NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1630 8.1627 120.2751 54.6921 33.1232 173.9971 2 K 4.0232 8.4843 128.4660 56.1366 32.6188 175.1877 3 G 3.9888 8.8392 116.0776 44.9704 0.0000 171.8743 4 D 4.5668 8.4804 119.7021 54.3802 41.9739 177.1391 5 T 3.8732 8.8409 122.7719 66.8104 68.5737 176.7063 6 K 3.8767 8.1689 120.9517 58.9710 32.2391 178.9044 7 V 3.8989 8.3381 118.9001 66.1856 31.4327 177.8335 8 I 3.7479 7.7861 119.4634 64.6625 36.9895 178.0522 9 N 4.2327 8.1602 116.9687 56.5183 38.2634 176.9583 10 Y 4.1527 7.9525 117.9668 61.2315 38.0119 178.7989 11 L 3.9277 8.5522 120.1326 57.9775 41.6440 179.4540 12 N 4.4020 8.4638 116.6593 55.9252 38.4184 177.4852 13 K 3.8660 8.1088 121.1673 59.3951 32.3431 178.9633 14 L 3.7890 7.9886 119.5762 57.4621 41.3761 178.8851 15 L 3.9462 7.6636 120.8393 58.3422 42.0025 179.2137 16 G 3.6588 8.1530 105.4068 47.9392 0.0000 175.1702 17 N 4.3301 8.0892 118.7729 56.2304 38.5838 177.2566 18 E 4.1016 8.2581 119.7586 59.5399 29.2906 179.4826 19 L 4.0342 8.2398 119.1719 57.6336 41.6175 179.7526 20 V 3.5759 7.7704 117.7143 66.0637 31.4639 177.9349 21 A 3.8714 8.0811 120.4309 55.0471 18.1724 179.4084 22 I 3.7633 8.2471 118.7563 64.9313 37.2646 178.4020 23 N 4.3917 7.8754 116.7104 56.2904 38.2989 177.4611 24 Q 3.8101 8.2209 120.9770 59.4312 29.1132 177.6762 25 Y 4.3355 8.1138 118.0416 61.0758 37.9686 178.6220 26 F 3.8883 8.4691 121.5769 61.0393 39.5043 176.8578 27 L 3.9514 8.1758 120.0018 58.6168 41.8440 178.4872 28 H 3.7630 8.3229 115.9558 58.7724 28.5694 177.2986 29 A 4.1706 8.1974 122.5961 55.6765 18.1621 179.9136 30 R 3.8117 7.7043 115.5083 58.7701 30.1214 179.2339 31 M 3.3980 7.8077 119.1492 58.1015 31.7641 178.5037 32 F 4.5626 7.4419 117.8879 60.5394 39.1052 177.5530 33 K 3.8858 8.2806 119.2873 59.6154 31.7824 177.9552 34 N 4.2249 8.0473 116.1374 56.7786 38.9107 176.2879 35 W 4.7689 7.9639 117.2170 57.6628 29.4027 177.2548 36 G 4.0038 8.3607 108.3212 45.8133 0.0000 174.0939 37 L 4.6782 8.1669 122.3936 52.5490 38.2460 176.7961 38 K 3.8036 7.9143 123.9205 59.8920 32.5901 177.5436 39 R 3.8990 8.2201 118.7830 59.3866 29.9669 178.4902 40 L 4.1028 7.7759 118.4337 57.3799 41.6317 178.5360 41 N 4.5403 8.1990 117.0904 56.9755 38.9303 176.6489 42 D 4.3104 8.0513 120.1235 57.3462 40.9188 179.0610 43 V 3.2663 7.5149 118.2363 65.9743 31.4668 178.0241 44 E 3.9138 8.2824 118.4014 59.2750 29.3126 178.6710 45 Y 3.8949 8.1758 119.7676 60.9200 38.8526 177.5742 46 H 3.9161 8.1446 118.9826 59.3110 29.9018 176.8724 47 E 3.4070 8.1460 120.6353 59.1740 29.0584 179.2286 48 S 4.1030 7.7477 112.9830 61.5792 62.4588 176.3583 49 I 3.5426 7.3635 122.2687 64.2875 36.7797 177.9633 50 D 4.2018 7.8676 119.7496 57.6321 40.6464 178.9896 51 E 4.1758 8.0926 118.7879 59.4819 29.3418 179.2773 52 M 4.0692 8.0373 118.9026 58.3653 32.0239 178.8613 53 K 3.9104 8.0760 118.5320 59.7315 32.1982 179.1071 54 H 4.1133 8.2360 116.1344 58.8171 28.5866 177.6129 55 A 4.2589 8.5187 122.9751 55.3139 18.1708 179.0513 56 D 4.2916 8.3626 116.6184 57.6539 41.3082 178.7094 57 R 3.8590 7.9226 118.4085 59.4209 30.0569 178.6069 58 Y 4.2872 7.7639 116.3362 61.2194 37.9374 178.6833 59 I 3.7589 8.1769 120.8889 64.7332 37.2805 178.4367 60 E 4.0619 8.4347 119.3244 59.1751 29.1936 179.5360 61 R 3.9998 8.1946 118.8140 59.5541 30.2706 178.3367 62 I 3.7659 8.3452 120.0011 64.6502 37.1801 178.3836 63 L 4.0173 8.0541 119.4483 57.7714 41.2574 179.2294 64 F 4.3421 8.1897 119.3821 61.3493 39.5721 176.4449 65 L 4.5916 8.0084 117.3993 53.9804 41.2587 177.1740 66 E 3.9292 7.9831 117.6642 57.3970 26.9857 174.5881 67 G 3.9361 8.2554 108.8297 44.1277 0.0000 173.6960 68 L 4.5497 8.0102 119.0634 51.9608 42.2194 175.1025 69 P 4.3743 0.0000 0.0000 62.6198 31.7611 176.0097 70 N 4.6897 9.5220 122.2039 52.4722 38.5841 174.1199 71 L 4.6219 8.2980 124.2426 54.5387 42.5924 177.5179 72 Q 4.1008 8.5485 121.8166 58.2033 29.3113 175.8802 73 D 4.6627 8.0862 117.1800 52.8261 41.8777 175.2657 74 L 4.5662 8.3067 125.6208 52.7834 43.9930 176.4693 75 G 3.8267 8.4288 115.5605 44.6562 0.0000 171.7356 76 K 4.1224 8.3013 120.6495 55.7790 32.5794 176.6513 77 L 4.2042 8.3104 126.4387 54.3894 42.3706 176.4119 78 N 4.8295 8.6563 120.6956 51.7082 39.5515 174.4474 79 I 3.7847 8.3389 125.2913 64.0736 37.6526 178.1639 80 G 4.4195 8.2256 102.6445 45.4183 0.0000 172.7232 81 E 4.7779 8.7607 116.9050 55.5659 31.9417 176.1912 82 D 4.9821 7.7173 117.7458 50.2756 44.0063 176.1373 83 V 4.0458 8.4960 119.2113 66.6065 31.3491 177.6752 84 E 3.8645 8.1891 118.1225 59.3270 29.4398 178.1697 85 E 3.9509 8.4268 119.4037 59.4767 29.6854 178.6995 86 M 4.2202 8.3750 117.2004 58.3108 31.3486 178.5937 87 L 4.1634 8.3325 120.2241 57.7368 41.7967 179.6952 88 R 3.9664 8.3106 118.2291 59.1911 29.9316 179.1195 89 S 4.1368 8.1408 113.0452 61.3605 62.3799 175.8658 90 D 4.2054 8.1793 121.6860 57.1656 40.5292 178.4608 91 L 3.9795 8.1370 120.4555 58.2606 42.1809 178.6322 92 A 3.9908 8.3877 121.0500 55.3236 18.2772 179.3788 93 L 3.9168 7.9434 118.5616 58.2891 42.0791 179.0146 94 E 4.0725 8.4040 118.5956 59.4434 29.4212 179.3538 95 L 4.0215 8.1758 119.0391 57.9982 41.7205 179.3558 96 D 4.4901 8.2975 118.9543 57.3534 40.7683 179.1443 97 G 3.6430 8.3431 106.0676 47.6437 0.0000 175.6984 98 A 4.0669 8.4242 123.4447 54.6369 18.5085 179.4777 99 K 3.8431 8.0700 118.2406 59.9563 32.2591 178.7191 100 N 4.4096 8.1389 116.5238 56.2619 38.3462 177.3368 101 L 3.9969 8.0520 120.3279 57.9551 41.8622 179.8067 102 R 3.8916 8.1183 117.8992 59.0895 29.9795 178.7272 103 E 3.8485 8.0643 118.3856 59.2869 29.6256 178.7011 104 A 2.8071 7.7542 120.7180 54.8577 18.2215 179.6666 105 I 3.7184 8.0153 118.6938 64.3996 36.9386 178.8947 106 G 3.6004 7.6890 105.2610 47.9109 0.0000 174.8827 107 Y 4.0923 7.9153 121.7876 60.2916 38.7954 177.4376 108 A 3.8130 8.1979 122.0779 55.2824 18.3815 179.0495 109 D 4.1162 7.7667 116.4832 57.5076 41.1124 178.6914 110 S 4.0972 7.4913 113.0502 60.3452 63.1158 175.7489 111 V 3.9556 6.8168 113.3617 60.4965 31.6566 175.3835 112 H 2.7597 7.0144 114.1966 56.7861 26.7415 176.2878 113 D 4.5017 7.4313 121.6289 53.6701 38.4507 175.8745 114 Y 4.3750 7.6373 121.8529 60.0126 38.4105 177.4689 115 V 3.7264 7.8572 120.1272 64.6403 31.7880 178.3658 116 S 4.1431 8.2115 115.3783 61.3481 62.6163 176.5347 117 R 3.8779 7.9676 121.2365 59.5497 29.9418 177.9264 118 D 4.3124 8.3599 117.8574 57.5542 41.2155 177.7326 119 M 3.9536 8.1889 118.6809 59.1963 32.1993 178.2027 120 M 4.1428 8.2990 118.7142 58.3333 32.0765 178.8906 121 I 3.7446 8.1719 120.5686 64.2184 37.3173 178.2419 122 E 3.9610 8.0844 119.2381 59.5191 29.2305 179.5033 123 I 3.5163 7.6593 119.8027 64.1872 37.0429 178.2650 124 L 3.9368 8.1094 121.3183 58.0047 41.9514 178.8935 125 R 3.8863 8.0627 118.7000 59.6137 30.0297 178.2156 126 D 4.3467 8.0012 118.3611 57.4694 40.8348 178.6734 127 E 4.0129 8.3542 119.2498 59.5210 29.4341 179.3286 128 E 4.3607 8.7640 119.1481 59.0692 29.4275 179.6671 129 G 3.6521 7.9494 105.6391 48.0571 0.0000 175.5108 130 H 4.5622 8.2814 118.7964 58.7380 28.6974 177.7508 131 I 3.8168 8.4027 121.9743 64.6364 37.0264 177.8041 132 D 4.3646 8.3725 118.6620 57.1270 41.0543 178.1326 133 W 4.1279 8.3449 128.6905 60.4526 30.7914 177.8187 134 L 3.7268 8.2346 118.8160 57.9205 41.1605 179.2897 135 E 3.9268 8.3812 118.5550 59.7697 29.3411 179.7136 136 T 3.7794 7.8562 115.4615 66.5930 68.5405 176.5126 137 E 3.7581 7.5762 120.3052 59.3863 29.1692 179.4233 138 L 3.7594 7.6540 118.7796 57.9274 41.6684 179.4377 139 D 4.3711 8.0316 118.7193 57.2380 40.6910 178.7601 140 L 4.0029 8.0130 119.6580 57.7391 41.6453 179.4876 141 I 3.3831 7.3181 119.7051 64.5500 36.7632 178.5346 142 Q 3.9768 7.3439 116.1150 58.6591 28.5870 178.5921 143 K 4.1336 7.9611 119.0676 59.0715 32.3483 178.5261 144 M 4.3716 8.1694 114.2206 53.9894 32.3708 177.2154 145 G 4.1234 7.5505 105.2664 45.9883 0.0000 174.5076 146 L 3.9823 8.3565 121.0356 57.9916 42.1829 179.2191 147 Q 3.9821 8.0756 117.5060 59.2426 28.8446 178.6038 148 N 4.3394 8.1358 116.7533 56.4063 38.4160 176.5702 149 Y 3.9903 7.9516 119.7837 60.7723 39.1868 177.9650 150 L 4.0572 8.5193 120.1780 57.8691 41.2348 179.2341 151 Q 3.9509 8.1769 119.2313 59.0600 28.7582 177.7791 152 A 4.1480 7.6568 119.2626 53.5252 18.7060 178.2673 153 Q 4.2577 7.7093 116.1341 55.8129 29.2479 177.3512 154 I 4.1839 7.2408 111.6805 61.6817 38.2263 176.2396 155 R 4.6590 7.5567 119.6464 53.6872 32.3582 175.4950 156 E 4.1089 8.4954 119.8468 56.0582 30.4382 175.9411 157 E 4.0996 8.4673 122.0749 55.4537 30.7249 176.5391 *158 G 3.7277 8.5425 113.3933 45.9052 0.0000 172.4024 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 4.16 0.00 1.38 1.80 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 2 K 8.48 4.02 0.00 1.83 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.84 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 4 D 8.48 4.57 0.00 2.77 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 5 T 8.84 3.87 4.25 0.00 0.00 0.00 0.00 0.00 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 8.17 3.88 0.00 1.69 1.84 0.00 1.37 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.01 7.81 7 V 8.34 3.90 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 1.05 0.00 0.00 1.16 0.00 0.00 8 I 7.79 3.75 2.03 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 0.63 0.92 0.00 0.00 9 N 8.16 4.23 0.00 2.66 2.66 0.00 0.00 7.07 6.90 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 10 Y 7.95 4.15 0.00 3.29 2.93 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 11 L 8.55 3.93 0.00 2.05 1.79 1.12 0.85 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 12 N 8.46 4.40 0.00 2.89 2.82 0.00 0.00 6.65 8.90 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 13 K 8.11 3.87 0.00 1.85 1.97 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 7.99 3.79 0.00 0.96 1.11 0.97 0.69 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 15 L 7.66 3.95 0.00 1.67 1.82 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.15 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 8.09 4.33 0.00 2.96 2.91 0.00 0.00 7.05 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 8.26 4.10 0.00 2.26 2.28 0.00 0.00 0.00 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 8.24 4.03 0.00 1.82 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.77 3.58 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 0.95 0.00 0.00 21 A 8.08 3.87 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 22 I 8.25 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 1.61 0.90 0.91 0.00 0.00 23 N 7.88 4.39 0.00 2.90 2.86 0.00 0.00 6.76 7.54 0.00 0.00 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 8.22 3.81 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.11 4.34 0.00 3.22 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 26 F 8.47 3.89 0.00 3.42 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 27 L 8.18 3.95 0.00 1.98 1.60 0.89 0.91 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 28 H 8.32 3.76 0.00 3.48 3.20 0.00 5.71 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 8.20 4.17 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.70 3.81 0.00 1.77 1.89 0.00 3.27 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.78 0.00 31 M 7.81 3.40 0.00 0.80 1.49 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 2.41 2.16 0.00 32 F 7.44 4.56 0.00 3.30 3.23 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 33 K 8.28 3.89 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 8.05 4.22 0.00 2.66 2.68 0.00 0.00 7.36 7.54 0.00 0.00 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 7.96 4.77 0.00 3.74 3.16 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 0.00 0.00 0.00 36 G 8.36 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 8.17 4.68 0.00 2.19 1.68 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 3.80 0.00 2.01 1.82 0.00 1.60 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 1.58 1.61 7.81 39 R 8.22 3.90 0.00 2.10 2.01 0.00 3.52 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 7.78 4.10 0.00 1.67 1.04 1.06 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.20 4.54 0.00 3.12 3.02 0.00 0.00 7.18 8.48 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 42 D 8.05 4.31 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 7.51 3.27 1.64 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 -0.73 0.00 0.00 0.78 0.00 0.00 44 E 8.28 3.91 0.00 2.35 2.39 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 2.64 3.15 0.00 45 Y 8.18 3.89 0.00 2.95 3.10 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 46 H 8.14 3.92 0.00 3.33 3.37 0.00 5.85 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 47 E 8.15 3.41 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 48 S 7.75 4.10 0.00 4.05 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 7.36 3.54 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.48 0.78 0.00 0.00 50 D 7.87 4.20 0.00 2.62 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 51 E 8.09 4.18 0.00 2.19 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 2.71 2.82 0.00 52 M 8.04 4.07 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 53 K 8.08 3.91 0.00 1.88 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.65 7.81 54 H 8.24 4.11 0.00 3.55 3.46 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 8.52 4.26 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 8.36 4.29 0.00 2.91 2.84 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 0.00 0.00 0.00 0.00 57 R 7.92 3.86 0.00 1.82 1.77 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 58 Y 7.76 4.29 0.00 3.24 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 8.18 3.76 2.05 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 0.94 0.95 0.00 0.00 60 E 8.43 4.06 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 2.61 0.00 61 R 8.19 4.00 0.00 2.12 2.20 0.00 3.33 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 1.74 1.85 0.00 62 I 8.35 3.77 2.07 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 0.61 0.97 0.00 0.00 63 L 8.05 4.02 0.00 2.10 1.79 0.99 0.97 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 64 F 8.19 4.34 0.00 2.97 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.59 0.00 1.88 1.63 1.04 0.67 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 7.98 3.93 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 2.26 0.00 67 G 8.26 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 8.01 4.55 0.00 1.59 1.62 0.92 0.98 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 4.37 0.00 2.06 2.03 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 2.12 0.00 70 N 9.52 4.69 0.00 2.60 2.72 0.00 0.00 7.07 7.79 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 71 L 8.30 4.62 0.00 1.63 1.64 0.94 0.98 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 8.55 4.10 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.09 4.66 0.00 2.68 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 8.31 4.57 0.00 1.52 1.51 0.91 1.11 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 8.43 3.83 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 0.00 0.00 0.00 76 K 8.30 4.12 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.31 4.20 0.00 1.64 1.55 0.90 0.96 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 78 N 8.66 4.83 0.00 2.62 2.69 0.00 0.00 7.21 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 79 I 8.34 3.78 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.94 0.00 0.00 80 G 8.23 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.76 4.78 0.00 1.98 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 2.30 0.00 82 D 7.72 4.98 0.00 2.78 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 8.50 4.05 2.23 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 1.30 0.00 0.00 1.29 0.00 0.00 84 E 8.19 3.86 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 2.34 2.28 0.00 85 E 8.43 3.95 0.00 2.38 2.15 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 2.34 2.34 0.00 86 M 8.38 4.22 0.00 2.20 1.83 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.05 0.00 87 L 8.33 4.16 0.00 2.06 1.77 1.26 0.77 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 88 R 8.31 3.97 0.00 2.01 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 1.82 0.00 89 S 8.14 4.14 0.00 4.03 4.09 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 90 D 8.18 4.21 0.00 3.12 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.98 0.00 1.91 1.89 0.98 0.86 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 92 A 8.39 3.99 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 93 L 7.94 3.92 0.00 1.88 1.82 0.90 0.94 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 8.40 4.07 0.00 2.30 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 2.63 2.73 0.00 95 L 8.18 4.02 0.00 2.05 1.74 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 8.30 4.49 0.00 2.86 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 8.34 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 8.42 4.07 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 8.07 3.84 0.00 2.05 2.05 0.00 1.66 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 1.46 1.51 7.81 100 N 8.14 4.41 0.00 3.01 2.90 0.00 0.00 7.10 6.77 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 0.00 101 L 8.05 4.00 0.00 2.00 1.74 0.98 0.83 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 0.00 102 R 8.12 3.89 0.00 2.01 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 1.98 0.00 103 E 8.06 3.85 0.00 2.09 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 2.37 2.39 0.00 104 A 7.75 2.81 1.10 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 0.00 105 I 8.02 3.72 1.89 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 1.41 0.91 0.00 0.00 106 G 7.69 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 7.92 4.09 0.00 3.14 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 8.20 3.81 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 7.77 4.12 0.00 2.81 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 7.49 4.10 0.00 3.98 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 0.00 111 V 6.82 3.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.65 0.00 0.00 112 H 7.01 2.76 0.00 3.15 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.43 4.50 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.64 4.38 0.00 3.09 2.93 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 0.00 115 V 7.86 3.73 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 116 S 8.21 4.14 0.00 3.98 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 7.97 3.88 0.00 1.91 2.19 0.00 3.34 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 8.36 4.31 0.00 2.98 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 8.19 3.95 0.00 2.24 2.02 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 2.47 2.41 0.00 120 M 8.30 4.14 0.00 2.15 2.31 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 2.90 2.81 0.00 121 I 8.17 3.74 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 1.05 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.20 1.96 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 2.31 2.47 0.00 123 I 7.66 3.52 1.90 0.00 0.00 0.30 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 0.55 0.74 0.00 0.00 124 L 8.11 3.94 0.00 1.86 1.88 0.95 0.72 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 8.06 3.89 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.55 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 8.00 4.35 0.00 3.02 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 8.35 4.01 0.00 2.14 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 2.52 2.56 0.00 128 E 8.76 4.36 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 2.37 2.53 0.00 129 G 7.95 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 8.28 4.56 0.00 3.56 3.63 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 8.40 3.82 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.97 0.00 0.00 132 D 8.37 4.36 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.34 4.13 0.00 3.56 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 8.23 3.73 0.00 2.02 1.74 1.35 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.93 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 2.56 0.00 136 T 7.86 3.78 4.22 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 1.17 0.00 0.00 137 E 7.58 3.76 0.00 1.54 1.63 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 1.47 1.47 0.00 138 L 7.65 3.76 0.00 1.72 1.61 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.03 4.37 0.00 2.79 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 4.00 0.00 1.87 1.85 0.98 0.73 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 0.00 141 I 7.32 3.38 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.07 0.71 0.00 0.00 142 Q 7.34 3.98 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 143 K 7.96 4.13 0.00 1.79 1.86 0.00 1.75 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 1.46 1.49 7.81 144 M 8.17 4.37 0.00 2.20 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 2.69 2.88 0.00 145 G 7.55 4.12 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 0.00 0.00 0.00 146 L 8.36 3.98 0.00 1.75 1.67 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.08 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.14 4.34 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 7.95 3.99 0.00 3.02 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 8.52 4.06 0.00 2.02 1.70 1.06 0.79 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 8.18 3.95 0.00 2.11 2.23 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 7.66 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 7.71 4.26 0.00 2.06 2.00 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 2.04 2.15 0.00 154 I 7.24 4.18 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 1.50 1.43 0.97 0.00 0.00 155 R 7.56 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 156 E 8.50 4.11 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 2.26 2.27 0.00 157 E 8.47 4.10 0.00 1.95 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 2.26 2.30 0.00 *158 G 8.54 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.