NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1245 8.1627 120.2768 54.8657 33.2896 173.9394 2 K 3.8747 8.4036 127.8322 55.6904 32.5406 175.1088 3 G 3.9558 8.6881 116.1272 45.0886 0.0000 171.3366 4 D 4.5865 8.4573 119.6526 54.1986 41.8172 177.0641 5 T 3.8670 8.8752 122.9961 66.8464 68.4843 176.5210 6 K 3.8308 8.1547 120.9236 59.0241 32.2147 178.8314 7 V 3.9327 8.4617 118.8564 66.2984 31.4257 177.9886 8 I 3.7738 7.9954 119.4737 64.4286 36.9149 177.9127 9 N 4.2063 8.3346 118.0046 56.8010 38.6985 176.4402 10 Y 4.0920 8.2020 118.4503 61.2439 37.9445 178.7038 11 L 3.9206 8.4734 120.1670 57.9566 41.6289 179.4537 12 N 4.3311 8.3951 116.5666 55.9233 38.4468 177.4771 13 K 3.8720 7.9448 121.2212 59.3859 32.2988 178.9760 14 L 3.8353 8.0831 119.7230 57.4694 41.3587 178.9854 15 L 3.9694 7.7008 120.8265 58.1577 42.0491 179.1621 16 G 3.6630 8.1354 105.5303 48.0638 0.0000 175.1395 17 N 4.3498 8.1548 119.1096 56.2142 38.5714 177.4023 18 E 4.1221 8.3445 119.8327 59.3261 29.2882 179.3815 19 L 4.0504 8.2800 119.4366 57.6176 41.5686 179.6808 20 V 3.5804 7.7527 117.6755 66.0700 31.4862 177.9794 21 A 3.8582 8.0169 120.4612 54.9963 18.1942 179.2957 22 I 3.7555 8.2803 118.8352 65.0371 37.2727 178.3566 23 N 4.3925 7.8990 116.6247 56.2601 38.3776 177.4383 24 Q 3.8100 8.3099 121.1883 59.4584 29.1082 177.8372 25 Y 4.3061 8.2370 118.1973 61.0223 37.8625 178.4987 26 F 3.8758 8.5083 121.6209 61.1580 39.5034 177.0008 27 L 4.0120 8.2130 120.0553 58.4737 41.7988 178.6107 28 H 3.8134 8.3101 115.9943 58.5286 28.5160 177.4822 29 A 4.1132 8.1159 122.8290 55.5560 18.1964 180.0638 30 R 3.8007 7.7895 116.1115 59.1575 30.0312 179.3206 31 M 3.4850 7.8416 119.0992 58.0922 31.7504 178.6530 32 F 4.6704 7.7311 118.0954 60.4520 39.0191 177.5951 33 K 3.9306 8.4402 119.6504 59.5768 31.8036 178.1611 34 N 4.2620 7.9502 116.0547 56.6392 38.9431 176.2736 35 W 4.7692 7.9443 117.4993 57.4336 29.3365 177.2351 36 G 4.0023 8.4529 108.2232 45.7642 0.0000 174.0122 37 L 4.7595 8.0497 122.4651 52.8983 40.4027 177.3290 38 K 3.9620 8.0550 122.0838 59.3982 32.4626 178.5776 39 R 3.9121 8.2510 119.1662 59.3753 29.9665 178.6274 40 L 4.0851 7.7675 118.4261 57.4157 41.5736 178.4655 41 N 4.5396 8.3929 117.2123 57.0587 38.8688 176.6275 42 D 4.3037 8.1686 119.9761 57.4011 40.8494 179.0499 43 V 3.3647 7.6861 118.6684 65.9560 31.4058 177.9999 44 E 3.7723 8.3523 118.4527 59.2358 29.2284 178.7062 45 Y 3.7779 8.2452 120.0148 61.0948 38.8205 177.9933 46 H 4.0765 8.2398 116.7912 58.4465 28.7254 177.7011 47 E 3.4888 7.9685 121.2183 58.9488 29.0259 179.0785 48 S 4.1427 7.8247 113.2911 61.5428 62.4347 176.3009 49 I 3.5672 7.5023 122.3957 64.4387 36.7817 177.9814 50 D 4.2494 8.1650 119.8960 57.6338 40.5699 178.9289 51 E 4.1603 8.1852 118.7480 59.3041 29.3750 179.2382 52 M 4.0634 8.0806 119.0986 58.3093 32.0284 178.8255 53 K 3.9246 8.1547 118.6259 59.7269 32.2155 179.0004 54 H 4.0927 8.2260 116.1940 58.8993 28.5822 177.5797 55 A 4.2505 8.4042 122.7551 55.2532 18.1225 179.0003 56 D 4.2965 8.3123 116.5485 57.7165 41.2676 178.7584 57 R 3.8591 7.9278 118.3141 59.4891 29.9789 178.6873 58 Y 4.2708 7.8627 116.3531 61.1173 37.8881 178.5454 59 I 3.7744 8.1827 120.9881 64.6881 37.2374 178.3330 60 E 4.0242 8.4549 119.3872 59.3745 29.2667 179.5362 61 R 4.0262 8.2996 118.7883 59.4636 30.1963 178.4460 62 I 3.7740 8.2424 120.0641 64.6040 37.1753 178.4130 63 L 4.0228 8.1649 119.6600 57.6940 41.2110 179.2232 64 F 4.3809 8.2865 119.7749 61.3541 39.6332 176.4561 65 L 4.5830 7.9534 117.2940 53.9333 41.1837 177.2118 66 E 3.8700 7.9886 117.6033 57.3457 27.0034 174.5256 67 G 3.9405 7.9383 107.7845 44.0591 0.0000 173.8261 68 L 4.5272 8.0042 118.9739 51.9750 42.0713 175.2161 69 P 4.3625 0.0000 0.0000 62.5885 31.7315 176.0262 70 N 4.6679 9.3383 122.6567 52.4968 38.3908 173.9851 71 L 4.5966 8.2976 124.1513 54.5243 42.3164 177.4505 72 Q 4.1108 8.4452 121.9403 57.8687 29.3927 175.6947 73 D 4.5832 8.1523 118.0057 53.1106 41.3044 175.0928 74 L 4.5647 8.3409 126.4826 52.8703 43.8154 176.5244 75 G 3.8824 8.3585 115.1482 44.2814 0.0000 172.2832 76 K 4.0678 8.3224 120.5767 56.1323 32.6127 176.4865 77 L 4.3691 8.2357 125.9356 53.9260 42.7765 176.2969 78 N 4.8056 8.9759 120.0458 51.7986 39.7566 174.6275 79 I 3.7260 8.3189 125.4629 64.1833 37.5879 178.3443 80 G 4.1672 8.3774 102.5017 45.8233 0.0000 172.6088 81 E 4.8390 9.0406 115.4306 54.8704 31.7240 176.0483 82 D 4.9925 7.7753 118.0500 50.3816 44.0275 176.2413 83 V 4.0263 8.3751 119.0652 66.4435 31.4599 177.6775 84 E 3.8722 8.2171 118.3571 59.3558 29.5744 178.3020 85 E 3.9824 8.8323 118.8724 59.7162 29.5156 179.3471 86 M 4.0571 8.3664 118.6497 58.4840 31.9880 178.8692 87 L 4.1969 8.3078 119.2455 57.9715 41.7731 179.8111 88 R 3.9305 8.3613 118.3219 59.1864 29.9609 179.1418 89 S 4.1033 8.2851 113.0205 61.5085 62.4628 175.8919 90 D 4.2728 8.3415 121.6781 57.2042 40.5325 178.5783 91 L 4.0330 8.3388 120.8387 58.1754 42.1216 178.9421 92 A 4.0220 8.2346 120.8299 54.9439 18.2311 179.3301 93 L 3.8994 8.0555 118.8984 58.3361 42.1148 179.0805 94 E 4.0397 8.3349 118.4691 59.5644 29.4552 179.4361 95 L 4.0457 8.1568 118.9899 57.7360 41.6961 179.2382 96 D 4.4700 8.3974 119.1372 57.4490 40.7487 179.1582 97 G 3.6576 8.4130 106.0593 47.6753 0.0000 175.6508 98 A 4.0404 8.3346 123.2192 54.7588 18.4000 179.6675 99 K 3.8609 8.0361 117.0624 59.9263 32.1962 179.2333 100 N 4.4219 8.0435 115.9587 56.2746 38.3687 177.4596 101 L 4.0099 8.1596 120.4708 57.8986 41.7187 179.7644 102 R 3.8917 8.2815 118.2324 59.2050 30.0069 178.7052 103 E 3.8606 8.2596 118.7895 59.2752 29.6632 178.7758 104 A 2.7745 7.7837 120.7081 54.7693 18.4215 179.6968 105 I 3.7919 8.0395 118.8242 64.3292 36.9123 178.9462 106 G 3.5820 7.7954 105.7712 47.8610 0.0000 174.9208 107 Y 4.1292 7.9383 121.9457 60.3272 38.8825 177.6513 108 A 3.7489 8.3303 122.1332 55.1881 18.3937 179.0165 109 D 4.1897 7.8601 116.1499 57.5476 41.0930 178.7685 110 S 4.1766 7.5166 113.0114 60.4841 63.0306 175.8102 111 V 3.7901 6.8242 112.8832 60.2585 31.7471 175.1827 112 H 2.7618 7.2614 114.3502 56.9480 26.7889 176.3012 113 D 4.5080 7.2700 120.2443 53.6129 38.0569 175.6017 114 Y 4.3327 7.5325 121.2717 60.3037 38.4878 177.6098 115 V 3.6515 7.8566 119.1823 66.0690 31.7892 178.0874 116 S 4.1910 8.4256 115.0355 61.4542 62.5757 176.5536 117 R 3.8943 8.0554 121.4931 59.4665 29.8132 177.9433 118 D 4.3138 8.3413 117.8723 57.5806 41.2310 177.7584 119 M 3.9558 8.1260 118.5472 59.2203 32.1530 178.2036 120 M 4.1564 8.1403 118.5853 58.3422 32.0424 178.8566 121 I 3.7426 8.0528 120.2979 64.3439 37.2437 178.3332 122 E 3.9582 8.0464 119.0783 59.4010 29.2555 179.4299 123 I 3.5288 7.7418 119.8716 64.2348 37.0560 178.2176 124 L 3.9494 8.2835 121.5831 58.0567 41.9579 178.9070 125 R 3.8741 8.1892 118.7628 59.5610 30.0636 178.2036 126 D 4.3405 7.9663 118.5568 57.5081 40.7891 178.7229 127 E 3.9554 8.2606 119.0771 59.4631 29.3873 179.3007 128 E 4.1375 8.6453 119.0430 59.1410 29.4370 179.6077 129 G 3.6708 8.0900 105.8743 48.1607 0.0000 175.5216 130 H 4.4604 8.1699 118.5610 58.6576 28.6710 177.9466 131 I 3.8184 8.1490 121.7500 64.4429 37.0050 177.7858 132 D 4.3813 8.4313 119.0204 57.1725 40.9495 178.1311 133 W 4.1640 8.3400 128.6167 60.5440 30.7852 177.8885 134 L 3.7060 8.4341 118.8934 57.8761 41.1435 179.2103 135 E 3.9408 8.5100 118.8322 59.8828 29.3850 179.8024 136 T 3.8364 7.8664 115.4911 66.5358 68.5648 176.7654 137 E 3.7894 7.8654 120.7002 59.3057 28.8649 179.3388 138 L 3.7773 7.7057 118.8729 57.9387 41.6800 179.3863 139 D 4.3318 8.0266 118.6782 57.3249 40.6393 178.8576 140 L 4.0138 7.9051 119.5149 57.6963 41.6927 179.4196 141 I 3.3574 7.4308 119.8122 64.4350 36.7433 178.2539 142 Q 3.9222 7.3721 118.1487 59.0565 28.9736 177.9580 143 K 4.1523 7.9724 118.9203 58.6854 32.2814 178.2864 144 M 4.4067 8.3436 114.7175 53.8793 32.5139 176.9831 145 G 4.1092 7.5375 106.0833 46.0520 0.0000 174.4186 146 L 3.9602 8.3905 121.9932 58.0089 42.1008 179.5335 147 Q 3.9899 8.0186 117.4960 59.1586 28.7701 178.4426 148 N 4.3567 8.1109 116.9807 56.2482 38.4179 176.6028 149 Y 3.9770 8.0137 120.1855 60.7934 39.1466 178.0002 150 L 4.0659 8.3273 120.1085 57.8648 41.5454 179.2349 151 Q 3.9085 8.1288 119.2678 59.0400 28.7452 177.7248 152 A 4.1415 7.7808 119.3827 53.4080 18.6902 178.2208 153 Q 4.2669 7.8645 116.3901 55.7412 29.2035 177.3785 154 I 4.1028 7.2949 113.0458 61.9465 38.2397 176.3972 155 R 4.5832 7.5316 118.9123 53.9986 31.8007 175.9233 156 E 4.1334 8.5283 120.2776 56.7954 30.0961 175.3402 157 E 4.2865 8.5532 119.1691 57.5938 31.8716 176.1515 *158 G 3.7389 7.9034 110.6219 45.7457 0.0000 172.2498 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 4.12 0.00 1.25 1.74 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 2 K 8.40 3.87 0.00 2.09 1.67 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.08 7.81 3 G 8.69 3.96 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 0.00 0.00 0.00 4 D 8.46 4.59 0.00 2.83 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 8.88 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.15 3.83 0.00 1.75 2.04 0.00 1.08 0.00 0.00 1.41 0.00 0.00 2.61 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.47 0.71 7.81 7 V 8.46 3.93 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 1.19 0.00 0.00 1.11 0.00 0.00 8 I 8.00 3.77 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 1.44 0.56 0.92 0.00 0.00 9 N 8.33 4.21 0.00 2.72 2.81 0.00 0.00 7.22 8.22 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 10 Y 8.20 4.09 0.00 3.21 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 8.47 3.92 0.00 1.85 1.83 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.40 4.33 0.00 2.91 2.81 0.00 0.00 6.63 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 13 K 7.94 3.87 0.00 1.75 1.95 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 8.08 3.84 0.00 0.91 1.15 0.96 0.36 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 15 L 7.70 3.97 0.00 1.68 1.80 1.01 0.97 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 16 G 8.14 3.66 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 0.00 0.00 0.00 17 N 8.15 4.35 0.00 2.96 2.92 0.00 0.00 7.10 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 18 E 8.34 4.12 0.00 2.25 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 2.76 2.90 0.00 19 L 8.28 4.05 0.00 1.81 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 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 1.07 0.00 0.00 0.96 0.00 0.00 21 A 8.02 3.86 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 22 I 8.28 3.76 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.06 0.91 0.00 0.00 23 N 7.90 4.39 0.00 2.92 2.85 0.00 0.00 6.76 7.57 0.00 0.00 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 3.81 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 25 Y 8.24 4.31 0.00 3.16 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 26 F 8.51 3.88 0.00 3.30 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 27 L 8.21 4.01 0.00 1.83 1.67 0.87 0.93 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 28 H 8.31 3.81 0.00 3.47 3.05 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 8.12 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.80 0.00 1.77 1.92 0.00 3.20 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 31 M 7.84 3.48 0.00 0.91 1.51 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.20 0.00 32 F 7.73 4.67 0.00 3.28 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 33 K 8.44 3.93 0.00 1.97 1.94 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 34 N 7.95 4.26 0.00 2.69 2.72 0.00 0.00 7.34 8.10 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 35 W 7.94 4.77 0.00 3.75 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 36 G 8.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.76 0.00 1.95 1.62 1.18 1.04 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 38 K 8.05 3.96 0.00 1.88 1.86 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.61 7.81 39 R 8.25 3.91 0.00 2.04 2.00 0.00 3.08 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 40 L 7.77 4.09 0.00 1.45 0.84 0.47 0.74 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 41 N 8.39 4.54 0.00 3.08 3.02 0.00 0.00 7.20 8.09 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 42 D 8.17 4.30 0.00 2.90 2.71 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 43 V 7.69 3.36 1.66 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 -0.38 0.00 0.00 0.76 0.00 0.00 44 E 8.35 3.77 0.00 2.35 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 2.55 3.15 0.00 45 Y 8.25 3.78 0.00 2.88 2.98 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 46 H 8.24 4.08 0.00 3.12 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.97 3.49 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 2.02 1.75 0.00 48 S 7.82 4.14 0.00 3.97 3.93 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 49 I 7.50 3.57 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.21 0.85 0.00 0.00 50 D 8.17 4.25 0.00 2.82 2.64 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 51 E 8.19 4.16 0.00 2.22 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 0.00 2.74 2.82 0.00 52 M 8.08 4.06 0.00 2.04 2.23 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 2.83 2.56 0.00 53 K 8.15 3.92 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 54 H 8.23 4.09 0.00 3.54 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 8.40 4.25 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.31 4.30 0.00 2.91 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 7.93 3.86 0.00 1.82 1.78 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 58 Y 7.86 4.27 0.00 3.22 2.98 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 59 I 8.18 3.77 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.95 0.00 0.00 60 E 8.45 4.02 0.00 2.08 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 2.60 0.00 61 R 8.30 4.03 0.00 2.09 2.18 0.00 3.36 0.00 0.00 3.25 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 8.24 3.77 2.06 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 1.59 0.66 0.99 0.00 0.00 63 L 8.16 4.02 0.00 1.91 1.78 0.96 0.94 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 8.29 4.38 0.00 2.96 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 7.95 4.58 0.00 1.86 1.61 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.87 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 2.15 2.36 0.00 67 G 7.94 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 68 L 8.00 4.53 0.00 1.62 1.63 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.36 0.00 2.06 2.03 0.00 3.67 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 9.34 4.67 0.00 2.61 2.82 0.00 0.00 7.12 7.62 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 71 L 8.30 4.60 0.00 1.64 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.45 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.15 4.58 0.00 2.68 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 8.34 4.56 0.00 1.54 1.52 0.91 1.09 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 75 G 8.36 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 0.00 0.00 0.00 76 K 8.32 4.07 0.00 1.98 1.72 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.03 7.81 77 L 8.24 4.37 0.00 1.65 1.53 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.98 4.81 0.00 2.58 2.69 0.00 0.00 7.19 8.02 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 79 I 8.32 3.73 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.92 0.00 0.00 80 G 8.38 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 9.04 4.84 0.00 2.00 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 2.30 2.26 0.00 82 D 7.78 4.99 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.38 4.03 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 1.24 0.00 0.00 84 E 8.22 3.87 0.00 2.00 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 2.35 2.32 0.00 85 E 8.83 3.98 0.00 2.38 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 2.36 2.38 0.00 86 M 8.37 4.06 0.00 1.63 2.38 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 87 L 8.31 4.20 0.00 1.71 1.75 0.85 1.41 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 88 R 8.36 3.93 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 89 S 8.29 4.10 0.00 3.99 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 90 D 8.34 4.27 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.03 0.00 1.82 1.88 0.99 1.17 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 8.23 4.02 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.06 3.90 0.00 1.84 1.79 0.91 0.65 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 8.33 4.04 0.00 2.31 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 2.63 2.73 0.00 95 L 8.16 4.05 0.00 1.86 1.74 0.95 0.99 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 96 D 8.40 4.47 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 97 G 8.41 3.66 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 0.00 0.00 0.00 98 A 8.33 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.86 0.00 2.07 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 100 N 8.04 4.42 0.00 2.98 2.92 0.00 0.00 7.09 7.02 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 8.16 4.01 0.00 1.88 1.74 0.98 0.98 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 8.28 3.89 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 103 E 8.26 3.86 0.00 2.19 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 0.00 2.45 2.41 0.00 104 A 7.78 2.77 1.04 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 0.00 105 I 8.04 3.79 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 0.97 0.92 0.00 0.00 106 G 7.80 3.58 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 0.00 0.00 0.00 107 Y 7.94 4.13 0.00 3.12 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 0.00 108 A 8.33 3.75 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 0.00 109 D 7.86 4.19 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 0.00 110 S 7.52 4.18 0.00 4.03 3.91 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 0.00 111 V 6.82 3.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.55 0.00 0.00 112 H 7.26 2.76 0.00 3.14 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.27 4.51 0.00 2.61 2.44 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 0.00 114 Y 7.53 4.33 0.00 3.08 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 0.00 115 V 7.86 3.65 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.43 4.19 0.00 4.17 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 0.00 117 R 8.06 3.89 0.00 1.91 2.17 0.00 3.35 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 1.70 1.68 0.00 118 D 8.34 4.31 0.00 2.98 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 0.00 119 M 8.13 3.96 0.00 2.28 2.04 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 2.49 2.43 0.00 120 M 8.14 4.16 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.81 0.00 121 I 8.05 3.74 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 0.73 0.92 0.00 0.00 122 E 8.05 3.96 0.00 2.14 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 2.53 0.00 123 I 7.74 3.53 1.93 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 1.09 0.55 0.75 0.00 0.00 124 L 8.28 3.95 0.00 1.83 1.85 0.94 0.76 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 8.19 3.87 0.00 2.01 2.10 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 7.97 4.34 0.00 2.96 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 8.26 3.96 0.00 2.15 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 2.56 2.55 0.00 128 E 8.65 4.14 0.00 2.03 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 2.52 0.00 129 G 8.09 3.67 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 0.00 0.00 0.00 130 H 8.17 4.46 0.00 3.55 3.57 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 8.15 3.82 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 0.93 0.97 0.00 0.00 132 D 8.43 4.38 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.34 4.16 0.00 3.54 3.49 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 0.00 0.00 0.00 0.00 134 L 8.43 3.71 0.00 2.01 1.77 1.26 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.51 3.94 0.00 2.12 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 0.00 2.34 2.57 0.00 136 T 7.87 3.84 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 1.17 0.00 0.00 137 E 7.87 3.79 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 7.71 3.78 0.00 1.73 1.62 0.89 0.83 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 8.03 4.33 0.00 2.80 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 7.91 4.01 0.00 1.90 1.84 0.95 0.67 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 7.43 3.36 1.70 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 -0.10 0.69 0.00 0.00 142 Q 7.37 3.92 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 7.97 4.15 0.00 1.77 1.84 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.61 7.81 144 M 8.34 4.41 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.87 0.00 145 G 7.54 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 8.39 3.96 0.00 1.74 1.66 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.02 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.11 4.36 0.00 2.93 2.88 0.00 0.00 6.71 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 8.01 3.98 0.00 2.99 3.13 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 0.00 0.00 0.00 0.00 150 L 8.33 4.07 0.00 1.72 1.69 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.13 3.91 0.00 2.22 2.24 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 2.36 0.00 152 A 7.78 4.14 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 4.27 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 154 I 7.29 4.10 1.87 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 1.53 1.38 0.94 0.00 0.00 155 R 7.53 4.58 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 156 E 8.53 4.13 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 157 E 8.55 4.29 0.00 1.89 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 2.18 2.26 0.00 *158 G 7.90 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.