.9381 57.1962 40.6452 179.0915 97 G 3.6419 8.3176 106.2840 47.5445 0.0000 175.7012 98 A 4.0255 8.5600 123.5898 54.6934 18.3413 179.5627 99 K 3.8510 7.9388 117.6350 59.9236 32.2682 178.6369 100 N 4.3637 8.0824 116.5103 56.4712 38.3734 177.4288 101 L 3.9775 8.2124 120.3806 57.7871 41.6175 179.6951 102 R 3.8851 8.2733 118.3318 59.1366 29.9404 178.7084 103 E 3.8325 8.1416 118.7467 59.2860 29.6217 178.7098 104 A 2.7654 7.8283 120.9157 54.7612 18.4625 179.5967 105 I 3.7065 7.9451 118.6389 64.5363 36.9749 178.9388 106 G 3.5998 7.8289 106.2862 47.8724 0.0000 175.2102 107 Y 4.0415 8.0432 122.7043 59.7220 38.8159 177.4114 108 A 3.8277 8.2632 122.1280 55.2945 18.5434 179.0828 109 D 4.0845 7.9066 116.2962 57.3743 41.3292 178.5219 110 S 4.1207 7.4942 114.2443 60.2800 62.9579 175.7281 111 V 4.0508 6.7719 114.0386 60.7047 31.4555 175.8399 112 H 2.8134 6.9591 113.8706 56.6904 27.0193 176.4455 113 D 4.5337 7.4165 121.2077 53.4519 37.6568 176.2557 114 Y 4.3432 7.4071 121.3841 60.5731 38.3868 178.3418 115 V 3.7177 7.8377 119.9762 64.8369 31.7975 178.2659 116 S 4.1647 8.3411 116.0387 61.3979 62.6099 176.7285 117 R 3.8847 8.1151 121.0860 59.4899 29.9482 178.0533 118 D 4.3058 8.3120 117.7930 57.5880 41.3857 177.7839 119 M 4.0146 8.3361 118.9529 59.0673 32.1509 178.1439 120 M 4.1791 8.2934 118.9071 58.3747 32.1071 178.8569 121 I 3.7309 8.1315 120.4032 64.3266 37.3322 178.2756 122 E 3.9813 8.0709 119.0152 59.3953 29.2827 179.4819 123 I 3.4957 7.5932 119.4861 64.2496 37.1634 178.1690 124 L 3.9700 8.1214 121.3225 58.1877 41.9916 178.9594 125 R 3.9590 8.1035 118.6208 59.5979 29.9756 178.3043 126 D 4.3671 7.9924 118.5431 57.1289 40.7652 178.6851 127 E 3.9158 8.1900 119.2880 59.3584 29.4779 178.6430 128 E 4.1256 8.7252 119.9552 59.3528 29.5526 179.1812 129 G 3.6475 7.9348 105.1634 48.2221 0.0000 175.3680 130 H 4.4390 8.0904 119.0552 58.5827 28.6715 177.7755 131 I 3.8108 8.4026 122.0355 64.5625 37.0008 177.7024 132 D 4.3759 8.4182 118.8081 57.2094 40.9787 178.2233 133 W 4.1166 8.3534 128.5772 60.5130 30.7745 177.8065 134 L 3.7688 8.5695 119.2325 57.8810 41.1022 179.3428 135 E 3.9208 8.3819 118.4942 59.7423 29.3169 179.6566 136 T 3.7733 7.7943 115.5453 66.5481 68.5342 176.4648 137 E 3.7287 7.6834 120.4624 59.4674 29.0349 179.4491 138 L 3.7831 7.7196 118.7657 57.9497 41.6221 179.4648 139 D 4.3692 8.1621 118.7903 57.1335 40.6355 178.7477 140 L 3.9862 8.0457 119.9831 57.7197 41.7083 179.4948 141 I 3.3831 7.3795 119.7272 64.4749 36.7422 178.5437 142 Q 3.9749 7.3566 116.3872 58.7869 28.5932 178.5650 143 K 4.1447 7.9904 119.0509 58.7989 32.2927 178.4087 144 M 4.3975 8.3483 114.7749 53.9575 32.4993 177.2692 145 G 4.1048 7.4960 105.1071 45.9755 0.0000 174.4381 146 L 3.9462 8.4090 121.3506 58.0314 42.1718 179.2454 147 Q 4.0040 8.0912 117.4520 59.3801 28.8548 178.7327 148 N 4.3764 8.1679 116.6925 56.3566 38.3449 176.7647 149 Y 4.0056 7.8016 120.2767 60.5806 39.2038 177.6849 150 L 4.0602 8.3326 120.2491 57.9489 41.6542 179.2102 151 Q 4.0074 8.1244 119.1665 59.1093 28.7177 177.7633 152 A 4.1722 7.5210 118.8253 53.3635 18.8139 178.1988 153 Q 4.2842 8.0172 116.3847 55.7522 29.2108 177.6132 154 I 4.0214 7.2983 120.9864 62.7327 37.4612 176.5254 155 R 4.6688 7.5542 118.0086 53.7812 32.2316 175.6154 156 E 4.1209 8.4643 119.8147 55.8879 30.5171 175.8893 157 E 4.0307 8.5514 122.4350 55.5291 30.3603 176.6305 *158 G 3.7324 8.6141 114.2187 45.8881 0.0000 172.1398 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 1 M 8.16 4.14 0.00 1.48 1.74 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.46 3.96 0.00 1.84 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.72 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 4 D 8.48 4.57 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.90 3.87 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 1.18 0.00 0.00 6 K 8.16 3.81 0.00 1.70 1.96 0.00 1.45 0.00 0.00 1.11 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.56 0.96 7.81 7 V 8.65 3.89 2.37 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 1.09 0.00 0.00 1.21 0.00 0.00 8 I 7.80 3.79 2.03 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 1.55 0.67 0.91 0.00 0.00 9 N 8.32 4.23 0.00 2.63 2.63 0.00 0.00 7.05 7.48 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 10 Y 8.06 4.07 0.00 3.19 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 L 8.45 3.81 0.00 1.99 1.76 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.45 4.39 0.00 2.88 2.82 0.00 0.00 6.70 8.61 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 13 K 8.15 3.87 0.00 1.74 1.96 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.21 3.85 0.00 0.92 1.26 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.90 4.09 0.00 1.70 1.85 1.08 1.14 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 16 G 8.22 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 17 N 8.07 4.36 0.00 3.00 2.92 0.00 0.00 7.05 7.73 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 18 E 8.42 4.15 0.00 2.26 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 2.79 2.85 0.00 19 L 8.36 4.21 0.00 1.88 1.96 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.85 3.63 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 0.89 0.00 0.00 0.90 0.00 0.00 21 A 8.09 3.81 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.31 3.74 2.05 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 1.75 0.79 0.91 0.00 0.00 23 N 7.83 4.40 0.00 2.93 2.86 0.00 0.00 6.76 7.72 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 24 Q 8.33 3.84 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 25 Y 8.42 4.36 0.00 3.16 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 26 F 8.45 3.82 0.00 3.43 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.19 3.97 0.00 1.95 1.58 0.88 0.88 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 28 H 8.25 3.79 0.00 3.56 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.31 4.16 1.34 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 0.00 0.00 0.00 30 R 7.80 3.85 0.00 1.74 1.88 0.00 3.26 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.67 0.00 31 M 7.81 3.42 0.00 0.87 1.60 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 32 F 7.49 4.59 0.00 3.30 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 33 K 8.20 3.93 0.00 1.98 1.91 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.98 4.26 0.00 2.68 2.67 0.00 0.00 7.34 8.44 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 35 W 7.98 4.75 0.00 3.74 3.17 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 36 G 8.46 3.99 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 0.00 0.00 0.00 37 L 8.19 4.64 0.00 2.22 1.69 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.93 3.82 0.00 1.99 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.59 7.81 39 R 8.13 3.96 0.00 2.04 2.01 0.00 3.46 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.76 4.10 0.00 1.69 1.06 1.08 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.54 0.00 3.14 3.02 0.00 0.00 7.13 7.86 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 42 D 8.15 4.31 0.00 2.87 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 43 V 7.70 3.35 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 -0.56 0.00 0.00 0.77 0.00 0.00 44 E 8.27 3.80 0.00 2.30 2.33 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 2.48 3.01 0.00 45 Y 8.13 3.86 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.14 0.00 3.24 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.73 3.65 0.00 1.25 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 1.47 1.80 0.00 48 S 7.90 4.16 0.00 3.96 3.90 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 49 I 7.38 3.57 1.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.52 0.84 0.00 0.00 50 D 7.70 4.17 0.00 2.91 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 51 E 8.12 4.28 0.00 2.14 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 2.72 2.67 0.00 52 M 7.96 4.05 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 53 K 7.97 3.89 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.05 4.06 0.00 3.53 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.25 4.21 1.46 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 0.00 0.00 56 D 8.32 4.31 0.00 2.89 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 57 R 7.80 3.86 0.00 1.81 1.80 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 58 Y 7.83 4.37 0.00 3.24 2.95 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 59 I 8.26 3.78 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.95 0.00 0.00 60 E 8.52 4.07 0.00 2.02 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 0.00 2.35 2.47 0.00 61 R 8.04 4.06 0.00 2.14 2.23 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.47 3.77 1.94 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 1.58 0.64 0.95 0.00 0.00 63 L 8.08 4.06 0.00 2.11 1.79 0.95 1.10 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 64 F 8.12 4.37 0.00 2.97 3.33 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 65 L 8.24 4.32 0.00 1.84 1.63 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.03 3.90 0.00 2.07 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 2.16 2.27 0.00 67 G 8.30 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 68 L 8.02 4.54 0.00 1.60 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.36 4.72 0.00 2.59 2.78 0.00 0.00 7.07 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.33 4.62 0.00 1.63 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.48 4.13 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 73 D 8.05 4.64 0.00 2.69 2.56 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 74 L 8.28 4.58 0.00 1.52 1.50 0.91 1.05 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 75 G 8.51 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 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.56 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.86 4.82 0.00 2.62 2.69 0.00 0.00 7.19 7.27 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 79 I 8.56 3.89 1.89 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 1.34 0.93 0.92 0.00 0.00 80 G 8.28 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 0.00 0.00 0.00 81 E 8.71 4.75 0.00 2.00 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 0.00 2.27 2.31 0.00 82 D 7.72 5.05 0.00 2.82 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 83 V 8.50 4.03 2.20 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 1.02 0.00 0.00 1.24 0.00 0.00 84 E 8.23 3.83 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 85 E 8.62 4.00 0.00 2.39 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 2.35 2.36 0.00 86 M 8.46 4.25 0.00 2.28 1.77 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.06 0.00 87 L 8.68 4.16 0.00 2.03 1.78 1.26 0.72 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 88 R 8.60 3.91 0.00 2.10 1.95 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.12 4.11 0.00 4.05 4.06 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 90 D 8.19 4.26 0.00 3.14 2.80 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 91 L 8.23 4.01 0.00 1.83 1.91 0.98 0.84 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 92 A 8.25 4.01 1.34 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 0.00 0.00 0.00 93 L 7.89 3.91 0.00 1.91 1.80 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.38 4.06 0.00 2.27 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 0.00 2.62 2.72 0.00 95 L 8.16 4.05 0.00 2.05 1.75 0.96 1.00 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 96 D 8.43 4.53 0.00 2.71 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 97 G 8.32 3.64 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 0.00 0.00 0.00 98 A 8.56 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.94 3.85 0.00 2.06 2.00 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.08 4.36 0.00 3.01 2.91 0.00 0.00 7.13 6.71 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 0.00 101 L 8.21 3.98 0.00 1.97 1.73 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.27 3.89 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 103 E 8.14 3.83 0.00 2.06 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 0.00 2.37 2.39 0.00 104 A 7.83 2.77 1.01 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 0.00 105 I 7.95 3.71 2.03 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 1.46 1.19 0.91 0.00 0.00 106 G 7.83 3.60 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 0.00 0.00 0.00 107 Y 8.04 4.04 0.00 3.12 2.95 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 0.00 108 A 8.26 3.83 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 0.00 109 D 7.91 4.08 0.00 2.88 2.80 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 0.00 110 S 7.49 4.12 0.00 3.95 3.99 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 0.00 111 V 6.77 4.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.66 0.00 0.00 112 H 6.96 2.81 0.00 3.18 3.30 0.00 5.84 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 0.00 113 D 7.42 4.53 0.00 2.62 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.41 4.34 0.00 3.12 2.95 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 0.00 115 V 7.84 3.72 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 1.00 0.00 0.00 0.97 0.00 0.00 116 S 8.34 4.16 0.00 4.19 4.06 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 0.00 117 R 8.12 3.88 0.00 1.91 2.21 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.31 4.31 0.00 3.01 2.84 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 0.00 119 M 8.34 4.01 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 120 M 8.29 4.18 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.82 0.00 121 I 8.13 3.73 1.88 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 1.03 0.92 0.00 0.00 122 E 8.07 3.98 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 123 I 7.59 3.50 1.94 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.75 0.78 0.00 0.00 124 L 8.12 3.97 0.00 1.84 1.85 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.10 3.96 0.00 2.01 2.11 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 126 D 7.99 4.37 0.00 2.95 2.80 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 0.00 127 E 8.19 3.92 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 128 E 8.73 4.13 0.00 2.27 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 2.34 2.38 0.00 129 G 7.93 3.65 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 0.00 0.00 0.00 130 H 8.09 4.44 0.00 3.54 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.40 3.81 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.97 0.00 0.00 132 D 8.42 4.38 0.00 2.96 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 0.00 133 W 8.35 4.12 0.00 3.54 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 0.00 134 L 8.57 3.77 0.00 1.97 1.76 1.39 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.92 0.00 2.20 1.98 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 2.33 2.49 0.00 136 T 7.79 3.77 4.18 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 1.16 0.00 0.00 137 E 7.68 3.73 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.72 3.78 0.00 1.72 1.62 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.16 4.37 0.00 2.76 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 0.00 140 L 8.05 3.99 0.00 1.84 1.84 0.95 0.89 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 0.00 141 I 7.38 3.38 1.69 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.05 0.70 0.00 0.00 142 Q 7.36 3.97 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 143 K 7.99 4.14 0.00 1.72 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.35 4.40 0.00 2.18 2.20 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 2.60 2.85 0.00 145 G 7.50 4.10 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 0.00 0.00 0.00 146 L 8.41 3.95 0.00 1.74 1.67 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.09 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.17 4.38 0.00 2.98 2.89 0.00 0.00 6.67 7.48 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 0.00 149 Y 7.80 4.01 0.00 3.03 3.17 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 0.00 150 L 8.33 4.06 0.00 2.04 1.70 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.12 4.01 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.52 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 0.00 153 Q 8.02 4.28 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 154 I 7.30 4.02 2.00 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 1.32 0.87 0.91 0.00 0.00 155 R 7.55 4.67 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.46 4.12 0.00 2.11 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 2.26 2.28 0.00 157 E 8.55 4.03 0.00 1.96 1.90 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 2.28 2.30 0.00 *158 G 8.61 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.