NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1840 8.1627 120.2781 54.6969 33.2544 173.9931 2 K 3.9616 8.5293 128.2358 56.2923 32.7140 175.0676 3 G 4.0123 8.6091 116.2086 44.8971 0.0000 171.3328 4 D 4.6836 8.4360 119.2174 54.0102 42.0777 177.2633 5 T 3.8618 8.9174 123.0487 66.9676 68.5676 176.5575 6 K 3.8045 8.1400 120.7140 59.0473 32.1922 178.8691 7 V 3.8643 8.5155 118.9111 66.2465 31.4635 177.9128 8 I 3.7763 7.7177 119.2748 64.5579 36.9326 178.0940 9 N 4.2393 8.2970 117.1698 56.4724 38.3758 177.0059 10 Y 4.1066 7.9739 117.9290 61.1339 38.0465 178.4593 11 L 3.8470 8.5661 120.1286 58.1685 41.6992 179.5608 12 N 4.3438 8.4912 116.5004 56.0120 38.4354 177.4719 13 K 3.8654 8.0021 121.0593 59.3845 32.3201 178.8555 14 L 3.8126 8.2568 119.5660 57.6744 41.4789 179.0270 15 L 4.0188 7.8435 120.6648 58.2653 41.8731 179.3128 16 G 3.6061 8.1554 105.5999 47.8812 0.0000 175.3938 17 N 4.3800 8.0282 118.9589 56.0756 38.5072 177.2880 18 E 4.1100 8.3193 120.2182 59.2676 29.1463 178.9917 19 L 4.3149 8.0434 118.7013 57.1905 40.8192 179.4091 20 V 3.6098 7.6964 120.5261 64.8110 31.4648 177.9784 21 A 3.9071 8.0508 121.7463 54.8971 18.2164 179.4050 22 I 3.7589 8.1963 118.5750 64.9562 37.1847 178.4551 23 N 4.4242 7.8940 116.0287 56.2609 38.3209 177.4521 24 Q 3.8383 8.3570 121.2505 59.3728 29.0837 177.8041 25 Y 4.2881 8.5543 118.2268 60.9498 37.9919 178.3163 26 F 3.9033 8.4720 121.7469 61.0208 39.6139 176.9291 27 L 3.9417 8.2540 120.0550 58.5680 41.8846 178.3141 28 H 3.7754 8.2710 116.1173 58.9436 28.6809 177.2587 29 A 4.1617 8.1159 122.2520 55.5083 18.2555 179.6571 30 R 3.9436 7.5944 114.7995 58.1504 30.2613 179.1725 31 M 3.4378 7.5064 119.2821 58.1106 31.9099 178.3699 32 F 4.6057 7.4174 117.9327 60.6710 39.1435 177.6832 33 K 3.9451 8.1802 119.0850 59.4596 31.7724 178.2355 34 N 4.2811 7.7408 116.1066 56.5661 39.0100 176.3913 35 W 4.7557 7.8420 117.2170 57.4419 29.1979 177.2255 36 G 3.9853 8.3254 108.1969 46.1694 0.0000 174.2786 37 L 4.6693 7.8980 121.8609 52.7312 38.1716 177.0661 38 K 3.8138 7.9720 122.7960 60.0057 32.5981 177.3703 39 R 3.9872 8.3604 118.8882 59.0436 29.9883 178.3742 40 L 4.1329 7.8666 118.8159 57.2348 41.5233 178.8198 41 N 4.5549 8.1626 116.7189 56.8477 39.0380 176.3012 42 D 4.3728 8.0285 120.2792 57.5757 40.9452 179.2516 43 V 3.3493 7.6431 118.2763 65.8678 31.5072 177.7489 44 E 3.8520 8.3715 119.1965 59.1253 29.5336 177.9731 45 Y 3.9727 8.4502 120.2052 61.0662 38.9002 177.7227 46 H 3.9743 8.2589 118.9816 59.2098 29.8628 177.0559 47 E 3.5467 7.7209 120.4862 58.6522 29.1293 178.9037 48 S 4.0472 7.6173 113.4049 61.5291 62.4120 176.3631 49 I 3.5176 7.1630 122.1107 64.2950 36.7911 177.9691 50 D 4.1764 7.6981 119.5827 57.5957 40.6229 178.8624 51 E 4.0077 8.0866 118.7396 59.6698 29.3923 179.4477 52 M 4.0431 7.9559 118.7104 58.3260 32.0297 178.8684 53 K 3.9609 7.9786 118.5991 59.6461 32.1699 179.0436 54 H 4.0800 8.2285 116.1678 58.8098 28.6131 177.5049 55 A 4.2148 8.2348 122.5836 55.4009 18.2460 178.9150 56 D 4.2983 8.5040 116.8061 57.7095 41.2170 178.8222 57 R 3.8576 7.9141 118.1963 59.4744 30.0742 178.5267 58 Y 4.3387 7.7018 116.3292 61.3112 37.8914 178.8629 59 I 3.7699 8.1233 120.7012 64.7035 37.2587 178.4664 60 E 4.0472 8.3910 119.2605 59.0813 29.1611 179.5311 61 R 4.0373 8.0919 118.9399 59.5063 30.1912 178.3642 62 I 3.7676 8.4314 119.9533 64.6284 37.1331 178.4148 63 L 4.0182 8.1961 119.6601 57.7790 41.2234 179.3854 64 F 4.3511 8.1612 119.6982 61.1313 39.6825 176.4220 65 L 4.3463 8.1616 117.9886 53.8605 41.2294 177.1131 66 E 3.8830 8.0302 117.6628 57.4322 27.0229 174.4925 67 G 3.9481 8.1344 108.2486 44.0326 0.0000 173.6577 68 L 4.5306 8.0151 119.0026 52.0182 42.1421 175.2233 69 P 4.4167 0.0000 0.0000 62.4893 31.7723 175.7993 70 N 4.7450 9.6979 122.4923 52.3490 39.0535 173.8814 71 L 4.6539 8.2808 124.2882 54.6569 42.5587 177.9732 72 Q 4.0883 8.5675 119.8854 58.7516 28.8285 176.4570 73 D 4.6592 8.0470 116.5519 53.0197 41.8811 175.4214 74 L 4.6112 8.2605 125.2760 52.6919 44.2531 176.3273 75 G 3.7940 8.4937 114.9441 44.6722 0.0000 172.3229 76 K 4.0172 8.3114 120.6474 56.0045 32.2776 176.2579 77 L 4.0724 8.4179 127.0860 54.3870 42.2178 176.0519 78 N 4.7791 8.7751 122.2528 51.9134 39.5204 173.2314 79 I 4.3502 8.1605 126.5617 59.5990 38.7337 176.6185 80 G 4.0375 8.6176 114.0625 44.9961 0.0000 172.7834 81 E 4.6581 8.7910 116.9577 56.5041 30.9972 176.5142 82 D 4.9722 7.6635 117.5979 50.2640 44.0292 176.0314 83 V 4.0429 8.5574 119.6308 66.7273 31.3793 177.6338 84 E 3.8158 8.2016 117.9080 59.4454 29.5859 177.9733 85 E 3.9749 8.5387 119.4201 59.6571 29.5845 178.9035 86 M 4.0766 8.5312 117.2113 58.3377 31.3861 178.5186 87 L 4.1214 8.5620 120.6792 57.6013 41.8561 179.5337 88 R 3.8936 8.6704 118.8898 59.3336 30.0742 178.5732 89 S 4.1067 8.2054 113.1669 61.3677 62.3235 175.8131 90 D 4.2210 8.1655 121.6961 57.1138 40.4604 178.4370 91 L 3.9848 8.1976 120.6459 58.3388 42.1595 178.9770 92 A 3.9851 7.9689 120.4841 54.9898 18.2218 179.4224 93 L 3.9381 7.8768 118.6583 58.1693 42.0877 178.9425 94 E 4.0616 8.5209 118.8830 59.4856 29.4733 179.2716 95 L 4.0253 8.2253 119.1611 58.0206 41.7655 179.4020 96 D 4.4873 8.3652 118.8780 57.3443 40.7816 179.0492 97 G 3.6843 8.3554 106.0464 47.7495 0.0000 175.6061 98 A 4.0512 8.3443 123.4286 54.6540 18.3372 179.4572 99 K 3.8233 8.0951 118.1907 59.9907 32.2758 178.7011 100 N 4.4054 8.1133 116.3851 56.2536 38.3541 177.4545 101 L 3.9791 8.0915 120.3550 57.8927 41.7891 179.5596 102 R 3.8922 8.1531 118.1198 59.3683 30.0658 178.7977 103 E 3.8894 7.9426 118.3372 59.1822 29.6942 178.6786 104 A 2.8042 7.7886 120.8217 54.7174 18.3313 179.7241 105 I 3.7404 7.9195 118.6570 64.4657 36.9636 178.9258 106 G 3.5919 7.6459 105.0364 47.7820 0.0000 174.9303 107 Y 4.0580 7.8294 121.4669 60.3593 38.8450 177.4297 108 A 3.8179 8.3373 122.2042 55.4917 18.5201 179.1152 109 D 4.0359 7.9244 116.3708 57.2300 41.0781 178.3001 110 S 4.1031 7.4693 112.5425 59.8994 63.5467 175.0772 111 V 3.8447 7.0229 112.8525 61.0564 31.2827 175.6169 112 H 2.9367 7.1233 114.5392 56.8274 26.8796 176.4389 113 D 4.5262 7.3723 121.3865 53.3466 37.8139 176.1463 114 Y 4.3014 7.4174 121.5450 60.5163 38.3697 178.1519 115 V 3.7309 7.8679 119.9373 64.6675 31.7651 178.3532 116 S 4.1599 8.2658 115.5851 61.5014 62.6465 176.6193 117 R 3.8831 8.1032 121.1632 59.4875 29.8941 178.0674 118 D 4.2903 8.3936 118.0479 57.4980 41.2714 177.6418 119 M 3.9733 8.3371 119.0865 59.2325 32.1110 178.2019 120 M 4.1529 8.3246 118.8425 58.3483 32.1071 178.8448 121 I 3.7371 8.1231 120.4157 64.2374 37.3489 178.2930 122 E 3.9615 8.0982 119.1783 59.4930 29.3404 179.4362 123 I 3.5752 7.6442 119.7912 64.2718 37.0478 178.2445 124 L 3.9799 8.1852 121.5378 58.0955 42.0069 178.9623 125 R 3.8861 8.0860 118.7189 59.5261 30.0005 178.2561 126 D 4.3475 7.9398 118.3505 57.2851 40.7987 178.6834 127 E 3.9226 8.1627 119.0734 59.4084 29.4586 178.6804 128 E 4.1038 8.5663 119.8692 59.4315 29.5164 179.2218 129 G 3.6442 7.9281 105.0297 48.2244 0.0000 175.2923 130 H 4.4275 8.1292 119.1224 58.6128 28.6635 177.8715 131 I 3.8140 8.4195 121.8882 64.5623 37.0213 177.7509 132 D 4.3784 8.4102 118.9324 57.1932 40.9265 178.1232 133 W 4.1561 8.5347 128.6062 60.5323 30.7227 177.5250 134 L 3.6837 8.2592 118.8201 58.0799 41.1839 179.4132 135 E 3.9027 8.3727 118.2128 59.8562 29.3309 179.7760 136 T 3.8034 7.8195 115.4547 66.5429 68.4966 176.5700 137 E 3.7754 7.7445 120.5003 59.4088 28.9762 179.4288 138 L 3.7557 7.8159 118.9965 57.9499 41.5814 179.4472 139 D 4.3182 8.1298 118.7301 57.2209 40.6109 178.8269 140 L 3.9751 8.0392 119.8889 57.6989 41.6509 179.4668 141 I 3.3722 7.5167 119.8812 64.3566 36.7227 178.2813 142 Q 3.9236 7.4036 118.6540 58.9111 28.9486 178.0163 143 K 4.1268 8.0558 119.1901 59.1182 32.3129 178.4683 144 M 4.3830 8.3155 114.5019 54.1566 32.3807 177.3408 145 G 4.0740 7.5442 104.9639 45.8066 0.0000 174.4326 146 L 3.9872 8.3422 120.5484 57.9668 42.1218 179.1873 147 Q 3.9964 8.0282 117.5119 59.2504 28.7905 178.5333 148 N 4.3444 8.1383 116.8809 56.2872 38.3867 176.5910 149 Y 3.9931 7.8558 120.1198 60.6934 39.0951 178.0472 150 L 4.0718 8.3133 120.0365 57.9638 41.6687 179.1923 151 Q 3.9046 8.2234 119.2194 59.1626 28.7015 177.9072 152 A 4.1346 7.7298 119.6034 53.5244 18.6362 178.2224 153 Q 4.3310 7.8635 116.1012 55.6102 29.2077 177.5188 154 I 3.9475 7.4246 121.2576 62.5973 37.4395 176.3357 155 R 4.5948 7.5422 119.6907 53.6613 32.2278 174.7619 156 E 4.0604 8.6284 123.4241 56.0152 30.3301 175.9702 157 E 3.9604 8.5893 123.4331 55.7336 30.4053 176.5967 *158 G 3.7296 8.6077 114.0937 45.8921 0.0000 172.2182 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 4.18 0.00 1.45 1.85 0.00 0.00 0.00 0.00 0.00 -0.01 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 8.53 3.96 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.61 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 4 D 8.44 4.68 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 3.86 4.23 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 1.18 0.00 0.00 6 K 8.14 3.80 0.00 1.67 1.72 0.00 1.41 0.00 0.00 1.06 0.00 0.00 2.29 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.84 1.03 7.81 7 V 8.52 3.86 2.34 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 1.16 0.00 0.00 1.18 0.00 0.00 8 I 7.72 3.78 2.04 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 1.55 0.68 0.91 0.00 0.00 9 N 8.30 4.24 0.00 2.72 2.58 0.00 0.00 7.03 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 7.97 4.11 0.00 3.30 2.91 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 0.00 0.00 0.00 11 L 8.57 3.85 0.00 2.00 1.78 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.49 4.34 0.00 2.77 2.81 0.00 0.00 6.70 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 13 K 8.00 3.87 0.00 1.77 1.95 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.26 3.81 0.00 1.07 1.17 0.91 0.47 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 15 L 7.84 4.02 0.00 1.67 1.84 1.07 1.11 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 8.16 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 8.03 4.38 0.00 2.98 2.92 0.00 0.00 7.05 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 18 E 8.32 4.11 0.00 2.31 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 0.00 2.80 2.86 0.00 19 L 8.04 4.31 0.00 1.90 1.94 0.94 0.99 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 20 V 7.70 3.61 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 0.88 0.00 0.00 0.91 0.00 0.00 21 A 8.05 3.91 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.20 3.76 2.05 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 1.55 0.86 0.90 0.00 0.00 23 N 7.89 4.42 0.00 2.92 2.87 0.00 0.00 6.72 7.85 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 24 Q 8.36 3.84 0.00 2.00 2.00 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 2.21 2.05 0.00 25 Y 8.55 4.29 0.00 3.24 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 26 F 8.47 3.90 0.00 3.46 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 L 8.25 3.94 0.00 1.95 1.58 0.88 0.87 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 28 H 8.27 3.78 0.00 3.44 3.23 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 8.12 4.16 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 30 R 7.59 3.94 0.00 1.73 1.85 0.00 3.20 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.57 0.00 31 M 7.51 3.44 0.00 0.94 1.56 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.42 4.61 0.00 3.34 3.08 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 33 K 8.18 3.95 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.74 4.28 0.00 2.72 2.68 0.00 0.00 7.32 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 35 W 7.84 4.76 0.00 3.73 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.67 0.00 2.15 1.65 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.81 0.00 2.02 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.36 3.99 0.00 2.08 1.98 0.00 3.49 0.00 0.00 3.23 7.59 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 7.87 4.13 0.00 1.72 1.07 1.09 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 4.55 0.00 3.15 3.01 0.00 0.00 7.22 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 8.03 4.37 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.64 3.35 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 -0.61 0.00 0.00 0.66 0.00 0.00 44 E 8.37 3.85 0.00 2.56 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 2.81 2.77 0.00 45 Y 8.45 3.97 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.26 3.97 0.00 3.26 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.72 3.55 0.00 1.16 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 1.95 2.09 0.00 48 S 7.62 4.05 0.00 3.92 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 7.16 3.52 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.62 0.78 0.00 0.00 50 D 7.70 4.18 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.09 4.01 0.00 2.28 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 2.54 2.60 0.00 52 M 7.96 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 53 K 7.98 3.96 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.23 4.08 0.00 3.52 3.43 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 8.23 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 8.50 4.30 0.00 2.85 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 57 R 7.91 3.86 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 58 Y 7.70 4.34 0.00 3.22 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.12 3.77 2.04 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 0.78 0.95 0.00 0.00 60 E 8.39 4.05 0.00 2.04 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 2.64 0.00 61 R 8.09 4.04 0.00 2.12 2.24 0.00 3.37 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 1.75 1.86 0.00 62 I 8.43 3.77 2.07 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 1.59 0.87 0.97 0.00 0.00 63 L 8.20 4.02 0.00 2.10 1.79 0.95 0.89 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 8.16 4.35 0.00 3.01 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 65 L 8.16 4.35 0.00 1.81 1.62 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.03 3.88 0.00 2.06 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 2.15 2.25 0.00 67 G 8.13 3.95 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 0.00 0.00 0.00 68 L 8.02 4.53 0.00 1.62 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 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 3.65 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 9.70 4.75 0.00 2.60 2.82 0.00 0.00 7.10 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 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 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 8.57 4.09 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.05 4.66 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.26 4.61 0.00 1.52 1.50 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.49 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.42 4.07 0.00 1.64 1.56 0.95 0.98 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 8.78 4.78 0.00 2.64 2.71 0.00 0.00 7.17 8.05 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 79 I 8.16 4.35 1.87 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 1.32 0.53 0.93 0.00 0.00 80 G 8.62 4.04 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 0.00 0.00 0.00 81 E 8.79 4.66 0.00 2.01 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 0.00 2.30 2.33 0.00 82 D 7.66 4.97 0.00 2.77 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 83 V 8.56 4.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.24 0.00 0.00 84 E 8.20 3.82 0.00 2.02 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 2.33 2.27 0.00 85 E 8.54 3.97 0.00 2.24 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 2.35 2.36 0.00 86 M 8.53 4.08 0.00 2.18 1.74 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.96 0.00 87 L 8.56 4.12 0.00 1.99 1.76 1.27 0.80 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 88 R 8.67 3.89 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.08 7.59 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 8.21 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 8.17 4.22 0.00 3.05 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 91 L 8.20 3.98 0.00 1.81 1.87 0.98 0.98 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 7.97 3.99 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 7.88 3.94 0.00 1.88 1.82 0.91 0.61 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 8.52 4.06 0.00 2.28 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 2.63 2.72 0.00 95 L 8.23 4.03 0.00 2.01 1.75 0.96 1.44 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 96 D 8.37 4.49 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 97 G 8.36 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.34 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.10 3.82 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.11 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.68 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 0.00 101 L 8.09 3.98 0.00 1.99 1.73 1.01 0.86 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 8.15 3.89 0.00 1.97 1.99 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 7.94 3.89 0.00 2.03 2.09 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 2.38 2.38 0.00 104 A 7.79 2.80 0.98 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 0.00 105 I 7.92 3.74 1.90 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 0.86 0.91 0.00 0.00 106 G 7.65 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 7.83 4.06 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.34 3.82 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 0.00 109 D 7.92 4.04 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.47 4.10 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 0.00 111 V 7.02 3.84 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 0.49 0.00 0.00 0.67 0.00 0.00 112 H 7.12 2.94 0.00 3.20 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.79 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 4.53 0.00 2.63 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 7.42 4.30 0.00 3.11 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 0.00 115 V 7.87 3.73 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 116 S 8.27 4.16 0.00 4.20 4.04 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 0.00 117 R 8.10 3.88 0.00 1.89 2.17 0.00 3.35 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 118 D 8.39 4.29 0.00 2.93 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 0.00 119 M 8.34 3.97 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 120 M 8.32 4.15 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.79 0.00 121 I 8.12 3.74 2.01 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 0.98 0.92 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 7.64 3.58 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.86 0.74 0.00 0.00 124 L 8.19 3.98 0.00 1.84 1.83 0.99 0.85 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 0.00 125 R 8.09 3.89 0.00 2.06 2.12 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.94 4.35 0.00 3.03 2.68 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 0.00 0.00 0.00 0.00 127 E 8.16 3.92 0.00 2.17 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 2.58 2.52 0.00 128 E 8.57 4.10 0.00 2.31 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 2.43 0.00 129 G 7.93 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 0.00 130 H 8.13 4.43 0.00 3.63 3.60 0.00 5.65 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 8.42 3.81 2.12 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 1.50 0.86 0.97 0.00 0.00 132 D 8.41 4.38 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.53 4.16 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.26 3.68 0.00 2.01 1.75 1.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.90 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 136 T 7.82 3.80 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 1.18 0.00 0.00 137 E 7.74 3.78 0.00 1.51 1.67 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 1.47 1.47 0.00 138 L 7.82 3.76 0.00 1.76 1.61 0.88 1.26 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 8.13 4.32 0.00 2.77 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 0.00 140 L 8.04 3.98 0.00 1.89 1.84 0.98 1.08 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 7.52 3.37 1.69 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 -0.30 -0.11 0.69 0.00 0.00 142 Q 7.40 3.92 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.06 4.13 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 144 M 8.32 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.54 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.34 3.99 0.00 1.74 1.66 0.95 0.68 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 8.03 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.14 4.34 0.00 2.96 2.89 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 7.86 3.99 0.00 3.05 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 0.00 150 L 8.31 4.07 0.00 2.07 1.70 1.06 0.96 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 8.22 3.90 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.73 4.13 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 7.86 4.33 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 154 I 7.42 3.95 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 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.59 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.63 4.06 0.00 2.13 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 2.26 2.28 0.00 157 E 8.59 3.96 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 2.29 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.