NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2017 8.1633 120.2856 54.6879 33.1505 174.2009 2 K 4.0135 8.4990 126.3448 56.2032 32.4639 175.7578 3 G 3.9430 8.6936 113.7285 44.8434 0.0000 171.9549 4 D 4.5553 8.4814 119.6205 54.4250 41.9466 177.0194 5 T 3.8695 8.8997 122.9144 66.8867 68.5868 176.6475 6 K 3.8598 8.1782 120.8603 59.0888 32.2290 178.8958 7 V 3.9075 8.5541 118.9312 66.1566 31.4326 177.9041 8 I 3.7461 7.7186 119.2933 64.6443 36.9208 178.1059 9 N 4.2456 8.2337 117.0753 56.4258 38.3403 176.9932 10 Y 4.1006 7.9504 118.0094 61.2133 38.0354 178.7230 11 L 3.9338 8.5873 120.0742 57.9751 41.6266 179.4783 12 N 4.3701 8.4994 116.7532 55.9668 38.4332 177.4631 13 K 3.8683 8.3165 121.5691 59.3851 32.3201 178.9167 14 L 3.8206 8.2157 119.6231 57.6322 41.3873 179.0528 15 L 4.0256 7.8645 120.7487 58.1405 41.9583 179.2175 16 G 3.6251 8.1663 105.7330 47.9035 0.0000 175.2881 17 N 4.3462 7.9913 119.0047 56.1379 38.6155 177.3506 18 E 4.0759 8.2877 119.8253 59.3934 29.4402 179.2785 19 L 3.9917 8.2116 119.2488 57.8260 41.6297 179.7600 20 V 3.5898 7.7461 117.5373 66.0907 31.5116 177.8749 21 A 3.8686 8.2049 120.5219 55.0747 18.1619 179.4503 22 I 3.7566 8.3973 118.6199 64.8759 37.1968 178.4461 23 N 4.3859 7.9066 117.0638 56.4060 38.3944 177.4213 24 Q 3.8398 8.3075 121.1963 59.3316 29.0477 177.8985 25 Y 4.3528 8.4811 118.3152 60.9279 37.9007 178.0586 26 F 3.8230 8.5742 121.6979 61.0739 39.5076 176.7828 27 L 3.9653 8.2687 120.0799 58.6028 41.8336 178.4523 28 H 3.8334 8.2361 115.7864 58.8026 28.6323 177.2054 29 A 4.1679 8.2753 122.7297 55.7530 18.1159 179.9745 30 R 3.8840 7.8175 115.5559 58.7569 30.1297 179.3136 31 M 3.5936 7.8176 119.2527 58.2085 31.8694 178.3644 32 F 4.5753 7.6771 118.2562 60.7121 39.1425 177.6954 33 K 3.9374 8.1645 119.0290 59.5279 31.7866 178.2484 34 N 4.2901 8.0573 116.2479 56.8461 38.9941 176.6312 35 F 4.7588 8.2328 117.9341 59.0685 38.9665 176.4782 36 G 3.9889 8.1134 106.2718 45.8235 0.0000 175.2238 37 L 4.4830 8.0740 122.2455 52.6003 38.2527 176.8763 38 K 3.8212 7.9462 122.9785 59.9132 32.5801 177.5346 39 R 3.9337 8.2899 118.9362 59.2600 29.9562 178.4574 40 L 4.1135 7.8935 118.8215 57.3275 41.4474 178.8567 41 N 4.5687 8.1804 116.8071 56.7755 38.9952 176.5043 42 D 4.3043 8.0570 120.2295 57.3707 41.0819 178.9633 43 V 3.3581 7.6214 118.4622 66.0803 31.4144 177.9671 44 E 3.8295 8.3668 118.4205 59.2401 29.2869 178.5844 45 Y 3.8131 8.1822 119.8338 61.1434 38.6553 178.0535 46 H 4.2022 8.3276 116.0194 57.8807 28.7022 177.1882 47 E 3.7517 7.5285 120.3824 58.1452 29.5096 178.3537 48 S 4.0815 7.8254 113.6089 61.5612 62.4515 176.2465 49 I 3.5587 7.3145 122.2858 64.3513 36.8270 177.8131 50 D 4.2064 7.4911 118.4716 57.5382 40.9822 178.3302 51 E 4.0833 8.1363 118.8279 59.2868 29.3108 179.2643 52 M 4.0539 7.9890 119.1010 58.3492 32.0347 178.6923 53 K 3.8855 8.0483 118.5495 59.8024 32.1785 179.1218 54 H 4.0975 8.0131 115.9451 58.7499 28.6114 177.4549 55 A 4.2301 8.3148 122.8766 55.4728 18.1740 178.9800 56 D 4.3125 8.3789 116.5822 57.7899 41.2444 178.8448 57 R 3.8796 7.8650 118.3368 59.3863 29.9772 178.6797 58 Y 4.3182 7.9250 116.5111 61.2431 37.9101 178.6704 59 I 3.7832 8.2770 121.0860 64.5800 37.1595 178.4338 60 E 4.0716 8.4732 119.5098 59.1749 29.2042 179.4353 61 R 4.0325 8.1659 118.8890 59.5195 30.1915 178.5005 62 I 3.7702 8.5239 119.9781 64.5635 37.1514 178.4070 63 L 4.0457 8.0778 119.6881 57.7117 41.2107 179.3761 64 F 4.4091 8.2087 119.7577 61.2823 39.7213 176.4982 65 L 4.5482 8.1873 117.7884 53.9357 41.1586 177.2222 66 E 3.8467 7.9796 117.5891 57.3727 27.0647 174.5956 67 G 3.9196 8.1991 108.8831 44.1661 0.0000 173.8265 68 L 4.5193 8.0010 119.1643 51.9941 41.8579 175.0481 69 P 4.3756 0.0000 0.0000 62.5645 31.7627 176.0472 70 N 4.7235 9.4631 122.1841 52.4076 38.7918 173.8570 71 L 4.6337 8.3389 124.1684 54.5588 42.4566 177.4467 72 Q 4.1485 8.5786 122.1484 58.0824 29.4034 175.9397 73 D 4.6707 8.0381 116.8844 52.9454 41.9184 175.2674 74 L 4.5934 8.2864 125.2738 52.8126 44.1603 176.5873 75 G 3.8171 8.4350 115.3729 44.5770 0.0000 171.8975 76 K 4.0816 8.3217 120.7786 55.8398 32.3899 176.6644 77 L 4.1138 8.3680 126.8442 54.3781 42.3101 176.0034 78 N 4.8343 8.8444 121.2384 52.1145 40.2829 174.0220 79 I 3.9359 8.5834 126.6451 63.7193 37.9210 177.9304 80 G 4.1765 8.1189 102.6929 45.8198 0.0000 172.5152 81 E 4.5867 8.6756 117.3026 56.2659 31.9153 176.7798 82 D 5.0957 7.6752 117.1302 50.8747 43.4110 176.7762 83 V 3.9632 8.4489 119.2634 66.6687 31.3000 177.5421 84 E 3.8418 8.2066 117.9049 59.4992 29.5167 178.2173 85 E 3.9778 8.4015 119.3045 59.5413 29.6429 178.7085 86 M 4.0907 8.2600 117.0916 58.2230 31.3652 178.6030 87 L 4.1541 8.4528 120.5344 57.6483 41.7501 179.4728 88 R 3.8917 8.4607 119.1199 59.3483 30.0938 178.5625 89 S 4.0971 8.1329 113.1850 61.3240 62.3851 175.8296 90 D 4.2189 8.1541 121.6505 57.1174 40.4963 178.4323 91 L 3.9722 8.2377 120.6857 58.3041 42.1740 178.8242 92 A 3.9842 8.2189 120.7733 55.2169 18.2574 179.4010 93 L 3.9395 7.8770 118.5075 58.1297 42.0531 178.8379 94 E 4.0557 8.2560 119.4722 59.1283 29.7470 178.6833 95 L 4.0227 8.2342 119.3104 58.0391 41.8307 179.3091 96 D 4.5287 8.3739 118.9474 57.1703 40.7209 179.1097 97 G 3.6327 8.3545 106.2830 47.6483 0.0000 175.6934 98 A 4.0756 8.4168 123.5349 54.6115 18.4406 179.5822 99 K 3.8552 7.9614 117.7460 59.9633 32.2577 178.8398 100 N 4.4279 8.0770 116.2199 56.1541 38.3150 177.4438 101 L 3.9772 8.0530 120.4311 57.9046 41.6521 179.6743 102 R 3.8914 8.2126 118.1690 59.2324 29.9517 178.7926 103 E 3.8521 8.1045 118.5135 59.2415 29.6090 178.7082 104 A 2.8328 7.9101 120.9733 54.7841 18.3871 179.6434 105 I 3.7060 7.9998 118.7183 64.4681 36.9467 178.9106 106 G 3.5918 7.5993 105.3034 47.8396 0.0000 174.9179 107 Y 4.1045 7.7685 121.3193 60.3330 38.9081 177.3551 108 A 3.8132 8.1587 122.0048 55.2928 18.3849 179.0176 109 D 4.0648 7.8995 116.4327 57.4640 41.1017 178.5734 110 S 4.1533 7.5241 112.9798 60.1948 63.2660 175.6997 111 V 3.9927 6.8555 113.7281 60.7483 31.6077 175.6861 112 H 2.7956 7.1116 114.3144 56.5940 27.0515 176.4605 113 D 4.5548 7.3923 121.1223 53.5722 37.5237 176.2643 114 Y 4.3155 7.4675 121.4440 60.6688 38.4648 178.2430 115 V 3.7376 7.8965 119.9442 64.7133 31.7450 178.3615 116 S 4.1714 8.3877 115.8710 61.4321 62.6453 176.6657 117 R 3.8786 8.0179 121.2266 59.4016 29.9784 177.9646 118 D 4.3047 8.4344 118.1111 57.6120 41.2679 177.6886 119 M 3.9652 8.1575 118.6355 59.2406 32.1180 178.1697 120 M 4.1520 8.2272 118.6421 58.3910 32.0698 178.8620 121 I 3.7246 8.2834 120.5758 64.2504 37.2467 178.2825 122 E 3.9581 8.1020 119.2170 59.4947 29.2221 179.4747 123 I 3.5465 7.6348 119.7580 64.1001 37.1330 178.1855 124 L 3.9190 8.1312 121.3824 58.1503 41.9262 178.7635 125 R 3.8903 8.0654 118.5955 59.8449 30.0391 178.1234 126 D 4.3444 8.0804 118.3519 57.4074 40.7273 178.7155 127 E 3.9502 8.3763 119.3724 59.4284 29.3945 179.1580 128 E 4.1560 8.8617 119.1974 59.1753 29.4656 179.5591 129 G 3.7249 8.0811 105.8283 48.2796 0.0000 175.3725 130 H 4.4305 8.0855 118.8453 58.5513 28.6999 177.7906 131 I 3.8081 8.2863 122.0006 64.5676 37.0174 177.6705 132 D 4.3916 8.4591 118.9333 57.2509 41.0216 178.2265 133 W 4.1508 8.3840 128.4952 60.4970 30.7984 177.7527 134 L 3.7673 8.5120 119.1128 57.8969 41.1383 179.3632 135 E 3.9270 8.5120 118.6827 59.7309 29.3271 179.5699 136 T 3.7829 7.8566 115.5308 66.6687 68.5364 176.3943 137 E 3.7600 7.6657 120.2710 59.4611 29.2307 179.5428 138 L 3.7825 7.7273 118.7769 57.7832 41.5533 179.3936 139 D 4.2902 8.1505 118.9268 57.1315 40.6660 178.6291 140 L 3.9821 8.1045 119.8922 57.8793 41.6864 179.5194 141 I 3.4598 7.4658 119.5534 64.4832 36.7471 178.5529 142 Q 3.9360 7.4102 117.4512 58.8994 28.6297 178.6424 143 K 4.1426 8.2030 119.0900 58.9081 32.2943 178.4896 144 M 4.3718 8.4358 114.8976 54.0203 32.4726 177.2018 145 G 4.1092 7.5669 105.7206 45.9720 0.0000 174.3432 146 L 3.9574 8.4633 121.6874 58.0802 42.1431 179.3949 147 Q 4.0062 8.0695 117.3536 59.3253 28.8550 178.6586 148 N 4.3771 8.1469 116.8040 56.2698 38.3672 176.7134 149 Y 3.9788 7.9964 120.2450 60.5862 39.1569 177.8226 150 L 4.0685 8.3510 120.2030 58.0442 41.6861 179.1604 151 Q 3.9333 8.1290 119.0573 59.2797 28.6753 177.9876 152 A 4.1645 7.5677 119.0518 53.3993 18.7027 178.2112 153 Q 4.3149 7.8827 116.2317 55.3877 29.1570 177.5818 154 I 3.8365 7.3356 121.8575 63.9797 37.3692 176.6674 155 R 4.5942 7.5242 117.2598 54.0989 31.7955 176.0383 156 E 4.1374 8.3690 118.7494 55.9421 30.5258 175.8596 157 E 4.0765 8.5181 121.9920 55.3605 30.4317 176.5812 *158 G 3.7286 8.6057 114.1818 45.8873 0.0000 172.1567 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 4.20 0.00 1.46 1.77 0.00 0.00 0.00 0.00 0.00 -0.05 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 4.01 0.00 1.71 1.72 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 1.40 1.47 7.81 3 G 8.69 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 4.56 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 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.92 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 1.06 7.81 7 V 8.55 3.91 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 0.96 0.00 0.00 1.22 0.00 0.00 8 I 7.72 3.75 2.04 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 0.69 0.92 0.00 0.00 9 N 8.23 4.25 0.00 2.59 2.67 0.00 0.00 7.07 7.00 0.00 0.00 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 7.95 4.10 0.00 3.22 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 11 L 8.59 3.93 0.00 2.00 1.77 1.09 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 8.50 4.37 0.00 2.88 2.81 0.00 0.00 6.65 8.20 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 13 K 8.32 3.87 0.00 1.76 1.96 0.00 1.58 0.00 0.00 1.61 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 8.22 3.82 0.00 0.89 1.19 0.94 0.51 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 1.68 1.83 1.03 1.16 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 8.17 3.63 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 0.00 0.00 0.00 17 N 7.99 4.35 0.00 2.99 2.92 0.00 0.00 7.07 7.74 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 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 8.21 3.99 0.00 1.93 1.73 0.95 1.18 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 3.59 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 1.06 0.00 0.00 1.01 0.00 0.00 21 A 8.20 3.87 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 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 1.71 0.80 0.91 0.00 0.00 23 N 7.91 4.39 0.00 2.86 2.86 0.00 0.00 6.75 7.94 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 24 Q 8.31 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 8.48 4.35 0.00 3.22 2.85 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 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 8.27 3.97 0.00 1.97 1.60 0.90 1.10 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 8.24 3.83 0.00 3.53 3.18 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 8.28 4.17 1.28 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 0.00 0.00 30 R 7.82 3.88 0.00 1.80 1.93 0.00 3.32 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 7.82 3.59 0.00 1.36 1.73 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 32 F 7.68 4.58 0.00 3.32 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.16 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 8.06 4.29 0.00 2.73 2.77 0.00 0.00 7.32 7.69 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 35 F 8.23 4.76 0.00 3.32 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.11 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 8.07 4.48 0.00 2.12 1.63 1.04 0.73 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 3.05 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.29 3.93 0.00 2.10 1.98 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 7.89 4.11 0.00 1.70 1.02 1.08 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 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 8.06 4.30 0.00 2.89 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 7.62 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 -0.57 0.00 0.00 0.78 0.00 0.00 44 E 8.37 3.83 0.00 2.31 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 2.61 3.15 0.00 45 Y 8.18 3.81 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 8.33 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 7.53 3.75 0.00 1.53 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 3.86 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 49 I 7.31 3.56 1.68 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.73 0.84 0.00 0.00 50 D 7.49 4.21 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 8.14 4.08 0.00 2.24 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 7.99 4.05 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 53 K 8.05 3.89 0.00 1.90 1.82 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 1.63 7.81 54 H 8.01 4.10 0.00 3.55 3.33 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 8.31 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 8.38 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 7.87 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 1.75 0.00 58 Y 7.92 4.32 0.00 3.22 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 8.28 3.78 2.05 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 0.93 0.95 0.00 0.00 60 E 8.47 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 8.17 4.03 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 1.87 0.00 62 I 8.52 3.77 1.94 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 1.00 0.00 0.00 63 L 8.08 4.05 0.00 2.11 1.80 0.95 1.00 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 64 F 8.21 4.41 0.00 3.00 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 8.19 4.55 0.00 1.69 1.60 0.99 0.50 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 7.98 3.85 0.00 2.08 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 2.17 2.27 0.00 67 G 8.20 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 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 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 9.46 4.72 0.00 2.59 2.80 0.00 0.00 7.08 7.65 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 71 L 8.34 4.63 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 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.58 4.15 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 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 8.29 4.59 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 1.45 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 4.08 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 8.37 4.11 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 8.84 4.83 0.00 2.62 2.69 0.00 0.00 7.18 7.36 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 79 I 8.58 3.94 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 4.18 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 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 5.10 0.00 2.84 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 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 1.20 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 3.98 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 8.26 4.09 0.00 2.23 1.77 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.91 0.00 87 L 8.45 4.15 0.00 2.02 1.77 1.28 0.62 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 88 R 8.46 3.89 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 4.10 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 8.15 4.22 0.00 3.12 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 8.24 3.97 0.00 1.81 1.89 0.98 0.99 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 92 A 8.22 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 7.88 3.94 0.00 1.87 1.82 0.90 0.51 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 8.26 4.06 0.00 2.47 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 2.50 2.53 0.00 95 L 8.23 4.02 0.00 2.09 1.73 0.96 1.25 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 8.37 4.53 0.00 2.84 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 8.35 3.63 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 0.00 0.00 0.00 98 A 8.42 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.96 3.86 0.00 2.05 2.01 0.00 1.66 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 4.43 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 8.05 3.98 0.00 2.01 1.74 0.98 0.79 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 8.21 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 1.97 0.00 103 E 8.10 3.85 0.00 2.18 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 2.35 2.37 0.00 104 A 7.91 2.83 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 8.00 3.71 1.85 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 0.99 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 7.77 4.10 0.00 3.11 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 8.16 3.81 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 7.90 4.06 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.52 4.15 0.00 3.97 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 6.86 3.99 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 0.50 0.00 0.00 0.67 0.00 0.00 112 H 7.11 2.80 0.00 3.15 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.39 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 7.47 4.32 0.00 3.10 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 0.00 115 V 7.90 3.74 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 0.94 0.00 0.00 0.98 0.00 0.00 116 S 8.39 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 3.23 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 4.30 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 8.16 3.97 0.00 2.27 2.04 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 2.48 2.47 0.00 120 M 8.23 4.15 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.20 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 8.28 3.72 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 0.78 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 7.63 3.55 1.92 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.59 0.74 0.00 0.00 124 L 8.13 3.92 0.00 1.85 1.85 0.95 1.09 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 8.07 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 1.69 0.00 126 D 8.08 4.34 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 8.38 3.95 0.00 2.12 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 0.00 2.62 2.55 0.00 128 E 8.86 4.16 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 8.08 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.09 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 8.29 3.81 2.11 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 0.91 0.97 0.00 0.00 132 D 8.46 4.39 0.00 2.90 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 8.38 4.15 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 8.51 3.77 0.00 2.12 1.76 1.36 1.56 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 0.00 135 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 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 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 7.73 3.78 0.00 1.73 1.61 0.88 0.80 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 8.10 3.98 0.00 1.88 1.85 0.94 0.95 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 7.47 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 -0.07 -0.03 0.71 0.00 0.00 142 Q 7.41 3.94 0.00 2.06 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 8.20 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 8.44 4.37 0.00 2.16 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 7.57 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.01 0.00 2.14 2.14 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 8.00 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 8.35 4.07 0.00 2.05 1.70 1.06 0.73 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 0.00 151 Q 8.13 3.93 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 A 7.57 4.16 1.20 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 0.00 0.00 153 Q 7.88 4.31 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 154 I 7.34 3.84 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 1.30 0.44 0.90 0.00 0.00 155 R 7.52 4.59 0.00 1.77 1.82 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 1.54 1.58 0.00 156 E 8.37 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.