NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1874 8.1627 120.2787 54.7040 33.2527 173.9980 2 K 4.0854 8.5295 128.2645 56.2859 32.7161 175.0781 3 G 4.0106 8.6065 116.1299 44.8591 0.0000 171.3992 4 D 4.6740 8.4319 119.2437 54.0422 42.0640 177.2053 5 T 3.8543 8.9176 123.0453 66.9623 68.5676 176.5670 6 K 3.8058 8.1446 120.7102 59.0585 32.1928 178.8742 7 V 3.8722 8.4686 118.8695 66.2387 31.4587 177.9845 8 I 3.8004 7.7503 119.3617 64.4668 36.9146 178.1256 9 N 4.2376 8.2949 117.2663 56.4622 38.3827 176.9928 10 Y 4.0929 7.9716 117.9313 61.1468 38.0456 178.4651 11 L 3.8519 8.5551 120.1213 58.1600 41.6852 179.5586 12 N 4.3265 8.4884 116.4930 56.0340 38.4459 177.4565 13 K 3.8656 7.9951 121.0394 59.3905 32.3329 178.8546 14 L 3.8139 8.2290 119.5852 57.6529 41.4963 179.0235 15 L 4.0258 7.8371 120.6843 58.2476 41.8819 179.2868 16 G 3.6264 8.1815 105.6625 47.9167 0.0000 175.3665 17 N 4.3809 8.0218 118.9644 56.0498 38.5034 177.3043 18 E 4.1096 8.2682 120.1864 59.3036 29.1849 179.0334 19 L 4.3012 8.0833 118.7075 57.2835 40.7808 179.4234 20 V 3.6240 7.7092 120.5380 64.8100 31.4675 177.9997 21 A 3.9066 8.0717 121.7007 54.8851 18.2174 179.4147 22 I 3.7610 8.2066 118.5973 64.9484 37.1941 178.4559 23 N 4.4300 7.8862 115.9317 56.2528 38.3212 177.4546 24 Q 3.8376 8.3580 121.2542 59.3732 29.0840 177.8062 25 Y 4.2956 8.5193 118.2550 60.9653 37.9862 178.3281 26 F 3.9065 8.4909 121.7484 61.0184 39.6076 176.9448 27 L 3.9401 8.2437 120.0466 58.5770 41.8958 178.3574 28 H 3.7938 8.3007 116.1261 58.9027 28.6456 177.3115 29 A 4.1582 8.1284 122.3127 55.4877 18.2584 179.6660 30 R 3.9278 7.5974 114.8736 58.1651 30.2523 179.1720 31 M 3.4341 7.5248 119.2906 58.1151 31.9006 178.3976 32 F 4.6038 7.4367 117.9180 60.6461 39.1334 177.6781 33 K 3.9554 8.2051 119.1506 59.4403 31.7708 178.2406 34 N 4.2820 7.7299 116.1366 56.5723 39.0156 176.3993 35 W 4.7552 7.8304 117.1428 57.4385 29.0751 177.2155 36 G 3.9847 8.3524 108.2091 46.1759 0.0000 174.2747 37 L 4.7022 7.9207 121.9818 52.6604 38.2196 177.0072 38 K 3.8176 7.9706 122.8246 59.9883 32.6202 177.3772 39 R 3.9893 8.3375 118.8567 59.0550 29.9514 178.3927 40 L 4.1255 7.8405 118.6910 57.2749 41.5002 178.8380 41 N 4.5429 8.1631 116.7091 56.8558 39.0554 176.2992 42 D 4.3766 8.0544 120.2719 57.5700 40.9716 179.2588 43 V 3.3552 7.6305 118.1766 65.8586 31.5094 177.7570 44 E 3.8432 8.3999 119.2786 59.1517 29.5344 177.9577 45 Y 3.9781 8.4312 120.1721 61.0922 38.8905 177.7226 46 H 3.9630 8.2846 118.9453 59.2532 29.8623 177.0538 47 E 3.5397 7.7926 120.4164 58.6568 29.1161 178.8887 48 S 4.0531 7.6030 113.4219 61.5575 62.4071 176.3900 49 I 3.5142 7.1655 122.0682 64.2949 36.7766 177.9531 50 D 4.1804 7.6934 119.5852 57.6150 40.6196 178.8776 51 E 3.9981 8.0802 118.7051 59.6829 29.3623 179.4646 52 M 4.0433 7.9453 118.7169 58.3183 32.0320 178.8717 53 K 3.9467 7.9663 118.5981 59.6383 32.1736 179.0560 54 H 4.0797 8.2507 116.1958 58.7965 28.6096 177.4679 55 A 4.2200 8.2404 122.6274 55.4366 18.2505 178.9134 56 D 4.3000 8.4562 116.7667 57.7150 41.1981 178.8152 57 R 3.8581 7.9062 118.1852 59.4824 30.0866 178.5018 58 Y 4.3492 7.6925 116.3278 61.3221 37.9013 178.9038 59 I 3.7709 8.1389 120.6953 64.6951 37.2696 178.4698 60 E 4.0505 8.3539 119.2714 59.1051 29.1966 179.5345 61 R 4.0398 8.0330 118.9587 59.4964 30.1857 178.3637 62 I 3.7620 8.4034 119.9617 64.6493 37.1450 178.4130 63 L 4.0183 8.1794 119.6269 57.7625 41.2139 179.3918 64 F 4.3454 8.1492 119.7246 61.1530 39.6999 176.4633 65 L 4.3416 8.2077 117.9577 53.9502 41.1974 177.1634 66 E 3.8723 8.0214 117.6740 57.4115 27.0231 174.4780 67 G 3.9462 8.1345 108.1578 44.0174 0.0000 173.6978 68 L 4.5192 8.0154 119.0161 52.0363 42.0507 175.2399 69 P 4.4163 0.0000 0.0000 62.4915 31.7763 175.8414 70 N 4.7461 9.6123 122.2362 52.3457 39.0551 173.8569 71 L 4.6449 8.2765 124.2695 54.6540 42.5364 178.0017 72 Q 4.0868 8.5799 119.8754 58.7600 28.8284 176.4435 73 D 4.6584 8.0452 116.5327 53.0138 41.8810 175.4251 74 L 4.6087 8.2624 125.3001 52.6973 44.2317 176.3356 75 G 3.7999 8.4882 114.9650 44.6652 0.0000 172.3109 76 K 4.0254 8.3082 120.6798 55.9977 32.3186 176.2564 77 L 4.0823 8.4130 127.0190 54.3608 42.2421 176.0195 78 N 4.7819 8.7864 122.1922 51.9208 39.5572 173.2451 79 I 4.3556 8.1754 126.5733 59.6031 38.7635 176.5934 80 G 4.0441 8.6073 114.0323 44.9199 0.0000 172.7551 81 E 4.6632 8.7937 116.8786 56.4989 31.0138 176.5199 82 D 4.9717 7.6600 117.6148 50.2815 44.0229 176.0030 83 V 4.0297 8.5554 119.6400 66.7414 31.4123 177.6368 84 E 3.8156 8.2086 117.9119 59.4545 29.5786 178.0042 85 E 3.9734 8.5331 119.3986 59.6627 29.5883 178.8981 86 M 4.0741 8.5384 117.2185 58.3468 31.4046 178.5183 87 L 4.1277 8.5658 120.6734 57.5981 41.8638 179.5373 88 R 3.9051 8.6720 118.9070 59.3188 30.0414 178.5812 89 S 4.1093 8.2072 113.1863 61.3604 62.3266 175.8073 90 D 4.2203 8.1631 121.6995 57.1169 40.4710 178.4503 91 L 3.9877 8.1786 120.6070 58.3324 42.1766 178.9799 92 A 3.9871 7.9639 120.4607 54.9668 18.2191 179.4304 93 L 3.9392 7.8460 118.5838 58.1679 42.0951 178.9272 94 E 4.0587 8.5333 118.9073 59.5197 29.4778 179.2651 95 L 4.0277 8.1789 119.0652 58.0379 41.7972 179.4268 96 D 4.4852 8.3510 118.8556 57.3234 40.7803 179.0407 97 G 3.6811 8.3555 106.0646 47.7479 0.0000 175.5971 98 A 4.0530 8.4482 123.4766 54.6519 18.4629 179.4717 99 K 3.8367 8.0896 118.1819 59.9918 32.3037 178.7342 100 N 4.4097 8.1036 116.2954 56.2099 38.3201 177.4654 101 L 3.9867 8.0876 120.3895 57.8046 41.7349 179.5675 102 R 3.8891 8.0751 118.0109 59.3488 30.0617 178.7066 103 E 3.8770 8.0870 118.4698 59.2889 29.6546 178.7511 104 A 2.8407 7.7915 120.7225 54.6912 18.3887 179.7162 105 I 3.7386 7.9867 118.7719 64.4606 37.0554 178.9153 106 G 3.5940 7.8648 106.2123 47.8011 0.0000 175.2184 107 Y 3.8935 7.9348 121.6278 60.3323 38.8677 177.4421 108 A 3.8147 8.3337 122.2076 55.5039 18.5071 179.1240 109 D 4.0379 7.8842 116.2388 57.2707 41.0815 178.3332 110 S 4.1616 7.2969 113.1200 60.0274 63.3090 175.7039 111 V 3.9182 6.6654 114.5308 60.7749 31.4477 175.7411 112 H 2.9829 6.8984 113.4419 56.8060 26.9540 176.4419 113 D 4.5252 7.3520 121.4435 53.3263 37.8340 176.1756 114 Y 4.3017 7.3966 121.5206 60.5000 38.3618 178.1524 115 V 3.7345 7.8688 119.9329 64.6398 31.7901 178.3235 116 S 4.1607 8.2521 115.5393 61.5392 62.6485 176.6347 117 R 3.8821 8.1068 121.1340 59.4929 29.8831 178.0855 118 D 4.2888 8.3408 117.9519 57.4670 41.2700 177.6279 119 M 3.9692 8.3242 119.0863 59.2466 32.1145 178.2136 120 M 4.1555 8.2978 118.7778 58.3508 32.1053 178.8591 121 I 3.7426 8.1269 120.4241 64.2155 37.3502 178.2860 122 E 3.9620 8.1003 119.2140 59.5025 29.3407 179.4376 123 I 3.5794 7.6481 119.7901 64.2668 37.0479 178.2513 124 L 3.9786 8.1876 121.5463 58.0990 41.9949 178.9443 125 R 3.8922 8.0912 118.7170 59.5373 29.9659 178.2781 126 D 4.3471 7.9430 118.3276 57.2398 40.8079 178.6507 127 E 3.9061 8.1646 119.0867 59.4305 29.4604 178.6785 128 E 4.1028 8.5732 119.8790 59.4498 29.5314 179.2147 129 G 3.6508 7.9077 104.9300 48.2250 0.0000 175.3151 130 H 4.4402 8.1060 119.1098 58.5964 28.6607 177.8588 131 I 3.8086 8.4422 121.8971 64.5820 37.0085 177.7402 132 D 4.3806 8.4246 118.9342 57.1977 40.9165 178.1615 133 W 4.1206 8.5169 128.5637 60.5111 30.7318 177.5402 134 L 3.6834 8.2373 118.8541 58.0889 41.1965 179.4151 135 E 3.9030 8.3914 118.2526 59.8540 29.3265 179.7815 136 T 3.8097 7.7999 115.4856 66.5338 68.5163 176.5989 137 E 3.7740 7.7520 120.5155 59.3995 28.9537 179.3870 138 L 3.7647 7.8194 119.0348 57.9779 41.5885 179.4651 139 D 4.3208 8.1133 118.6879 57.2112 40.6167 178.8097 140 L 3.9770 8.0235 119.8573 57.7277 41.6654 179.4938 141 I 3.3819 7.5004 119.8281 64.3563 36.7217 178.2871 142 Q 3.9314 7.4073 118.6221 58.8984 28.9405 178.0150 143 K 4.1305 8.0478 119.2293 59.0610 32.3186 178.4411 144 M 4.3902 8.3235 114.5066 54.1112 32.3916 177.3372 145 G 4.0777 7.5445 104.9056 45.8258 0.0000 174.4353 146 L 3.9940 8.3323 120.5195 57.9573 42.1073 179.1925 147 Q 3.9969 8.0248 117.5204 59.2282 28.7947 178.5086 148 N 4.3390 8.1335 116.8943 56.2921 38.3965 176.5821 149 Y 3.9880 7.8569 120.0516 60.6976 39.1023 178.0210 150 L 4.0785 8.3219 120.0405 57.9789 41.6640 179.2149 151 Q 3.9017 8.2311 119.2078 59.1570 28.7085 177.8870 152 A 4.1415 7.7397 119.5608 53.5094 18.6355 178.2167 153 Q 4.3357 7.8515 116.0868 55.5942 29.2218 177.5175 154 I 3.9392 7.4326 121.2454 62.5987 37.4366 176.3385 155 R 4.5918 7.5406 119.7186 53.6433 32.1801 174.7887 156 E 4.0484 8.6352 123.4788 56.0125 30.2938 176.0172 157 E 3.9363 8.6010 123.6100 55.7951 30.3667 176.6114 *158 G 3.7297 8.6099 114.1287 45.8912 0.0000 172.2052 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 4.19 0.00 1.45 1.86 0.00 0.00 0.00 0.00 0.00 0.02 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 4.09 0.00 1.84 1.67 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 8.43 4.67 0.00 2.78 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 5 T 8.92 3.85 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 3.81 0.00 1.67 1.73 0.00 1.41 0.00 0.00 1.05 0.00 0.00 2.31 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.83 1.02 7.81 7 V 8.47 3.87 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 1.15 0.00 0.00 1.22 0.00 0.00 8 I 7.75 3.80 2.03 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 8.29 4.24 0.00 2.72 2.58 0.00 0.00 7.02 7.01 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 10 Y 7.97 4.09 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 8.56 3.85 0.00 2.00 1.78 1.12 0.79 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 4.33 0.00 2.87 2.81 0.00 0.00 6.70 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 13 K 8.00 3.87 0.00 1.76 1.95 0.00 1.59 0.00 0.00 1.64 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 8.23 3.81 0.00 1.05 1.17 0.91 0.49 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 4.03 0.00 1.67 1.85 1.03 1.10 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 8.18 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 8.02 4.38 0.00 2.98 2.92 0.00 0.00 7.06 7.70 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 18 E 8.27 4.11 0.00 2.32 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 2.81 2.86 0.00 19 L 8.08 4.30 0.00 1.90 1.94 0.99 0.82 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 7.71 3.62 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 0.86 0.00 0.00 0.91 0.00 0.00 21 A 8.07 3.91 1.56 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 0.00 0.00 22 I 8.21 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 0.84 0.90 0.00 0.00 23 N 7.89 4.43 0.00 2.93 2.87 0.00 0.00 6.72 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 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 2.04 0.00 25 Y 8.52 4.30 0.00 3.25 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 8.49 3.91 0.00 3.46 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 27 L 8.24 3.94 0.00 1.95 1.58 0.88 0.85 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 8.30 3.79 0.00 3.43 3.22 0.00 5.70 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 8.13 4.16 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 30 R 7.60 3.93 0.00 1.73 1.85 0.00 3.19 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 1.25 1.55 0.00 31 M 7.52 3.43 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 1.55 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 7.44 4.60 0.00 3.34 3.07 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 33 K 8.21 3.96 0.00 1.94 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 7.73 4.28 0.00 2.72 2.68 0.00 0.00 7.32 7.99 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 35 W 7.83 4.76 0.00 3.74 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 36 G 8.35 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 37 L 7.92 4.70 0.00 2.14 1.65 1.07 0.95 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 3.82 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 8.34 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 7.84 4.13 0.00 1.72 1.08 1.07 -0.06 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 8.16 4.54 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 8.05 4.38 0.00 2.72 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 7.63 3.36 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 -0.63 0.00 0.00 0.66 0.00 0.00 44 E 8.40 3.84 0.00 2.54 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 8.43 3.98 0.00 3.02 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 46 H 8.28 3.96 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 7.79 3.54 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 7.60 4.05 0.00 3.92 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 7.17 3.51 1.71 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 0.95 0.69 0.78 0.00 0.00 50 D 7.69 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 8.08 4.00 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 7.95 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 7.97 3.95 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 8.25 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 8.24 4.22 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 8.46 4.30 0.00 2.86 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 7.69 4.35 0.00 3.23 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 59 I 8.14 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 0.81 0.95 0.00 0.00 60 E 8.35 4.05 0.00 2.05 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 2.63 0.00 61 R 8.03 4.04 0.00 2.11 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 8.40 3.76 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 0.99 0.00 0.00 63 L 8.18 4.02 0.00 2.10 1.80 0.95 0.95 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 8.15 4.35 0.00 3.02 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 8.21 4.34 0.00 1.80 1.62 1.03 0.64 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 8.02 3.87 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 4.52 0.00 1.62 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 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 9.61 4.75 0.00 2.59 2.81 0.00 0.00 7.10 8.42 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 71 L 8.28 4.64 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 8.58 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 3.80 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 4.03 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 8.41 4.08 0.00 1.64 1.56 0.90 0.98 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 78 N 8.79 4.78 0.00 2.64 2.71 0.00 0.00 7.16 8.08 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 79 I 8.18 4.36 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 8.61 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 4.03 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 1.11 0.00 0.00 1.24 0.00 0.00 84 E 8.21 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 8.53 3.97 0.00 2.24 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 2.35 2.36 0.00 86 M 8.54 4.07 0.00 2.17 1.73 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.96 0.00 87 L 8.57 4.13 0.00 1.99 1.77 1.28 0.86 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 88 R 8.67 3.91 0.00 2.09 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 8.16 4.22 0.00 3.06 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 91 L 8.18 3.99 0.00 1.81 1.86 0.98 0.90 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 7.96 3.99 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 93 L 7.85 3.94 0.00 1.87 1.82 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 8.53 4.06 0.00 2.27 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 2.73 0.00 95 L 8.18 4.03 0.00 2.02 1.75 0.96 1.31 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 8.35 4.49 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 8.36 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 8.45 4.05 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 8.09 3.84 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 8.10 4.41 0.00 3.02 2.90 0.00 0.00 7.11 6.42 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 0.00 101 L 8.09 3.99 0.00 1.99 1.73 0.98 0.82 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 8.08 3.89 0.00 1.98 1.99 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 1.96 0.00 103 E 8.09 3.88 0.00 2.08 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 2.39 2.39 0.00 104 A 7.79 2.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.74 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 1.08 0.91 0.00 0.00 106 G 7.86 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 7.93 3.89 0.00 3.18 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 8.33 3.81 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 7.88 4.04 0.00 2.76 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 7.30 4.16 0.00 3.88 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 6.67 3.92 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 0.47 0.00 0.00 0.71 0.00 0.00 112 H 6.90 2.98 0.00 3.21 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.35 4.53 0.00 2.63 2.46 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 0.00 114 Y 7.40 4.30 0.00 3.12 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 1.08 0.00 0.00 0.97 0.00 0.00 116 S 8.25 4.16 0.00 4.20 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 8.11 3.88 0.00 1.89 2.16 0.00 3.34 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 8.34 4.29 0.00 2.94 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 8.32 3.97 0.00 2.25 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 2.48 0.00 120 M 8.30 4.16 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.29 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 8.13 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 1.00 0.92 0.00 0.00 122 E 8.10 3.96 0.00 2.18 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 7.65 3.58 1.94 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 0.70 0.00 0.00 124 L 8.19 3.98 0.00 1.85 1.83 1.00 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 2.13 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.94 4.35 0.00 3.04 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 3.91 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 2.57 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 7.91 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 8.11 4.44 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 8.44 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 0.89 0.97 0.00 0.00 132 D 8.42 4.38 0.00 2.93 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 8.52 4.12 0.00 3.55 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 8.24 3.68 0.00 2.01 1.75 1.24 1.29 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 8.39 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 7.80 3.81 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 7.75 3.77 0.00 1.50 1.68 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 1.47 1.47 0.00 138 L 7.82 3.76 0.00 1.75 1.61 0.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.11 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 8.02 3.98 0.00 1.89 1.84 1.01 1.06 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 7.50 3.38 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.69 0.00 0.00 142 Q 7.41 3.93 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 8.05 4.13 0.00 1.76 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 4.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.22 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 4.08 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 0.00 146 L 8.33 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 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.02 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 8.13 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 3.06 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.32 4.08 0.00 2.07 1.70 1.06 0.94 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 0.00 151 Q 8.23 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 7.74 4.14 1.19 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 0.00 0.00 0.00 0.00 0.00 153 Q 7.85 4.34 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 154 I 7.43 3.94 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 8.64 4.05 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 8.60 3.94 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.