NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1473 8.1627 120.2751 54.7582 33.2276 173.9080 2 K 3.9476 8.4706 128.1540 56.0102 32.6130 175.1455 3 G 3.9790 8.7283 116.1238 44.9840 0.0000 171.5695 4 D 4.5624 8.4814 119.6380 54.3446 41.8346 176.9963 5 T 3.8670 8.9164 122.9590 66.9021 68.4960 176.5486 6 K 3.8063 8.1644 120.8774 59.1406 32.2609 178.8199 7 V 3.8873 8.6624 119.0663 66.2095 31.3763 178.0706 8 I 3.7834 7.7924 119.3359 64.4382 36.8499 178.0663 9 N 4.2327 8.3188 117.4206 56.5166 38.3630 177.0538 10 Y 4.0867 8.0677 118.0151 61.1158 38.0038 178.4112 11 L 3.8262 8.4698 120.2411 58.1467 41.6831 179.5511 12 N 4.3828 8.4837 116.5115 55.9128 38.3979 177.5244 13 K 3.8721 8.1647 121.3901 59.3990 32.3540 178.8716 14 L 3.8436 8.1954 119.6341 57.6495 41.3894 179.0761 15 L 4.0979 7.8641 120.7366 58.2690 41.9914 179.2782 16 G 3.6087 8.1816 105.6484 47.8594 0.0000 175.4194 17 N 4.3660 8.0451 118.8239 56.2667 38.4972 177.4667 18 E 4.1537 8.4203 120.2292 59.1943 29.2303 179.3136 19 L 4.2204 8.3691 120.3568 58.3164 40.5026 179.7827 20 V 3.6443 7.8305 120.1894 64.6390 31.4023 178.1258 21 A 3.8082 8.0840 121.6168 54.7696 18.1936 179.2985 22 I 3.7374 8.3003 118.6295 65.0163 37.2356 178.3790 23 N 4.3840 7.8157 115.5128 56.3595 38.3716 177.4200 24 Q 3.8297 8.3506 121.2969 59.3457 29.0975 177.8353 25 Y 4.3746 8.4474 118.2102 61.0044 37.9127 178.3426 26 F 3.8304 8.4399 121.6781 61.0646 39.5195 176.8846 27 L 3.9687 8.2257 120.0484 58.4877 41.8160 178.5117 28 H 3.8095 8.2367 115.8197 58.7593 28.6812 177.1932 29 A 4.1573 8.2910 122.8208 55.7752 18.1128 179.9513 30 R 3.8678 7.8085 115.3287 58.6158 30.0498 179.2837 31 M 3.4172 7.7538 119.2536 58.1677 31.8159 178.3107 32 F 4.5666 7.4929 118.1851 60.7734 39.1313 177.7975 33 K 3.9381 8.1042 118.9347 59.4818 31.8002 178.2265 34 N 4.2718 7.9621 116.2770 56.6057 38.9869 176.4042 35 W 4.7499 7.9817 117.6769 57.6764 29.5175 177.2545 36 G 3.9927 8.4316 108.2607 45.9145 0.0000 174.1306 37 L 4.6483 8.1985 121.8783 52.9157 38.3109 177.2224 38 K 3.8145 7.9494 122.7202 60.0294 32.5057 177.3326 39 R 3.9696 8.1457 118.5564 59.1771 30.0544 178.4355 40 L 4.1066 7.7670 118.4348 57.3976 41.5807 178.7835 41 N 4.5329 8.1896 116.9804 56.7515 38.9398 176.5483 42 D 4.3059 8.1299 120.2513 57.4446 40.9781 179.1366 43 V 3.3468 7.6822 118.4168 66.1131 31.4542 178.0061 44 E 3.7959 8.2643 118.3080 59.1560 29.2536 178.7125 45 Y 3.8689 8.1046 119.7849 61.1414 38.9953 178.0624 46 H 4.1346 8.1594 116.7068 58.5453 28.6931 177.6139 47 E 3.6495 7.7306 120.7484 58.6724 29.1442 178.8396 48 S 4.1539 7.8944 113.4954 61.6283 62.4443 176.3239 49 I 3.5605 7.3763 122.2691 64.2222 36.8646 177.8493 50 D 4.1706 7.7260 118.6321 57.5643 41.0400 178.3795 51 E 4.2821 8.1160 120.0809 58.8771 29.2848 179.3170 52 M 4.0528 7.9432 119.1516 58.2960 32.0077 178.7299 53 K 3.8950 7.9655 118.6226 59.7826 32.1738 179.1370 54 H 4.0794 8.0441 115.8555 58.7135 28.5915 177.5812 55 A 4.2067 8.2598 122.7553 55.2937 18.1372 178.9378 56 D 4.3065 8.3466 116.7047 57.8174 41.2751 178.8964 57 R 3.8651 7.8237 118.2821 59.3762 30.0013 178.6567 58 Y 4.3585 7.8361 116.4987 61.2466 37.8983 178.7597 59 I 3.7827 8.2783 121.0462 64.6243 37.2716 178.4556 60 E 4.0733 8.5461 119.6074 59.1490 29.1326 179.5054 61 R 4.0656 8.0177 118.9023 59.4994 30.2694 178.3569 62 I 3.7651 8.4830 119.9680 64.6209 37.1226 178.4310 63 L 4.0718 8.0855 119.6811 57.7029 41.2374 179.2997 64 F 4.3821 8.1342 119.6716 61.2161 39.6680 176.4389 65 L 4.3013 8.2030 117.8196 53.8087 41.2151 177.1134 66 E 3.8611 7.9877 117.5893 57.4390 27.0839 174.4449 67 G 3.9600 8.2953 108.4548 44.0043 0.0000 173.6623 68 L 4.5341 8.0135 119.0340 52.0052 42.0590 175.1522 69 P 4.4032 0.0000 0.0000 62.5200 31.7870 176.0179 70 N 4.7197 9.4005 122.1296 52.4165 38.7664 173.9456 71 L 4.6245 8.3270 124.1782 54.5620 42.5121 177.4987 72 Q 4.1310 8.4686 121.7830 58.2655 29.3556 175.9629 73 D 4.6501 8.0415 116.8061 53.0594 41.8514 175.3292 74 L 4.5825 8.2792 125.1558 52.7439 44.1763 176.3436 75 G 3.8000 8.5069 115.1710 44.5949 0.0000 172.1704 76 K 4.0178 8.3150 120.6620 56.0771 32.3047 176.4090 77 L 4.1349 8.3283 126.7308 54.4283 42.3252 176.2156 78 N 4.8215 8.8799 120.4644 52.0544 40.4459 174.2809 79 I 3.8843 8.5521 126.7406 64.1149 37.7677 178.1261 80 G 4.1663 8.2831 102.3043 45.9472 0.0000 172.5942 81 E 4.7441 8.7029 116.5855 55.7718 31.7832 176.2060 82 D 5.0432 7.7182 117.6600 50.3299 44.0546 176.1433 83 V 4.0269 8.4897 118.6706 66.6110 31.3595 177.2691 84 E 3.8323 8.2434 117.9780 59.5477 29.4542 178.1617 85 E 4.0004 8.6313 119.2636 59.6674 29.6714 178.7618 86 M 4.2525 8.4893 117.2773 58.2099 31.3976 178.6097 87 L 4.1572 8.6946 120.4613 57.6903 41.7654 179.4120 88 R 3.9151 8.5998 119.0699 59.4066 30.0650 178.5687 89 S 4.1158 8.1399 113.1569 61.3294 62.4010 175.8193 90 D 4.2631 8.1922 121.6681 57.1369 40.5327 178.4513 91 L 4.0162 8.2396 120.6435 58.2625 42.1363 178.8270 92 A 4.0065 8.2376 120.8010 55.1271 18.2512 179.4149 93 L 3.9111 7.8959 118.5502 58.3127 42.1368 179.0604 94 E 4.0668 8.3912 118.5856 59.4075 29.5521 179.2645 95 L 4.0405 8.1606 119.0709 58.0994 41.7567 179.4414 96 D 4.5290 8.4367 118.9292 57.1931 40.6354 179.0981 97 G 3.6391 8.3255 106.2891 47.5538 0.0000 175.6992 98 A 4.0224 8.5075 123.5894 54.6909 18.4086 179.5127 99 K 3.8411 7.9543 117.7173 59.9542 32.2546 178.6183 100 N 4.3696 8.0958 116.4822 56.4420 38.3862 177.4256 101 L 3.9748 8.2340 120.3968 57.8491 41.6103 179.6740 102 R 3.8903 8.3331 118.4145 59.1431 30.1101 178.7952 103 E 3.8136 8.1134 118.6011 59.2854 29.6689 178.5186 104 A 2.7638 7.8126 121.0203 54.9200 18.4228 179.6142 105 I 3.7047 7.9176 118.3805 64.5346 37.0558 178.9539 106 G 3.5982 7.8251 106.3876 47.8635 0.0000 175.2176 107 Y 4.0460 8.1113 122.6275 59.7121 38.8554 177.3965 108 A 3.8341 8.2598 122.1183 55.3242 18.5458 179.0874 109 D 4.1050 7.9185 116.2546 57.3431 41.3642 178.4732 110 S 4.1356 7.4964 114.4002 60.2045 62.9887 175.7286 111 V 4.0353 6.7642 114.1284 60.7222 31.4521 175.8557 112 H 2.8066 6.9503 113.7654 56.6674 27.0233 176.4435 113 D 4.5360 7.3780 121.2329 53.4405 37.6931 176.2695 114 Y 4.3345 7.4151 121.3809 60.5929 38.3904 178.2779 115 V 3.7573 7.8480 119.9594 64.7330 31.8236 178.2912 116 S 4.1632 8.4095 115.9231 61.4499 62.6062 176.7074 117 R 3.8865 8.1525 121.1428 59.4857 29.9404 178.0708 118 D 4.3058 8.2924 117.7903 57.5723 41.3840 177.7992 119 M 4.0183 8.3292 118.9340 59.0425 32.1554 178.1446 120 M 4.1754 8.2758 118.9092 58.3931 32.1100 178.8546 121 I 3.7319 8.1289 120.3792 64.3063 37.2580 178.2866 122 E 3.9768 8.0666 119.0152 59.4004 29.2950 179.4523 123 I 3.4820 7.5775 119.4532 64.2632 37.1724 178.1751 124 L 3.9709 8.1236 121.3047 58.1595 41.9846 178.9483 125 R 3.9418 8.0853 118.6295 59.6236 30.0099 178.3023 126 D 4.3642 8.0226 118.6416 57.1697 40.7535 178.7030 127 E 3.9242 8.1883 119.2852 59.3493 29.4779 178.6724 128 E 4.1354 8.7564 119.9395 59.2943 29.5607 179.1467 129 G 3.6583 7.9384 105.2605 48.2309 0.0000 175.3649 130 H 4.4363 8.0634 119.0303 58.5971 28.7002 177.7850 131 I 3.8142 8.4060 122.0363 64.5476 37.0021 177.7476 132 D 4.3725 8.4301 118.8022 57.1782 41.0145 178.1980 133 W 4.1222 8.3476 128.6232 60.5122 30.7590 177.7837 134 L 3.7981 8.5877 119.2607 57.9153 41.0890 179.3957 135 E 3.9181 8.3612 118.4096 59.7000 29.3106 179.6297 136 T 3.7690 7.8418 115.5732 66.5446 68.5368 176.4498 137 E 3.7292 7.6643 120.4128 59.4884 29.2092 179.4588 138 L 3.7855 7.7447 118.7840 57.9468 41.6141 179.4672 139 D 4.3886 8.1884 118.8285 57.1204 40.6282 178.7397 140 L 3.9864 8.0077 119.9262 57.7261 41.7145 179.4757 141 I 3.3845 7.3880 119.7144 64.4901 36.7428 178.5455 142 Q 3.9768 7.3495 116.2575 58.7749 28.5970 178.5550 143 K 4.1434 7.9876 119.0552 58.8297 32.2950 178.4230 144 M 4.3948 8.3467 114.7837 53.9778 32.4655 177.3219 145 G 4.1012 7.4836 104.8602 45.9388 0.0000 174.4507 146 L 3.9359 8.4070 121.1045 58.0578 42.1739 179.1743 147 Q 4.0056 8.1063 117.4563 59.4034 28.8040 178.7859 148 N 4.3754 8.1679 116.6575 56.3758 38.3497 176.7547 149 Y 4.0023 7.8037 120.2707 60.5691 39.1723 177.7067 150 L 4.0662 8.3264 120.2217 57.9460 41.6531 179.2058 151 Q 3.9817 8.1270 119.1714 59.0923 28.7159 177.7167 152 A 4.1895 7.4966 118.7227 53.2823 18.8299 178.1754 153 Q 4.2943 7.9901 116.4166 55.7295 29.2470 177.5987 154 I 4.0252 7.3083 120.9440 62.7124 37.4659 176.5136 155 R 4.6709 7.5582 118.0265 53.7819 32.2535 175.5985 156 E 4.1259 8.4652 119.7804 55.8882 30.5276 175.8673 157 E 4.0418 8.5492 122.4000 55.4952 30.3873 176.6106 *158 G 3.7325 8.6135 114.2001 45.8889 0.0000 172.1502 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 4.15 0.00 1.48 1.73 0.00 0.00 0.00 0.00 0.00 -0.24 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 8.47 3.95 0.00 1.84 1.68 0.00 1.80 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 1.37 1.47 7.81 3 G 8.73 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 4 D 8.48 4.56 0.00 2.78 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 8.92 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 8.16 3.81 0.00 1.70 1.96 0.00 1.45 0.00 0.00 1.11 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.56 0.96 7.81 7 V 8.66 3.89 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 1.07 0.00 0.00 1.19 0.00 0.00 8 I 7.79 3.78 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 0.68 0.91 0.00 0.00 9 N 8.32 4.23 0.00 2.63 2.64 0.00 0.00 7.05 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.07 4.09 0.00 3.20 2.89 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 0.00 0.00 0.00 0.00 11 L 8.47 3.83 0.00 1.99 1.76 1.06 0.84 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 8.48 4.38 0.00 2.88 2.82 0.00 0.00 6.69 8.18 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 13 K 8.16 3.87 0.00 1.75 1.96 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.20 3.84 0.00 0.93 1.26 0.91 0.52 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 4.10 0.00 1.72 1.85 1.04 1.01 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 3.61 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 8.05 4.37 0.00 3.00 2.92 0.00 0.00 7.04 7.81 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 18 E 8.42 4.15 0.00 2.26 2.27 0.00 0.00 0.00 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 2.84 0.00 19 L 8.37 4.22 0.00 1.88 1.96 0.95 1.13 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 7.83 3.64 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 0.97 0.00 0.00 0.96 0.00 0.00 21 A 8.08 3.81 1.49 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 0.00 0.00 22 I 8.30 3.74 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 1.60 0.71 0.90 0.00 0.00 23 N 7.82 4.38 0.00 2.93 2.86 0.00 0.00 6.76 7.81 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 24 Q 8.35 3.83 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 25 Y 8.45 4.37 0.00 3.16 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 26 F 8.44 3.83 0.00 3.43 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 27 L 8.23 3.97 0.00 1.94 1.58 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.24 3.81 0.00 3.56 3.29 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 8.29 4.16 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 30 R 7.81 3.87 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.67 0.00 31 M 7.75 3.42 0.00 0.89 1.60 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 32 F 7.49 4.57 0.00 3.29 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.94 0.00 2.04 1.91 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.96 4.27 0.00 2.68 2.67 0.00 0.00 7.33 8.80 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 35 W 7.98 4.75 0.00 3.74 3.18 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 36 G 8.43 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 8.20 4.65 0.00 2.22 1.70 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.81 0.00 1.99 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.15 3.97 0.00 2.05 2.00 0.00 3.46 0.00 0.00 3.23 7.57 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 7.77 4.11 0.00 1.71 1.08 1.07 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.19 4.53 0.00 3.13 3.02 0.00 0.00 7.13 8.00 0.00 0.00 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 8.13 4.31 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.68 3.35 1.74 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 -0.56 0.00 0.00 0.74 0.00 0.00 44 E 8.26 3.80 0.00 2.29 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 2.47 3.01 0.00 45 Y 8.10 3.87 0.00 2.94 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 8.16 4.13 0.00 3.24 3.22 0.00 5.66 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 7.73 3.65 0.00 1.27 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 1.81 0.00 48 S 7.89 4.15 0.00 3.96 3.90 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 49 I 7.38 3.56 1.83 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 0.92 0.49 0.84 0.00 0.00 50 D 7.73 4.17 0.00 2.91 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 51 E 8.12 4.28 0.00 2.13 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 2.73 2.67 0.00 52 M 7.94 4.05 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 53 K 7.97 3.89 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.04 4.08 0.00 3.53 3.26 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 8.26 4.21 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 8.35 4.31 0.00 2.89 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 7.82 3.87 0.00 1.80 1.80 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 58 Y 7.84 4.36 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 2.06 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 0.73 0.95 0.00 0.00 60 E 8.55 4.07 0.00 2.02 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 2.46 0.00 61 R 8.02 4.07 0.00 2.14 2.21 0.00 3.36 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 8.48 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 0.64 0.96 0.00 0.00 63 L 8.09 4.07 0.00 2.11 1.79 0.95 1.07 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 64 F 8.13 4.38 0.00 2.98 3.33 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 65 L 8.20 4.30 0.00 1.84 1.63 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.86 0.00 2.07 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 2.16 2.27 0.00 67 G 8.30 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 68 L 8.01 4.53 0.00 1.60 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.06 2.02 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 2.11 0.00 70 N 9.40 4.72 0.00 2.59 2.78 0.00 0.00 7.08 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.33 4.62 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 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.47 4.13 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 73 D 8.04 4.65 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.28 4.58 0.00 1.52 1.50 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.51 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 8.32 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.56 0.95 0.97 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 8.88 4.82 0.00 2.62 2.69 0.00 0.00 7.19 7.42 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 79 I 8.55 3.88 1.89 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 1.34 0.93 0.93 0.00 0.00 80 G 8.28 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.70 4.74 0.00 2.00 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 2.27 2.31 0.00 82 D 7.72 5.04 0.00 2.81 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 83 V 8.49 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 1.01 0.00 0.00 1.25 0.00 0.00 84 E 8.24 3.83 0.00 2.03 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 0.00 2.33 2.28 0.00 85 E 8.63 4.00 0.00 2.39 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 2.35 2.36 0.00 86 M 8.49 4.25 0.00 2.29 1.77 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.06 0.00 87 L 8.69 4.16 0.00 2.03 1.78 1.25 0.70 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 88 R 8.60 3.92 0.00 2.09 1.95 0.00 3.09 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 1.63 1.63 0.00 89 S 8.14 4.12 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 8.19 4.26 0.00 3.14 2.80 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 91 L 8.24 4.02 0.00 1.83 1.90 0.98 0.84 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 8.24 4.01 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 7.90 3.91 0.00 1.91 1.81 0.91 0.76 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 94 E 8.39 4.07 0.00 2.27 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 2.62 2.72 0.00 95 L 8.16 4.04 0.00 2.04 1.75 0.96 1.00 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 8.44 4.53 0.00 2.71 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 8.33 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.51 4.02 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 99 K 7.95 3.84 0.00 2.08 2.00 0.00 1.67 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 1.51 7.81 100 N 8.10 4.37 0.00 3.01 2.91 0.00 0.00 7.13 6.73 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 0.00 101 L 8.23 3.97 0.00 1.98 1.73 0.98 1.26 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 8.33 3.89 0.00 1.96 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 1.89 0.00 103 E 8.11 3.81 0.00 2.08 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 2.29 2.38 0.00 104 A 7.81 2.76 1.03 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 0.00 0.00 0.00 0.00 0.00 105 I 7.92 3.70 2.03 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 1.18 0.91 0.00 0.00 106 G 7.83 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.05 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 8.26 3.83 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 7.92 4.10 0.00 2.88 2.80 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 0.00 110 S 7.50 4.14 0.00 3.93 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 0.00 111 V 6.76 4.04 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 0.65 0.00 0.00 112 H 6.95 2.81 0.00 3.18 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.54 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 4.33 0.00 3.11 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 0.00 115 V 7.85 3.76 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 0.96 0.00 0.00 0.98 0.00 0.00 116 S 8.41 4.16 0.00 4.19 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 8.15 3.89 0.00 1.91 2.21 0.00 3.31 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 1.69 1.67 0.00 118 D 8.29 4.31 0.00 3.02 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 8.33 4.02 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 120 M 8.28 4.18 0.00 2.16 2.26 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 2.93 2.82 0.00 121 I 8.13 3.73 1.88 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 1.02 0.92 0.00 0.00 122 E 8.07 3.98 0.00 1.97 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 2.47 2.48 0.00 123 I 7.58 3.48 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 1.00 0.79 0.77 0.00 0.00 124 L 8.12 3.97 0.00 1.84 1.85 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.09 3.94 0.00 2.01 2.11 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 1.62 1.68 0.00 126 D 8.02 4.36 0.00 2.93 2.80 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 0.00 127 E 8.19 3.92 0.00 2.15 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 2.62 2.51 0.00 128 E 8.76 4.14 0.00 2.26 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 2.37 0.00 129 G 7.94 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 0.00 130 H 8.06 4.44 0.00 3.52 3.54 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 8.41 3.81 2.12 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 1.51 0.84 0.97 0.00 0.00 132 D 8.43 4.37 0.00 2.96 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 8.35 4.12 0.00 3.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.80 0.00 1.97 1.77 1.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.36 3.92 0.00 2.20 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 2.50 0.00 136 T 7.84 3.77 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 1.16 0.00 0.00 137 E 7.66 3.73 0.00 1.55 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 7.74 3.79 0.00 1.72 1.62 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.19 4.39 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 8.01 3.99 0.00 1.85 1.84 0.96 1.07 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 0.00 141 I 7.39 3.38 1.69 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 -0.16 0.03 0.70 0.00 0.00 142 Q 7.35 3.98 0.00 2.01 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 2.47 2.49 0.00 143 K 7.99 4.14 0.00 1.72 1.86 0.00 1.67 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 1.64 7.81 144 M 8.35 4.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 145 G 7.48 4.10 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 0.00 0.00 0.00 146 L 8.41 3.94 0.00 1.74 1.66 0.94 0.85 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 8.11 4.01 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.17 4.38 0.00 2.98 2.89 0.00 0.00 6.67 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 7.80 4.00 0.00 3.03 3.18 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 0.00 150 L 8.33 4.07 0.00 2.04 1.70 1.06 1.07 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 8.13 3.98 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.50 4.19 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 7.99 4.29 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.75 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 154 I 7.31 4.03 2.00 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 1.32 0.87 0.91 0.00 0.00 155 R 7.56 4.67 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.47 4.13 0.00 2.11 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 2.26 2.28 0.00 157 E 8.55 4.04 0.00 1.96 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 2.28 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.