NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1870 8.1627 120.2783 54.7022 33.2605 174.0000 2 K 3.9739 8.5300 128.2452 56.2642 32.7147 175.0752 3 G 4.0123 8.5968 116.0930 44.8386 0.0000 171.4227 4 D 4.6659 8.4330 119.2728 54.0586 42.0410 177.1514 5 T 3.8533 8.9342 123.0651 66.9800 68.5590 176.5349 6 K 3.8018 8.1447 120.6973 59.0799 32.1944 178.8782 7 V 3.8734 8.4831 118.8693 66.2233 31.4524 177.9735 8 I 3.7909 7.7590 119.4161 64.4783 36.9183 178.1150 9 N 4.2364 8.2957 117.2477 56.4692 38.3863 176.9824 10 Y 4.1023 7.9674 117.9269 61.1548 38.0481 178.4883 11 L 3.8580 8.5611 120.1084 58.1637 41.6864 179.5619 12 N 4.3287 8.4817 116.4815 56.0163 38.4404 177.4501 13 K 3.8639 8.0016 121.0382 59.4133 32.3285 178.8486 14 L 3.8162 8.2244 119.5737 57.6614 41.4804 179.0475 15 L 4.0198 7.8443 120.6917 58.2281 41.8870 179.2949 16 G 3.6139 8.1998 105.7229 47.8828 0.0000 175.3783 17 N 4.3747 8.0239 118.9613 56.0611 38.5298 177.2647 18 E 4.1076 8.2874 120.1873 59.3434 29.1586 179.0846 19 L 4.3378 8.0587 118.7633 57.3433 40.7785 179.4421 20 V 3.6074 7.7055 120.4964 64.7854 31.4625 177.9993 21 A 3.9012 8.0644 121.7094 54.8900 18.2247 179.3954 22 I 3.7608 8.2238 118.6108 64.9524 37.1862 178.4541 23 N 4.4177 7.8912 116.1222 56.2882 38.3163 177.4423 24 Q 3.8359 8.3327 121.2090 59.3729 29.0723 177.8172 25 Y 4.2903 8.5200 118.2599 60.9671 37.9425 178.2865 26 F 3.9065 8.4951 121.7504 61.0084 39.6035 176.9148 27 L 3.9238 8.2553 120.0661 58.5898 41.8834 178.3568 28 H 3.7953 8.2990 116.1117 58.9114 28.6670 177.3227 29 A 4.1535 8.1414 122.3204 55.4898 18.2621 179.6902 30 R 3.9260 7.6359 115.0603 58.2154 30.2281 179.1809 31 M 3.4344 7.5098 119.2904 58.1078 31.8978 178.4086 32 F 4.5999 7.4353 117.9333 60.6194 39.1398 177.6671 33 K 3.9448 8.1738 119.1279 59.4564 31.7748 178.2094 34 N 4.2786 7.7145 116.0868 56.5885 39.0041 176.3832 35 W 4.7569 7.8269 117.1144 57.4195 29.1043 177.2211 36 G 3.9842 8.3404 108.1959 46.1874 0.0000 174.2987 37 L 4.6734 7.9251 121.8434 52.7422 38.1823 177.0717 38 K 3.8177 7.9668 122.8581 60.0263 32.6270 177.3670 39 R 3.9885 8.3252 118.8010 59.0676 29.9584 178.3909 40 L 4.1319 7.8546 118.7227 57.2710 41.5042 178.8380 41 N 4.5503 8.1677 116.7203 56.8373 39.0550 176.3048 42 D 4.3728 8.0582 120.2787 57.5626 40.9569 179.2531 43 V 3.3501 7.6304 118.1979 65.8694 31.5197 177.7523 44 E 3.8391 8.3788 119.2476 59.1715 29.5124 177.9823 45 Y 3.9874 8.4377 120.1650 61.0781 38.8886 177.6989 46 H 3.9695 8.2906 118.9704 59.2439 29.8584 177.0555 47 E 3.5454 7.7522 120.4473 58.6551 29.1121 178.9100 48 S 4.0500 7.6249 113.4094 61.5321 62.4068 176.3579 49 I 3.5115 7.1772 122.1385 64.3055 36.7818 177.9575 50 D 4.1767 7.6766 119.5774 57.6088 40.6289 178.8716 51 E 4.0006 8.0866 118.7207 59.6745 29.3773 179.4639 52 M 4.0430 7.9362 118.7230 58.3174 32.0400 178.8554 53 K 3.9478 8.0594 118.6071 59.6567 32.1891 179.0364 54 H 4.0807 8.2450 116.1695 58.8040 28.6095 177.4849 55 A 4.2206 8.2259 122.5713 55.4238 18.2550 178.9116 56 D 4.3001 8.4802 116.7893 57.7120 41.2059 178.8179 57 R 3.8577 7.8882 118.1768 59.4866 30.0823 178.5190 58 Y 4.3354 7.6740 116.3075 61.2994 37.8924 178.8694 59 I 3.7666 8.1366 120.7156 64.7091 37.2827 178.4655 60 E 4.0451 8.3605 119.2448 59.1028 29.1830 179.5368 61 R 4.0438 8.1007 118.9404 59.4843 30.1937 178.3354 62 I 3.7642 8.4169 119.9619 64.6528 37.1487 178.3964 63 L 4.0222 8.1851 119.6161 57.7802 41.2212 179.3983 64 F 4.3518 8.1361 119.6628 61.1525 39.7086 176.4621 65 L 4.3444 8.2055 117.9690 53.9444 41.2057 177.1282 66 E 3.8590 8.0257 117.6669 57.4420 27.0238 174.4641 67 G 3.9567 8.1566 108.2040 44.0048 0.0000 173.6306 68 L 4.5323 8.0190 118.9960 52.0288 42.1641 175.2335 69 P 4.4247 0.0000 0.0000 62.4680 31.7846 175.8034 70 N 4.7481 9.5864 122.2149 52.3420 39.0737 173.8774 71 L 4.6471 8.2770 124.2831 54.6524 42.5666 177.9926 72 Q 4.0873 8.5653 119.8093 58.7653 28.8258 176.4483 73 D 4.6655 8.0399 116.4846 53.0120 41.9007 175.4416 74 L 4.6126 8.2549 125.1849 52.6869 44.2839 176.3334 75 G 3.7937 8.5027 114.9350 44.6934 0.0000 172.3182 76 K 4.0158 8.3123 120.6407 56.0194 32.2837 176.2566 77 L 4.0780 8.4128 127.0581 54.3718 42.2353 176.0318 78 N 4.7835 8.7940 122.1759 51.9208 39.5892 173.2619 79 I 4.3582 8.1797 126.6211 59.6098 38.7512 176.5904 80 G 4.0418 8.6123 114.0500 44.9492 0.0000 172.7784 81 E 4.6604 8.7914 116.9284 56.5099 30.9932 176.5249 82 D 4.9695 7.6616 117.6145 50.2679 44.0305 176.0173 83 V 4.0392 8.5571 119.6888 66.7323 31.3996 177.6558 84 E 3.8133 8.2012 117.9122 59.4452 29.6020 177.9715 85 E 3.9773 8.5475 119.4185 59.6743 29.5788 178.9046 86 M 4.0823 8.5452 117.2128 58.3128 31.4266 178.5069 87 L 4.1201 8.5838 120.6370 57.6250 41.8505 179.5407 88 R 3.9072 8.6668 118.8767 59.3285 30.0327 178.5724 89 S 4.1040 8.2702 113.1546 61.3717 62.3377 175.8116 90 D 4.2200 8.1507 121.6845 57.1091 40.4711 178.4209 91 L 3.9870 8.1667 120.5987 58.3573 42.1647 178.9786 92 A 3.9859 7.9707 120.4745 54.9914 18.2279 179.4257 93 L 3.9388 7.8465 118.5572 58.1774 42.0994 178.9330 94 E 4.0649 8.5656 118.9552 59.4919 29.4762 179.2764 95 L 4.0294 8.1875 119.0820 58.0340 41.7845 179.4065 96 D 4.4942 8.3601 118.8790 57.3310 40.7694 179.0765 97 G 3.6679 8.3522 106.0570 47.7129 0.0000 175.6183 98 A 4.0520 8.3664 123.5028 54.6609 18.4966 179.4836 99 K 3.8374 8.1078 118.1681 59.9799 32.2804 178.7306 100 N 4.4100 8.1101 116.3632 56.2197 38.3353 177.4481 101 L 3.9770 8.0929 120.3777 57.8283 41.7550 179.5948 102 R 3.8868 8.0950 118.0195 59.2322 30.0141 178.6566 103 E 3.8452 8.0500 118.3332 59.3728 29.6914 178.7304 104 A 2.8314 7.7551 120.6642 54.7579 18.3161 179.7090 105 I 3.7306 7.9365 118.6372 64.4645 37.0649 178.9105 106 G 3.5912 7.8605 106.1836 47.8066 0.0000 175.2093 107 Y 3.9007 7.9647 121.6749 60.3471 38.8812 177.4723 108 A 3.8174 8.3194 122.2030 55.4743 18.5131 179.1203 109 D 4.0443 7.9162 116.3952 57.2739 41.0877 178.3360 110 S 4.1637 7.3067 113.0751 60.0274 63.3008 175.6958 111 V 3.9190 6.6775 114.6192 60.7670 31.4544 175.7245 112 H 2.9692 6.8940 113.4049 56.8047 26.9982 176.4505 113 D 4.5264 7.3461 121.3385 53.3139 37.7378 176.1810 114 Y 4.3016 7.3713 121.4968 60.5704 38.3652 178.2648 115 V 3.7229 7.8683 119.9273 64.6943 31.7572 178.3336 116 S 4.1583 8.2735 115.6508 61.5115 62.6467 176.6539 117 R 3.8840 8.1060 121.1450 59.4781 29.8894 178.0848 118 D 4.2907 8.3835 118.0638 57.4697 41.2684 177.6484 119 M 3.9713 8.3179 119.0590 59.2203 32.1320 178.2042 120 M 4.1489 8.3234 118.8641 58.3729 32.1084 178.8547 121 I 3.7570 8.1236 120.3941 64.2146 37.3444 178.2932 122 E 3.9631 8.1033 119.2327 59.4791 29.3346 179.4256 123 I 3.5715 7.6330 119.7720 64.2810 37.0715 178.2341 124 L 3.9715 8.2012 121.5544 58.1315 42.0081 178.9370 125 R 3.9025 8.1038 118.6749 59.5498 29.9659 178.2737 126 D 4.3484 7.9340 118.2840 57.2382 40.8009 178.6555 127 E 3.9138 8.1788 119.1044 59.4151 29.4597 178.6700 128 E 4.0999 8.5976 119.9187 59.4440 29.5176 179.2130 129 G 3.6512 7.9165 104.9598 48.2371 0.0000 175.3082 130 H 4.4347 8.1154 119.1225 58.5956 28.6586 177.8798 131 I 3.8205 8.4359 121.9055 64.5733 37.0088 177.7568 132 D 4.3780 8.4240 118.9477 57.1829 40.9366 178.1442 133 W 4.1214 8.5437 128.6148 60.5148 30.7382 177.5352 134 L 3.6897 8.2740 118.8377 58.0894 41.1964 179.4333 135 E 3.9016 8.3874 118.2312 59.8342 29.3292 179.7633 136 T 3.8055 7.7954 115.4932 66.5505 68.5088 176.5857 137 E 3.7706 7.7198 120.4601 59.3911 29.0152 179.4189 138 L 3.7592 7.8036 118.9948 57.9502 41.5945 179.4464 139 D 4.3130 8.1099 118.7117 57.2113 40.6162 178.8231 140 L 3.9798 8.0201 119.8675 57.6917 41.5845 179.4772 141 I 3.3766 7.5038 119.8616 64.3590 36.7283 178.2870 142 Q 3.9205 7.4071 118.7360 58.9042 28.9403 178.0330 143 K 4.1264 8.0316 119.1618 59.1249 32.3187 178.4686 144 M 4.3847 8.2877 114.3969 54.1649 32.3926 177.3262 145 G 4.0724 7.5724 105.1974 45.8083 0.0000 174.4261 146 L 3.9913 8.3480 120.6598 57.9486 42.1088 179.2121 147 Q 3.9978 8.0317 117.5180 59.2549 28.7953 178.5406 148 N 4.3376 8.1369 116.8698 56.2839 38.3881 176.5938 149 Y 3.9856 7.8520 120.1070 60.6911 39.1028 178.0312 150 L 4.0726 8.3365 120.0762 57.9652 41.6591 179.1846 151 Q 3.9046 8.2326 119.2386 59.1820 28.7076 177.9169 152 A 4.1467 7.7380 119.5018 53.5196 18.6315 178.2175 153 Q 4.3329 7.8635 116.1299 55.6075 29.2073 177.5204 154 I 3.9426 7.4420 121.1683 62.5881 37.4414 176.3390 155 R 4.5939 7.5417 119.7061 53.6499 32.1961 174.7856 156 E 4.0516 8.6318 123.4472 56.0245 30.3058 175.9860 157 E 3.9513 8.5980 123.5061 55.7503 30.3690 176.6010 *158 G 3.7300 8.6108 114.1427 45.8907 0.0000 172.1956 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 1.85 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.53 3.97 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.60 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 2.62 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 8.93 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 3.80 0.00 1.67 1.73 0.00 1.42 0.00 0.00 1.06 0.00 0.00 2.31 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.82 1.02 7.81 7 V 8.48 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 1.17 0.00 0.00 1.23 0.00 0.00 8 I 7.76 3.79 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.91 0.00 0.00 9 N 8.30 4.24 0.00 2.72 2.58 0.00 0.00 7.02 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.97 4.10 0.00 3.31 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 3.86 0.00 2.00 1.78 1.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.48 4.33 0.00 2.87 2.81 0.00 0.00 6.70 8.03 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 13 K 8.00 3.86 0.00 1.77 1.96 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 8.22 3.82 0.00 1.07 1.16 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.84 4.02 0.00 1.67 1.85 1.07 1.15 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 8.20 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 8.02 4.37 0.00 2.98 2.92 0.00 0.00 7.05 7.72 0.00 0.00 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 8.29 4.11 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.85 0.00 19 L 8.06 4.34 0.00 1.90 1.94 0.94 0.95 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 3.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 21 A 8.06 3.90 1.57 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 0.00 0.00 22 I 8.22 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 0.89 0.00 0.00 23 N 7.89 4.42 0.00 2.92 2.87 0.00 0.00 6.72 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.33 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 4.29 0.00 3.25 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 26 F 8.50 3.91 0.00 3.45 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.26 3.92 0.00 1.94 1.58 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.30 3.80 0.00 3.44 3.23 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 8.14 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.64 3.93 0.00 1.72 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 1.26 1.55 0.00 31 M 7.51 3.43 0.00 0.94 1.56 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 F 7.44 4.60 0.00 3.33 3.09 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 0.00 0.00 0.00 33 K 8.17 3.94 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.71 4.28 0.00 2.71 2.68 0.00 0.00 7.32 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 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 7.93 4.67 0.00 2.15 1.66 1.09 0.96 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 1.84 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 1.59 7.81 39 R 8.33 3.99 0.00 2.09 1.99 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 7.85 4.13 0.00 1.73 1.09 1.10 -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 0.00 0.00 0.00 0.00 41 N 8.17 4.55 0.00 3.15 3.01 0.00 0.00 7.22 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.06 4.37 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.63 3.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.69 0.00 0.00 44 E 8.38 3.84 0.00 2.55 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 8.44 3.99 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 8.29 3.97 0.00 3.26 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.75 3.55 0.00 1.17 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 1.94 2.08 0.00 48 S 7.62 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 7.18 3.51 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.59 0.78 0.00 0.00 50 D 7.68 4.18 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.09 4.00 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 7.94 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 1.99 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 8.06 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 8.23 4.22 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 8.48 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 7.89 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 7.67 4.34 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 1.57 0.79 0.95 0.00 0.00 60 E 8.36 4.05 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 61 R 8.10 4.04 0.00 2.11 2.23 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 8.42 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 0.98 0.00 0.00 63 L 8.19 4.02 0.00 2.10 1.80 0.95 0.91 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 8.14 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 1.81 1.62 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.03 3.86 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 8.16 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 8.02 4.53 0.00 1.62 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.59 4.75 0.00 2.59 2.81 0.00 0.00 7.10 8.21 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 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.57 4.09 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.04 4.67 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 8.25 4.61 0.00 1.52 1.50 0.92 1.10 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 75 G 8.50 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.41 4.08 0.00 1.64 1.56 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.79 4.78 0.00 2.63 2.71 0.00 0.00 7.16 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 79 I 8.18 4.36 1.88 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 4.04 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 1.07 0.00 0.00 1.24 0.00 0.00 84 E 8.20 3.81 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 8.55 3.98 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 8.55 4.08 0.00 2.17 1.74 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.96 0.00 87 L 8.58 4.12 0.00 1.99 1.77 1.29 0.80 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 8.27 4.10 0.00 4.06 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 8.15 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 8.17 3.99 0.00 1.81 1.87 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.97 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.85 3.94 0.00 1.86 1.82 0.91 0.79 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 8.57 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 8.19 4.03 0.00 2.02 1.75 0.96 1.37 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 8.36 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 8.35 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 98 A 8.37 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.11 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 8.11 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.58 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 0.00 101 L 8.09 3.98 0.00 1.98 1.73 0.98 0.87 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 8.09 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 8.05 3.85 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 2.40 2.40 0.00 104 A 7.76 2.83 1.01 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 0.00 105 I 7.94 3.73 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 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 7.96 3.90 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 8.32 3.82 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 7.92 4.04 0.00 2.75 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 7.31 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 6.68 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 0.50 0.00 0.00 0.64 0.00 0.00 112 H 6.89 2.97 0.00 3.21 3.34 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 2.47 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 7.37 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 3.72 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 1.05 0.00 0.00 0.97 0.00 0.00 116 S 8.27 4.16 0.00 4.15 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 2.17 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 8.38 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 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 120 M 8.32 4.15 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.79 0.00 121 I 8.12 3.76 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 1.05 0.92 0.00 0.00 122 E 8.10 3.96 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 123 I 7.63 3.57 1.94 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 1.10 0.80 0.70 0.00 0.00 124 L 8.20 3.97 0.00 1.84 1.83 0.99 0.75 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 8.10 3.90 0.00 2.06 2.12 0.00 3.15 0.00 0.00 3.17 7.57 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 7.93 4.35 0.00 3.03 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.18 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 8.60 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 7.92 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 8.12 4.43 0.00 3.64 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 3.82 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 0.88 0.97 0.00 0.00 132 D 8.42 4.38 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.54 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 8.27 3.69 0.00 2.01 1.75 1.24 1.19 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 4.20 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 1.18 0.00 0.00 137 E 7.72 3.77 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 7.80 3.76 0.00 1.76 1.61 0.88 1.19 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 8.11 4.31 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 1.05 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 0.00 141 I 7.50 3.38 1.70 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.69 0.00 0.00 142 Q 7.41 3.92 0.00 1.98 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 8.03 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 8.29 4.38 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.37 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 7.57 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.35 3.99 0.00 1.74 1.66 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.03 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.14 4.34 0.00 2.96 2.88 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 7.85 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 8.34 4.07 0.00 2.07 1.70 1.05 0.85 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 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.74 4.15 1.21 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 0.00 0.00 153 Q 7.86 4.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 154 I 7.44 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 8.63 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 3.95 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.