NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2055 8.1633 120.2858 54.6922 33.1588 174.2117 2 K 4.0273 8.4971 126.3603 56.1813 32.4612 175.7644 3 G 3.9412 8.6998 113.6985 44.8504 0.0000 172.0057 4 D 4.5507 8.4837 119.6527 54.4427 41.9327 177.0020 5 T 3.8641 8.9059 122.9366 66.8933 68.5897 176.6388 6 K 3.8577 8.1753 120.8386 59.0765 32.2246 178.8997 7 V 3.9041 8.5601 118.9633 66.1513 31.4435 177.8991 8 I 3.7459 7.7294 119.3524 64.6400 36.9012 178.0921 9 N 4.2524 8.2445 117.0841 56.4484 38.3420 177.0132 10 Y 4.1112 7.9707 117.9925 61.1948 38.0247 178.6837 11 L 3.9314 8.5959 120.1026 57.9832 41.6445 179.4741 12 N 4.3743 8.5322 116.7840 55.9550 38.4265 177.4688 13 K 3.8676 8.2926 121.5605 59.3987 32.3280 178.9218 14 L 3.8250 8.2006 119.6366 57.6363 41.3944 179.0636 15 L 4.0287 7.8624 120.7565 58.1229 41.9581 179.2433 16 G 3.6123 8.1273 105.6735 47.8811 0.0000 175.3112 17 N 4.3469 7.9845 119.0470 56.1305 38.6178 177.3506 18 E 4.0754 8.2864 119.8339 59.3923 29.4498 179.2677 19 L 3.9920 8.1858 119.1981 57.8419 41.6295 179.7920 20 V 3.5807 7.7484 117.4993 66.0829 31.5227 177.8865 21 A 3.8697 8.2079 120.5484 55.0622 18.1641 179.4474 22 I 3.7559 8.3983 118.6377 64.8733 37.1953 178.4394 23 N 4.3838 7.9149 117.1043 56.4059 38.3973 177.4083 24 Q 3.8386 8.3046 121.1967 59.3464 29.0531 177.9217 25 Y 4.3520 8.4857 118.2962 60.9443 37.9095 178.0562 26 F 3.8206 8.5731 121.6955 61.0581 39.5133 176.7698 27 L 3.9653 8.2764 120.0973 58.6115 41.8249 178.4648 28 H 3.8458 8.2338 115.7646 58.8093 28.6674 177.2290 29 A 4.1694 8.2822 122.7317 55.7287 18.1204 179.9392 30 R 3.9159 7.8188 115.5304 58.7046 30.1290 179.2964 31 M 3.5973 7.7929 119.2351 58.2172 31.8734 178.3703 32 F 4.5649 7.6865 118.2461 60.6919 39.1278 177.6918 33 K 3.9364 8.1257 118.9942 59.5388 31.7896 178.2608 34 N 4.2925 8.0348 116.2007 56.8325 38.9903 176.6248 35 F 4.7651 8.2069 118.0049 59.0326 39.3259 176.4807 36 G 3.9860 8.3288 107.0503 45.8659 0.0000 173.9858 37 L 4.6622 8.0752 122.2035 52.6148 38.2435 176.8948 38 K 3.8193 7.9455 123.0588 59.9102 32.5962 177.5475 39 R 3.9315 8.2750 118.8975 59.2758 29.9535 178.4679 40 L 4.1114 7.9218 118.9224 57.3427 41.4547 178.8374 41 N 4.5683 8.1844 116.7929 56.7705 38.9846 176.5107 42 D 4.3000 8.0754 120.2332 57.3722 41.1055 178.9559 43 V 3.3596 7.6153 118.4595 66.0863 31.4148 177.9683 44 E 3.8341 8.3606 118.4096 59.2255 29.2919 178.5944 45 Y 3.8162 8.1821 119.8392 61.1383 38.6575 178.0380 46 H 4.2008 8.3248 116.0000 57.8543 28.7127 177.1670 47 E 3.7562 7.4992 120.2475 58.1267 29.5266 178.3477 48 S 4.0785 7.8275 113.6143 61.5367 62.4508 176.2235 49 I 3.5552 7.3281 122.2946 64.3615 36.8294 177.8096 50 D 4.2041 7.4863 118.4380 57.5372 40.9891 178.3285 51 E 4.0794 8.1188 118.8096 59.2865 29.3169 179.2690 52 M 4.0576 7.9815 119.0965 58.3501 32.0505 178.6860 53 K 3.8932 8.0527 118.5522 59.8176 32.2013 179.1135 54 H 4.1083 8.0166 115.9394 58.7501 28.6138 177.4820 55 A 4.2325 8.3619 122.9372 55.4409 18.1734 178.9735 56 D 4.3136 8.4162 116.6698 57.7847 41.2415 178.8379 57 R 3.8766 7.8848 118.3095 59.4099 29.9889 178.6770 58 Y 4.3140 7.8954 116.4677 61.2533 37.8999 178.6959 59 I 3.7913 8.2958 121.1030 64.5653 37.1667 178.4320 60 E 4.0725 8.4849 119.5389 59.1735 29.2010 179.4303 61 R 4.0386 8.1558 118.9065 59.5228 30.1834 178.5277 62 I 3.7738 8.5240 119.9739 64.5401 37.1488 178.4248 63 L 4.0471 8.0796 119.7446 57.6991 41.2073 179.3671 64 F 4.4150 8.1993 119.7815 61.2642 39.7199 176.4721 65 L 4.5540 8.1822 117.8175 53.8715 41.1775 177.2015 66 E 3.8461 7.9587 117.5667 57.3743 27.0627 174.5976 67 G 3.9198 8.1532 108.8696 44.1651 0.0000 173.8233 68 L 4.5192 8.0015 119.1557 51.9882 41.8690 175.0502 69 P 4.3708 0.0000 0.0000 62.5829 31.7512 176.0279 70 N 4.7247 9.4508 122.2496 52.4044 38.7941 173.8332 71 L 4.6395 8.3391 124.1612 54.5594 42.4653 177.4527 72 Q 4.1479 8.5861 122.1960 58.0974 29.3990 175.9493 73 D 4.6733 8.0381 116.8551 52.9489 41.9233 175.2742 74 L 4.5978 8.2816 125.2357 52.8057 44.1947 176.6216 75 G 3.8170 8.4355 115.3740 44.6154 0.0000 171.8660 76 K 4.0881 8.3235 120.7800 55.8259 32.4199 176.7096 77 L 4.1173 8.3636 126.8065 54.3798 42.3148 176.0101 78 N 4.8333 8.8687 121.1482 52.1056 40.3035 174.0499 79 I 3.9289 8.5795 126.6628 63.7542 37.8971 177.9446 80 G 4.1724 8.1166 102.7626 45.8035 0.0000 172.5126 81 E 4.5876 8.6785 117.2605 56.2844 31.8950 176.8048 82 D 5.0937 7.6759 117.1293 50.8915 43.4010 176.7908 83 V 3.9578 8.4462 119.3271 66.6659 31.2947 177.5560 84 E 3.8404 8.2065 117.9099 59.5023 29.5184 178.2226 85 E 3.9710 8.4037 119.3043 59.5320 29.6135 178.7069 86 M 4.0888 8.2904 117.1503 58.2184 31.3898 178.5955 87 L 4.1474 8.4603 120.5431 57.6536 41.7542 179.4774 88 R 3.9046 8.4437 119.1056 59.3421 30.0839 178.5580 89 S 4.0926 8.1341 113.1540 61.3640 62.3895 175.8178 90 D 4.2193 8.1672 121.6834 57.1342 40.4903 178.4891 91 L 3.9764 8.2079 120.6014 58.2810 42.1805 178.8036 92 A 3.9838 8.2102 120.7956 55.2326 18.2570 179.4019 93 L 3.9433 7.8885 118.5509 58.1105 42.0510 178.8374 94 E 4.0513 8.2776 119.4979 59.1402 29.7457 178.6785 95 L 4.0227 8.2295 119.2983 58.0475 41.8288 179.3169 96 D 4.5300 8.3617 118.9480 57.1687 40.7152 179.1038 97 G 3.6357 8.3557 106.2888 47.6409 0.0000 175.7044 98 A 4.0726 8.4212 123.5299 54.6036 18.4531 179.5421 99 K 3.8462 7.9513 117.7375 59.9912 32.2443 178.8253 100 N 4.4319 8.0799 116.1741 56.1508 38.3057 177.4639 101 L 3.9786 8.0407 120.4585 57.9023 41.6442 179.6657 102 R 3.8934 8.2220 118.1989 59.2231 29.8920 178.8020 103 E 3.8549 8.1094 118.5132 59.2383 29.6103 178.7119 104 A 2.8194 7.9281 121.0074 54.7748 18.3540 179.6353 105 I 3.7072 8.0107 118.7452 64.4804 36.9493 178.9136 106 G 3.5890 7.5975 105.3080 47.8420 0.0000 174.9136 107 Y 4.1010 7.7602 121.4485 60.3102 38.9134 177.3373 108 A 3.8201 8.1796 122.0448 55.3082 18.3936 179.0047 109 D 4.0840 7.9265 116.4929 57.4635 41.0935 178.5482 110 S 4.1649 7.5430 112.9319 60.1317 63.2793 175.7005 111 V 4.0064 6.8494 113.7869 60.7371 31.6214 175.6422 112 H 2.7778 7.1066 114.2270 56.6076 27.0415 176.4720 113 D 4.5539 7.3684 121.1222 53.5986 37.5447 176.2485 114 Y 4.3212 7.4769 121.4662 60.6392 38.4469 178.1881 115 V 3.7304 7.8945 119.9517 64.7202 31.7412 178.3755 116 S 4.1654 8.3836 115.8577 61.4336 62.6218 176.6769 117 R 3.8803 8.0193 121.2590 59.3868 29.9897 177.9989 118 D 4.3075 8.4251 118.0998 57.5999 41.2869 177.6992 119 M 3.9738 8.1901 118.7070 59.2210 32.1133 178.1709 120 M 4.1530 8.2353 118.6796 58.3863 32.0791 178.8579 121 I 3.7271 8.2569 120.5797 64.2306 37.2402 178.3042 122 E 3.9591 8.0969 119.1848 59.4738 29.2427 179.4534 123 I 3.5415 7.6206 119.7474 64.0940 37.1296 178.1648 124 L 3.9151 8.1438 121.4186 58.1654 41.9351 178.7400 125 R 3.8861 8.0423 118.5691 59.8762 30.0298 178.0917 126 D 4.3473 8.0842 118.3043 57.4289 40.7123 178.7368 127 E 3.9545 8.3294 119.2655 59.4174 29.3949 179.1713 128 E 4.1450 8.8474 119.2323 59.1371 29.4601 179.5688 129 G 3.7123 7.9926 105.8449 48.2731 0.0000 175.3744 130 H 4.4346 8.0805 118.9147 58.5449 28.6900 177.8087 131 I 3.8104 8.2762 121.9752 64.5522 37.0124 177.6693 132 D 4.3929 8.4641 118.9714 57.2499 41.0228 178.2310 133 W 4.1449 8.3853 128.4787 60.5083 30.8092 177.7333 134 L 3.7718 8.5475 119.1830 57.9105 41.1389 179.3981 135 E 3.9280 8.5051 118.6514 59.7173 29.3249 179.5550 136 T 3.7849 7.8613 115.5653 66.6663 68.5266 176.4118 137 E 3.7553 7.6671 120.2636 59.4513 29.1975 179.5459 138 L 3.7819 7.7085 118.7944 57.7585 41.5492 179.3840 139 D 4.2919 8.1474 118.9519 57.1313 40.6568 178.6247 140 L 3.9842 8.0793 119.8423 57.8752 41.7203 179.5255 141 I 3.4607 7.4799 119.5645 64.4758 36.7479 178.5588 142 Q 3.9410 7.4045 117.3775 58.8927 28.6330 178.6420 143 K 4.1397 8.1927 119.0672 58.9816 32.2977 178.5297 144 M 4.3554 8.4024 114.8925 54.0712 32.4314 177.2259 145 G 4.1158 7.5461 105.5155 45.9595 0.0000 174.3498 146 L 3.9577 8.4598 121.5739 58.0898 42.1458 179.3542 147 Q 4.0039 8.0808 117.3542 59.3472 28.8615 178.7049 148 N 4.3786 8.1470 116.7725 56.2632 38.3674 176.7147 149 Y 3.9790 7.9847 120.2430 60.5866 39.1572 177.8249 150 L 4.0708 8.3825 120.2259 58.0513 41.6931 179.1507 151 Q 3.9384 8.1253 119.0511 59.2939 28.6711 177.9898 152 A 4.1762 7.5555 118.9270 53.3566 18.7135 178.1974 153 Q 4.3256 7.8892 116.2497 55.3676 29.1814 177.5756 154 I 3.8843 7.2427 121.2283 63.4716 37.3683 176.6788 155 R 4.5902 7.5262 117.2406 54.1261 31.7890 176.0293 156 E 4.1447 8.3641 118.6686 55.9265 30.5456 175.8440 157 E 4.0830 8.5167 121.9677 55.3364 30.4387 176.5675 *158 G 3.7285 8.6053 114.1823 45.8872 0.0000 172.1558 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 4.21 0.00 1.45 1.77 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.50 4.03 0.00 1.71 1.71 0.00 1.77 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 1.39 1.47 7.81 3 G 8.70 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 4 D 8.48 4.55 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 8.91 3.86 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 8.18 3.86 0.00 1.72 1.91 0.00 1.41 0.00 0.00 0.93 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 1.05 7.81 7 V 8.56 3.90 2.36 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 0.95 0.00 0.00 1.19 0.00 0.00 8 I 7.73 3.75 2.05 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 0.92 0.00 0.00 9 N 8.24 4.25 0.00 2.59 2.67 0.00 0.00 7.07 7.08 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 10 Y 7.97 4.11 0.00 3.22 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 L 8.60 3.93 0.00 2.00 1.77 1.10 0.80 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 8.53 4.37 0.00 2.87 2.81 0.00 0.00 6.66 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 13 K 8.29 3.87 0.00 1.77 1.96 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.20 3.83 0.00 0.90 1.21 0.96 0.55 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 7.86 4.03 0.00 1.67 1.82 1.03 1.10 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 16 G 8.13 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 7.98 4.35 0.00 2.99 2.92 0.00 0.00 7.07 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 8.29 4.08 0.00 2.26 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 0.00 2.78 2.90 0.00 19 L 8.19 3.99 0.00 1.94 1.73 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.75 3.58 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 1.11 0.00 0.00 0.97 0.00 0.00 21 A 8.21 3.87 1.50 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 22 I 8.40 3.76 2.11 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 1.56 0.82 0.91 0.00 0.00 23 N 7.91 4.38 0.00 2.85 2.86 0.00 0.00 6.75 7.92 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 24 Q 8.30 3.84 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 25 Y 8.49 4.35 0.00 3.22 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 26 F 8.57 3.82 0.00 3.42 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 8.28 3.97 0.00 1.96 1.60 0.90 1.12 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 28 H 8.23 3.85 0.00 3.53 3.19 0.00 5.71 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 8.28 4.17 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 30 R 7.82 3.92 0.00 1.80 1.93 0.00 3.33 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.81 0.00 31 M 7.79 3.60 0.00 1.37 1.73 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 32 F 7.69 4.56 0.00 3.31 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 33 K 8.13 3.94 0.00 2.00 1.94 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 N 8.03 4.29 0.00 2.73 2.77 0.00 0.00 7.32 7.89 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 35 F 8.21 4.77 0.00 3.32 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 36 G 8.33 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 8.08 4.66 0.00 2.12 1.63 1.05 0.74 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 38 K 7.95 3.82 0.00 2.04 1.83 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.28 3.93 0.00 2.10 1.99 0.00 3.49 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.92 4.11 0.00 1.70 1.02 1.09 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.57 0.00 3.10 3.01 0.00 0.00 7.24 8.49 0.00 0.00 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 8.08 4.30 0.00 2.88 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 43 V 7.62 3.36 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 0.75 0.00 0.00 44 E 8.36 3.83 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 2.63 3.15 0.00 45 Y 8.18 3.82 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.32 4.20 0.00 3.23 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.50 3.76 0.00 1.52 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 1.85 0.00 48 S 7.83 4.08 0.00 3.90 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 49 I 7.33 3.56 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.68 0.84 0.00 0.00 50 D 7.49 4.20 0.00 2.87 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 51 E 8.12 4.08 0.00 2.25 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 2.68 2.82 0.00 52 M 7.98 4.06 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 53 K 8.05 3.89 0.00 1.90 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.02 4.11 0.00 3.55 3.34 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 8.36 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.42 4.31 0.00 2.88 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 57 R 7.88 3.88 0.00 1.82 1.78 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 1.76 0.00 58 Y 7.90 4.31 0.00 3.22 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 59 I 8.30 3.79 2.05 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 0.84 0.95 0.00 0.00 60 E 8.48 4.07 0.00 2.03 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 2.62 0.00 61 R 8.16 4.04 0.00 2.14 2.22 0.00 3.35 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 8.52 3.77 1.94 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 1.58 0.74 0.98 0.00 0.00 63 L 8.08 4.05 0.00 2.12 1.80 0.95 1.02 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 64 F 8.20 4.42 0.00 3.01 3.34 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 65 L 8.18 4.55 0.00 1.70 1.60 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.96 3.85 0.00 2.08 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 2.17 2.28 0.00 67 G 8.15 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.00 4.52 0.00 1.60 1.63 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 4.37 0.00 2.06 2.03 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 2.12 0.00 70 N 9.45 4.72 0.00 2.59 2.80 0.00 0.00 7.08 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 71 L 8.34 4.64 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.59 4.15 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.04 4.67 0.00 2.68 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 4.60 0.00 1.52 1.50 0.91 1.11 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 75 G 8.44 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.32 4.09 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.36 4.12 0.00 1.64 1.55 0.90 0.97 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 78 N 8.87 4.83 0.00 2.62 2.68 0.00 0.00 7.19 7.22 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 79 I 8.58 3.93 1.88 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 1.34 0.94 0.93 0.00 0.00 80 G 8.12 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 8.68 4.59 0.00 1.98 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 2.25 2.29 0.00 82 D 7.68 5.09 0.00 2.84 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 83 V 8.45 3.96 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 1.25 0.00 0.00 1.22 0.00 0.00 84 E 8.21 3.84 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 85 E 8.40 3.97 0.00 2.29 2.16 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 2.33 2.34 0.00 86 M 8.29 4.09 0.00 2.22 1.78 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.92 0.00 87 L 8.46 4.15 0.00 2.02 1.77 1.27 0.60 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 88 R 8.44 3.90 0.00 2.11 1.93 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.13 4.09 0.00 4.06 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 8.17 4.22 0.00 3.11 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 91 L 8.21 3.98 0.00 1.82 1.89 0.98 0.88 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 92 A 8.21 3.98 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 93 L 7.89 3.94 0.00 1.86 1.81 0.90 0.56 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 94 E 8.28 4.05 0.00 2.47 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 2.50 2.53 0.00 95 L 8.23 4.02 0.00 2.08 1.73 0.96 1.29 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 8.36 4.53 0.00 2.85 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 8.36 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 8.42 4.07 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 99 K 7.95 3.85 0.00 2.05 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.08 4.43 0.00 2.88 2.91 0.00 0.00 7.11 6.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.04 3.98 0.00 2.02 1.74 0.98 0.92 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 0.00 102 R 8.22 3.89 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.11 3.85 0.00 2.19 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 2.36 2.38 0.00 104 A 7.93 2.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.01 3.71 2.02 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 0.83 0.91 0.00 0.00 106 G 7.60 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.76 4.10 0.00 3.10 2.93 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 0.00 108 A 8.18 3.82 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 0.00 109 D 7.93 4.08 0.00 2.86 2.82 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 0.00 0.00 0.00 0.00 110 S 7.54 4.16 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 0.00 111 V 6.85 4.01 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 0.55 0.00 0.00 0.62 0.00 0.00 112 H 7.11 2.78 0.00 3.15 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.37 4.55 0.00 2.64 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 7.48 4.32 0.00 3.10 2.93 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 0.00 115 V 7.89 3.73 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 116 S 8.38 4.17 0.00 4.18 4.05 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 0.00 117 R 8.02 3.88 0.00 1.91 2.21 0.00 3.32 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 1.68 1.67 0.00 118 D 8.43 4.31 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.19 3.97 0.00 2.26 2.04 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 2.48 2.47 0.00 120 M 8.24 4.15 0.00 2.16 2.26 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 2.93 2.81 0.00 121 I 8.26 3.73 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 0.82 0.91 0.00 0.00 122 E 8.10 3.96 0.00 2.17 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 2.32 2.34 0.00 123 I 7.62 3.54 1.92 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.73 0.00 0.00 124 L 8.14 3.92 0.00 1.85 1.85 0.95 1.17 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 0.00 125 R 8.04 3.89 0.00 2.00 2.15 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 126 D 8.08 4.35 0.00 2.98 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 0.00 127 E 8.33 3.95 0.00 2.13 2.16 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 2.62 2.55 0.00 128 E 8.85 4.15 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 129 G 7.99 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 0.00 130 H 8.08 4.43 0.00 3.54 3.56 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 8.28 3.81 2.10 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 1.50 0.92 0.97 0.00 0.00 132 D 8.46 4.39 0.00 2.91 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 0.00 133 W 8.39 4.14 0.00 3.54 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.55 3.77 0.00 2.11 1.76 1.37 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.51 3.93 0.00 2.12 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 2.52 0.00 136 T 7.86 3.78 4.20 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 1.16 0.00 0.00 137 E 7.67 3.76 0.00 1.57 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.71 3.78 0.00 1.74 1.61 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.15 4.29 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 8.08 3.98 0.00 1.89 1.85 0.95 1.07 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 0.00 141 I 7.48 3.46 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.08 0.71 0.00 0.00 142 Q 7.40 3.94 0.00 2.07 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 2.49 2.49 0.00 143 K 8.19 4.14 0.00 1.68 1.86 0.00 1.68 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 1.61 7.81 144 M 8.40 4.36 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.16 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 7.55 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 0.00 0.00 0.00 146 L 8.46 3.96 0.00 1.75 1.68 0.95 0.72 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 0.00 147 Q 8.08 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 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.38 0.00 2.97 2.88 0.00 0.00 6.68 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 7.98 3.98 0.00 3.01 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 8.38 4.07 0.00 2.04 1.70 1.06 0.74 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 0.00 151 Q 8.13 3.94 0.00 2.11 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 2.38 0.00 152 A 7.56 4.18 1.23 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 0.00 0.00 153 Q 7.89 4.33 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.76 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 154 I 7.24 3.88 1.97 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 1.31 0.86 0.90 0.00 0.00 155 R 7.53 4.59 0.00 1.77 1.83 0.00 3.19 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 1.55 1.58 0.00 156 E 8.36 4.14 0.00 2.08 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 2.26 2.28 0.00 157 E 8.52 4.08 0.00 1.95 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 2.26 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.