NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1713 8.2629 120.2745 54.7227 33.1067 174.9503 2 K 4.2729 8.4810 130.6182 54.8878 32.3034 172.0741 3 G 3.9825 8.6370 113.7905 43.6923 0.0000 172.1564 4 D 4.5698 8.4385 119.5714 54.2775 41.7520 177.1573 5 T 3.8646 8.8655 122.9887 66.7875 68.4689 176.5379 6 K 3.8056 8.1497 121.0266 59.1527 32.2205 178.8792 7 V 3.9177 8.5055 118.7568 66.2295 31.4297 178.0157 8 I 3.7721 8.0014 119.5288 64.6275 36.9691 178.2046 9 N 4.2688 8.4725 117.5116 56.3220 38.1909 177.0414 10 Y 4.1475 8.1302 118.3835 61.1648 37.9899 178.6092 11 L 3.8468 8.4387 120.2055 58.0131 41.6493 179.4639 12 N 4.3444 8.4022 116.4797 56.0284 38.4593 177.4153 13 K 3.8712 8.0983 121.0942 59.3978 32.3025 178.9700 14 L 3.8282 7.9629 119.5044 57.4788 41.3861 178.9018 15 L 4.0045 7.7373 120.8589 58.3141 42.0109 179.2505 16 G 3.6319 8.1407 105.5249 47.9820 0.0000 175.2440 17 N 4.3645 8.1204 118.8219 56.1936 38.4819 177.4026 18 E 4.0932 8.2952 119.9091 59.3714 29.1921 179.3321 19 L 4.0048 8.2618 119.3733 57.7115 41.5739 179.7446 20 V 3.5702 7.7846 117.7493 66.0137 31.4252 177.9910 21 A 3.8663 8.0295 120.5050 55.0121 18.2119 179.4942 22 I 3.7679 8.1686 118.7495 64.8493 37.2214 178.4564 23 N 4.3923 7.8706 116.6313 56.2776 38.3650 177.4008 24 Q 3.8074 8.2972 121.1921 59.3479 29.1643 177.8143 25 Y 4.2981 8.2125 118.1369 61.0861 37.8877 178.4890 26 F 3.8749 8.4358 121.5288 61.1645 39.4783 176.9788 27 L 4.0007 8.2488 120.0836 58.4018 41.7996 178.4732 28 H 3.7922 8.2918 116.0099 58.6921 28.5737 177.3792 29 A 4.1352 8.3480 122.7338 55.6031 18.2245 180.0596 30 R 3.8335 7.7758 116.1051 59.1522 30.0512 179.3002 31 M 3.4915 7.9167 119.1768 58.1409 31.7756 178.6633 32 F 4.6172 7.7420 118.1069 60.4961 39.0548 177.6550 33 K 3.9654 8.3854 119.7217 59.4862 31.7835 178.2456 34 N 4.2907 7.9259 116.2776 56.5588 38.9589 176.2500 35 W 4.7752 8.0011 117.4210 57.3304 29.3967 177.2399 36 G 3.9963 8.4263 108.2520 45.7008 0.0000 174.1375 37 L 4.7466 8.0310 122.3493 52.8601 40.3911 177.3313 38 K 3.9326 7.9981 121.7909 59.5484 32.4566 178.7588 39 R 3.8997 8.2707 119.1189 59.3460 29.9520 178.6356 40 L 4.0578 7.7709 118.4574 57.4986 41.5510 178.5297 41 N 4.5389 8.3991 117.1571 56.9900 38.8865 176.6250 42 D 4.3018 8.1925 120.0326 57.3969 40.8801 179.0436 43 V 3.3128 7.6700 118.6622 65.9961 31.3973 177.9969 44 E 3.8156 8.3780 118.4765 59.1996 29.2611 178.6050 45 Y 3.8398 8.2886 120.0974 61.0212 38.8225 177.7605 46 H 3.9703 8.3077 118.9937 59.2964 29.9067 177.0465 47 E 3.4601 8.1560 120.7839 59.0160 28.9897 179.2263 48 S 4.1297 7.8788 113.3892 61.4177 62.3987 176.1538 49 I 3.5167 7.4486 122.4521 64.4842 36.8039 177.9858 50 D 4.1626 7.8250 119.5816 57.5512 40.5807 178.8875 51 E 4.1571 8.0869 118.8016 59.3052 29.3705 179.2428 52 M 4.0599 8.0953 119.1507 58.3047 32.0224 178.8168 53 K 3.9140 8.1625 118.6948 59.7205 32.1607 179.0512 54 H 4.0975 8.1854 116.1349 58.8324 28.5861 177.5207 55 A 4.2023 8.4066 122.8778 55.3278 18.1515 179.0156 56 D 4.2881 8.2805 116.4298 57.6935 41.3223 178.6437 57 R 3.8649 7.9064 118.3315 59.5773 30.0101 178.6616 58 Y 4.2906 7.9563 116.3539 61.1623 37.9055 178.6896 59 I 3.7828 8.2269 121.0184 64.6090 37.2014 178.4029 60 E 4.0454 8.4226 119.4376 59.3412 29.2737 179.4902 61 R 4.0278 8.2432 118.8091 59.4422 30.1369 178.4965 62 I 3.7865 8.2917 120.0982 64.5033 37.1504 178.4253 63 L 3.9994 8.1034 119.6949 57.6775 41.2378 179.1276 64 F 4.3497 8.2480 119.6251 61.4664 39.6297 176.5828 65 L 4.6752 7.9382 116.9949 54.0833 41.0558 177.3304 66 E 3.8270 7.8926 117.5108 57.3023 27.1551 174.6556 67 G 3.9101 8.0123 108.3704 44.2365 0.0000 173.8004 68 L 4.5565 7.9948 118.9029 51.9569 42.3231 175.2008 69 P 4.3817 0.0000 0.0000 62.5123 31.7549 176.0378 70 N 4.6778 9.2910 122.6281 52.4565 38.4240 173.9630 71 L 4.5800 8.2928 124.0931 54.5301 42.3637 177.4658 72 Q 4.1829 8.6283 121.9432 57.8363 29.4969 176.0497 73 D 4.7529 7.7059 118.0754 52.3907 39.8938 173.8816 74 L 4.0789 7.8254 122.5689 54.0968 42.9988 177.1577 75 G 3.8498 8.3633 115.3263 44.4169 0.0000 172.2956 76 K 4.0497 8.3028 120.7015 56.1162 32.5148 176.5407 77 L 4.3144 8.2516 126.0997 54.2831 42.5578 176.4400 78 N 4.8311 8.8860 119.7637 51.7397 39.4608 174.5711 79 I 3.7278 8.2704 124.6089 64.0485 37.6343 178.2713 80 G 4.1857 8.2626 102.3758 45.8318 0.0000 172.6035 81 E 4.8079 9.5498 116.4398 55.2054 31.7305 176.2788 82 D 5.0026 7.7703 117.6573 50.3056 44.0366 176.2047 83 V 4.0452 8.4205 118.8908 66.5258 31.3975 177.6161 84 E 3.8670 8.2100 118.2633 59.3472 29.5664 178.1835 85 E 3.9472 8.8804 119.6120 59.3991 29.6615 178.7475 86 M 4.0333 8.4025 118.9499 58.4771 32.0228 178.7409 87 L 4.2192 8.2945 119.2075 57.9496 41.6941 179.8322 88 R 3.9394 8.3495 118.3019 59.2154 29.9549 179.1002 89 S 4.0999 8.2260 113.0720 61.4081 62.3612 175.8791 90 D 4.2472 8.2981 121.6693 57.1926 40.5057 178.5721 91 L 4.0005 8.2756 120.6744 58.1797 42.1598 178.8096 92 A 3.9925 8.2660 120.9610 55.1139 18.2268 179.3793 93 L 3.9088 8.1027 118.7974 58.2941 42.0921 179.0240 94 E 4.0408 8.4289 118.6604 59.5234 29.4397 179.3984 95 L 4.0301 8.2273 119.1045 57.7880 41.6353 179.3091 96 D 4.4555 8.3823 119.0564 57.4139 40.7941 179.1084 97 G 3.6576 8.3991 106.1097 47.7184 0.0000 175.6211 98 A 4.0646 8.3825 123.2971 54.7495 18.4268 179.7947 99 K 3.8918 8.0529 117.0443 59.8404 32.1675 179.2927 100 N 4.3905 8.0198 116.1691 56.1887 38.3555 177.4199 101 L 3.9851 8.0779 120.3842 57.9595 41.7772 179.7185 102 R 3.8914 8.1927 118.0697 59.2484 29.9944 178.7328 103 E 3.8362 8.1009 118.5701 59.2740 29.5962 178.7635 104 A 2.8658 7.7755 120.7399 54.7504 18.4583 179.6776 105 I 3.7327 8.0336 118.8101 64.4273 37.1652 178.9117 106 G 3.6133 7.9927 106.5760 47.8812 0.0000 175.1797 107 Y 3.9438 7.9606 121.8458 60.2803 38.8087 177.5910 108 A 3.8587 8.2663 122.1410 55.2754 18.4065 178.9844 109 D 4.1192 7.8555 115.7651 57.7843 41.1027 178.7337 110 S 4.0944 7.5917 114.0817 60.9837 62.8020 176.1626 111 V 3.9117 6.9012 112.0629 60.5657 31.5286 175.7724 112 H 2.9032 7.5133 114.4295 56.9668 26.8081 176.3653 113 D 4.5465 7.4551 120.8267 53.5730 37.8959 175.9314 114 Y 4.3283 7.5493 120.8922 60.1790 38.5101 177.6948 115 V 3.6640 7.8116 119.2983 66.0040 31.8288 177.9543 116 S 4.2062 8.4267 114.9861 61.5565 62.6069 176.6934 117 R 3.8920 8.1292 121.3457 59.4577 29.9367 177.9646 118 D 4.3191 8.3637 117.9950 57.5406 41.2018 177.7609 119 M 3.9449 8.0897 118.5327 59.1970 32.1644 178.1995 120 M 4.1374 8.1124 118.6108 58.3274 32.0344 178.8770 121 I 3.7196 8.0040 120.1685 64.3266 37.3452 178.1699 122 E 3.9437 8.0717 119.2591 59.5868 29.2279 179.5553 123 I 3.5250 7.6910 119.6679 64.2118 37.0505 178.2281 124 L 3.9288 8.2665 121.5807 58.0435 41.8896 178.8484 125 R 3.8839 8.1652 118.7382 59.6027 30.0404 178.1603 126 D 4.3151 7.9836 118.3036 57.5342 40.7723 178.6937 127 E 3.9699 8.4170 119.2143 59.5284 29.3828 179.3393 128 E 4.1292 8.7340 119.1297 59.1564 29.4293 179.6467 129 G 3.6583 8.1205 106.0226 48.1635 0.0000 175.5519 130 H 4.4812 8.1540 118.6456 58.6331 28.6588 177.8933 131 I 3.8187 8.2750 122.0308 64.4687 36.9356 177.7729 132 D 4.3730 8.4325 118.9485 57.2080 40.9617 178.1762 133 W 4.1231 8.3459 128.6459 60.4723 30.7596 177.9036 134 L 3.7568 8.4141 118.9205 57.8660 41.1421 179.3270 135 E 3.9384 8.4189 118.6804 59.7130 29.3911 179.6682 136 T 3.7898 7.9630 115.7009 66.5956 68.5189 176.5573 137 E 3.7816 7.8441 120.6247 59.4021 29.2389 179.4292 138 L 3.7657 7.7271 118.8251 57.8772 41.6165 179.4134 139 D 4.2938 8.0370 118.8107 57.2438 40.6441 178.7874 140 L 3.9924 7.8937 119.5845 57.6598 41.5694 179.3427 141 I 3.3926 7.4406 119.8517 64.5282 36.7739 178.2267 142 Q 3.9056 7.3194 118.8207 59.0972 28.9728 177.9816 143 K 4.1447 8.0992 118.9306 58.7046 32.2357 178.2882 144 M 4.4150 8.3630 114.9265 53.9212 32.5544 177.2408 145 G 4.1042 7.6183 105.7318 45.9650 0.0000 174.3925 146 L 3.9855 8.3314 121.4255 57.9569 42.0943 179.5419 147 Q 3.9904 8.0033 117.6190 59.0765 28.8269 178.2574 148 N 4.3396 8.1248 117.0235 56.3313 38.4025 176.5882 149 Y 3.9515 8.0151 120.0867 60.7646 39.1869 177.9836 150 L 4.0558 8.3902 120.2293 57.7896 41.4317 179.0462 151 Q 3.9222 8.0802 119.3229 59.2217 28.7180 177.8879 152 A 4.1824 7.5425 118.5656 53.2041 18.7368 178.1284 153 Q 4.3429 7.8034 116.2809 55.5930 29.5934 177.4808 154 I 4.0640 7.3075 112.7148 62.1512 38.0942 176.3966 155 R 4.6008 7.5385 119.0504 53.8369 31.8715 175.8586 156 E 4.0368 8.5894 120.7053 56.9385 29.6088 175.1087 157 E 4.2501 8.1806 119.5456 57.4755 32.1216 176.1006 *158 G 3.7389 7.7801 112.2951 45.7785 0.0000 172.1659 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 8.26 4.17 0.00 1.25 1.76 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 8.48 4.27 0.00 1.66 1.60 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.08 7.81 3 G 8.64 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 8.44 4.57 0.00 2.84 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 8.87 3.86 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 3.81 0.00 1.71 1.98 0.00 1.41 0.00 0.00 0.94 0.00 0.00 2.58 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.88 0.99 7.81 7 V 8.51 3.92 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 1.21 0.00 0.00 1.14 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 1.55 0.58 0.92 0.00 0.00 9 N 8.47 4.27 0.00 2.63 2.68 0.00 0.00 7.05 8.13 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 10 Y 8.13 4.15 0.00 3.21 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 11 L 8.44 3.85 0.00 1.85 1.82 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.40 4.34 0.00 2.91 2.82 0.00 0.00 6.67 8.39 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 13 K 8.10 3.87 0.00 1.78 1.96 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 L 7.96 3.83 0.00 0.93 1.16 0.92 0.78 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 7.74 4.00 0.00 1.69 1.83 1.06 1.12 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 8.14 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 8.12 4.36 0.00 2.96 2.91 0.00 0.00 7.06 6.94 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 18 E 8.30 4.09 0.00 2.26 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 2.75 2.86 0.00 19 L 8.26 4.00 0.00 1.81 1.72 0.92 1.12 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 7.78 3.57 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 1.09 0.00 0.00 0.96 0.00 0.00 21 A 8.03 3.87 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 8.17 3.77 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 1.61 1.13 0.91 0.00 0.00 23 N 7.87 4.39 0.00 2.94 2.85 0.00 0.00 6.73 7.56 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 24 Q 8.30 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 2.09 0.00 25 Y 8.21 4.30 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.87 0.00 3.31 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 8.25 4.00 0.00 1.84 1.71 0.88 0.91 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 28 H 8.29 3.79 0.00 3.50 3.13 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 8.35 4.14 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 30 R 7.78 3.83 0.00 1.78 1.92 0.00 3.21 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 31 M 7.92 3.49 0.00 0.87 1.52 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.19 0.00 32 F 7.74 4.62 0.00 3.25 3.22 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 0.00 0.00 0.00 33 K 8.39 3.97 0.00 2.05 1.92 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 34 N 7.93 4.29 0.00 2.69 2.71 0.00 0.00 7.32 7.51 0.00 0.00 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 8.00 4.78 0.00 3.74 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 8.43 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 8.03 4.75 0.00 2.00 1.65 1.19 0.82 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 38 K 8.00 3.93 0.00 1.88 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 39 R 8.27 3.90 0.00 2.08 2.06 0.00 3.08 0.00 0.00 3.35 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 4.06 0.00 1.46 0.90 0.45 0.71 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 41 N 8.40 4.54 0.00 3.09 3.02 0.00 0.00 7.21 8.11 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 42 D 8.19 4.30 0.00 2.85 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 43 V 7.67 3.31 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 -0.50 0.00 0.00 0.73 0.00 0.00 44 E 8.38 3.82 0.00 2.37 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 2.56 3.13 0.00 45 Y 8.29 3.84 0.00 2.92 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 46 H 8.31 3.97 0.00 3.27 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.16 3.46 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 2.06 1.75 0.00 48 S 7.88 4.13 0.00 3.97 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 49 I 7.45 3.52 1.72 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 0.94 0.17 0.79 0.00 0.00 50 D 7.83 4.16 0.00 2.77 2.59 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 51 E 8.09 4.16 0.00 2.19 2.24 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 2.73 2.82 0.00 52 M 8.10 4.06 0.00 2.02 2.20 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 2.79 2.55 0.00 53 K 8.16 3.91 0.00 1.85 1.80 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.56 7.81 54 H 8.19 4.10 0.00 3.53 3.34 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 8.41 4.20 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 8.28 4.29 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 7.91 3.86 0.00 1.83 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 7.96 4.29 0.00 3.19 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 8.23 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 1.57 1.11 0.95 0.00 0.00 60 E 8.42 4.05 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 2.58 0.00 61 R 8.24 4.03 0.00 2.08 2.17 0.00 3.35 0.00 0.00 3.25 7.56 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 8.29 3.79 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 1.59 0.64 1.00 0.00 0.00 63 L 8.10 4.00 0.00 1.92 1.77 0.96 0.84 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 8.25 4.35 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 7.94 4.68 0.00 1.88 1.63 1.00 0.58 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 7.89 3.83 0.00 2.08 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 2.15 2.24 0.00 67 G 8.01 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 0.00 0.00 0.00 68 L 7.99 4.56 0.00 1.61 1.62 0.91 1.00 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 69 P 0.00 4.38 0.00 2.06 2.02 0.00 3.67 0.00 0.00 3.79 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 9.29 4.68 0.00 2.61 2.81 0.00 0.00 7.12 7.45 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 71 L 8.29 4.58 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 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.63 4.18 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 7.17 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 7.71 4.75 0.00 2.67 2.57 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 0.00 0.00 0.00 0.00 74 L 7.83 4.08 0.00 1.57 1.56 0.91 1.11 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 75 G 8.36 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 0.00 0.00 0.00 76 K 8.30 4.05 0.00 1.70 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.51 7.81 77 L 8.25 4.31 0.00 1.65 1.54 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.89 4.83 0.00 2.58 2.68 0.00 0.00 7.18 8.66 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 79 I 8.27 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 8.26 4.19 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 0.00 81 E 9.55 4.81 0.00 1.93 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 2.30 2.26 0.00 82 D 7.77 5.00 0.00 2.85 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 83 V 8.42 4.05 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 1.25 0.00 0.00 1.25 0.00 0.00 84 E 8.21 3.87 0.00 2.00 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 2.35 2.30 0.00 85 E 8.88 3.95 0.00 2.16 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 2.35 2.38 0.00 86 M 8.40 4.03 0.00 1.70 2.39 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 87 L 8.29 4.22 0.00 1.71 1.76 0.84 1.23 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 8.35 3.94 0.00 2.04 1.99 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 89 S 8.23 4.10 0.00 4.00 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 90 D 8.30 4.25 0.00 3.07 2.78 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 0.00 0.00 0.00 0.00 91 L 8.28 4.00 0.00 1.82 1.87 0.99 0.91 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 8.27 3.99 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 8.10 3.91 0.00 1.82 1.77 0.90 0.75 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 8.43 4.04 0.00 2.29 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 2.73 0.00 95 L 8.23 4.03 0.00 1.84 1.74 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.38 4.46 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 8.40 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 8.38 4.06 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 8.05 3.89 0.00 2.05 1.89 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 1.68 7.81 100 N 8.02 4.39 0.00 2.94 2.91 0.00 0.00 7.08 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.08 3.99 0.00 1.88 1.74 0.98 0.97 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 0.00 102 R 8.19 3.89 0.00 1.99 1.98 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 1.87 0.00 103 E 8.10 3.84 0.00 2.07 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 2.27 2.37 0.00 104 A 7.78 2.87 1.06 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 0.00 0.00 105 I 8.03 3.73 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 1.47 1.08 0.92 0.00 0.00 106 G 7.99 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 0.00 107 Y 7.96 3.94 0.00 3.12 2.88 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 0.00 108 A 8.27 3.86 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 7.86 4.12 0.00 2.81 2.88 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 0.00 110 S 7.59 4.09 0.00 3.66 3.78 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 0.00 0.00 0.00 0.00 111 V 6.90 3.91 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 0.32 0.00 0.00 0.77 0.00 0.00 112 H 7.51 2.90 0.00 3.12 3.23 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.46 4.55 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.55 4.33 0.00 3.05 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 0.00 115 V 7.81 3.66 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.43 4.21 0.00 4.06 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 0.00 117 R 8.13 3.89 0.00 1.92 2.18 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 1.69 1.68 0.00 118 D 8.36 4.32 0.00 2.99 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 8.09 3.94 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 120 M 8.11 4.14 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.83 0.00 121 I 8.00 3.72 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.91 0.00 0.00 122 E 8.07 3.94 0.00 2.18 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 2.32 2.54 0.00 123 I 7.69 3.53 1.94 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.74 0.00 0.00 124 L 8.27 3.93 0.00 1.82 1.85 0.94 0.78 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 8.17 3.88 0.00 1.91 2.09 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 7.98 4.32 0.00 2.96 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 0.00 127 E 8.42 3.97 0.00 2.12 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 2.59 2.56 0.00 128 E 8.73 4.13 0.00 2.01 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 2.53 0.00 129 G 8.12 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 8.15 4.48 0.00 3.55 3.55 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 8.27 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 0.90 0.97 0.00 0.00 132 D 8.43 4.37 0.00 2.97 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 8.35 4.12 0.00 3.54 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.41 3.76 0.00 2.00 1.78 1.27 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.42 3.94 0.00 2.14 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 2.34 2.56 0.00 136 T 7.96 3.79 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 1.16 0.00 0.00 137 E 7.84 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 7.73 3.77 0.00 1.74 1.61 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.04 4.29 0.00 2.80 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 7.89 3.99 0.00 1.89 1.84 0.94 0.67 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 0.00 141 I 7.44 3.39 1.71 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 -0.10 -0.36 0.71 0.00 0.00 142 Q 7.32 3.91 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.10 4.14 0.00 1.77 1.85 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 144 M 8.36 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 2.91 0.00 145 G 7.62 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 8.33 3.99 0.00 1.74 1.67 0.94 0.71 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 8.00 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 148 N 8.12 4.34 0.00 2.93 2.88 0.00 0.00 6.72 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 8.02 3.95 0.00 3.01 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 0.00 150 L 8.39 4.06 0.00 1.70 1.69 0.88 0.83 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 8.08 3.92 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.54 4.18 1.22 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 0.00 0.00 0.00 0.00 0.00 153 Q 7.80 4.34 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 154 I 7.31 4.06 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 1.54 1.38 0.91 0.00 0.00 155 R 7.54 4.60 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 156 E 8.59 4.04 0.00 1.93 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 2.49 2.29 0.00 157 E 8.18 4.25 0.00 1.89 1.85 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 2.19 2.27 0.00 *158 G 7.78 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.