NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1465 8.1627 120.2750 54.7637 33.2353 173.9052 2 K 3.9546 8.4680 128.1256 56.0010 32.6116 175.1412 3 G 3.9799 8.7143 116.1286 45.0045 0.0000 171.5209 4 D 4.5735 8.4798 119.6049 54.3193 41.8587 177.0078 5 T 3.8669 8.9091 122.9480 66.9014 68.5052 176.5759 6 K 3.8052 8.1590 120.8730 59.1439 32.2606 178.8282 7 V 3.8936 8.6485 119.0627 66.1939 31.3767 178.0734 8 I 3.7812 7.7872 119.3210 64.4495 36.8662 178.0547 9 N 4.2253 8.3242 117.4374 56.5181 38.3564 177.0555 10 Y 4.0597 8.0577 118.0049 61.0888 38.0367 178.3875 11 L 3.8207 8.4891 120.2224 58.1565 41.6836 179.5575 12 N 4.4143 8.4485 116.4546 55.9126 38.4104 177.5309 13 K 3.8689 8.1292 121.3125 59.4047 32.3580 178.8498 14 L 3.8481 8.2015 119.6128 57.6685 41.3876 179.0767 15 L 4.0901 7.9279 120.6468 58.2778 41.9460 179.2673 16 G 3.6144 8.2116 105.6908 47.8769 0.0000 175.3876 17 N 4.3605 8.0856 118.8157 56.2677 38.3613 177.4579 18 E 4.1526 8.4329 120.2236 59.1852 29.1916 179.2983 19 L 4.2163 8.3816 120.3625 58.2991 40.5076 179.7822 20 V 3.6381 7.8500 120.3032 64.6492 31.4097 178.1043 21 A 3.8157 8.0995 121.6203 54.7805 18.1863 179.3335 22 I 3.7408 8.2708 118.6304 65.0086 37.2604 178.4049 23 N 4.3973 7.8214 115.6126 56.3410 38.3496 177.4352 24 Q 3.8385 8.3845 121.3504 59.3122 29.0921 177.7907 25 Y 4.3659 8.4416 118.2100 60.9917 37.9099 178.3501 26 F 3.8141 8.4344 121.6372 61.0970 39.5071 176.8639 27 L 3.9673 8.1874 119.9796 58.4870 41.8248 178.4776 28 H 3.7945 8.2502 115.8446 58.7785 28.6741 177.1662 29 A 4.1497 8.2822 122.8117 55.7925 18.0998 179.9418 30 R 3.8686 7.8002 115.3468 58.6207 30.0619 179.2857 31 M 3.4168 7.8089 119.3227 58.1756 31.8259 178.3413 32 F 4.5801 7.5043 118.2109 60.7412 39.1241 177.7750 33 K 3.9375 8.1189 118.9689 59.4933 31.8070 178.2221 34 N 4.2709 7.9931 116.2835 56.6192 38.9867 176.4160 35 W 4.7504 8.0107 117.7364 57.7199 29.5967 177.2653 36 G 3.9962 8.4455 108.2572 45.8721 0.0000 174.0912 37 L 4.6415 8.1815 121.8252 52.9593 38.3173 177.2445 38 K 3.8211 7.9462 122.6773 60.0314 32.5013 177.2952 39 R 3.9780 8.1274 118.5365 59.1501 30.0626 178.4259 40 L 4.1042 7.7635 118.4317 57.3886 41.5828 178.7887 41 N 4.5380 8.1702 116.8713 56.7498 38.9434 176.5559 42 D 4.3078 8.1245 120.2617 57.4451 40.9867 179.1460 43 V 3.3459 7.6683 118.4310 66.1076 31.4484 178.0124 44 E 3.7981 8.2662 118.3183 59.1471 29.2491 178.6813 45 Y 3.8661 8.1003 119.7934 61.1466 39.0286 178.0926 46 H 4.1394 8.1602 116.6883 58.5406 28.6931 177.6207 47 E 3.6491 7.7541 120.7467 58.6851 29.1458 178.8365 48 S 4.1569 7.9018 113.5031 61.6452 62.4457 176.3496 49 I 3.5702 7.3684 122.2747 64.2049 36.8582 177.8721 50 D 4.1738 7.7072 118.5399 57.5495 41.0570 178.3655 51 E 4.2847 8.1331 120.1133 58.8850 29.2945 179.3065 52 M 4.0578 8.0408 119.1357 58.3028 32.0025 178.7315 53 K 3.8899 7.9779 118.6192 59.7706 32.1477 179.1382 54 H 4.0763 7.9638 115.8396 58.7385 28.6039 177.5882 55 A 4.2086 8.2313 122.6941 55.2875 18.1509 178.9485 56 D 4.3054 8.3208 116.6443 57.8041 41.2773 178.8922 57 R 3.8633 7.8133 118.3023 59.3433 29.9813 178.6159 58 Y 4.3636 7.8261 116.5289 61.2901 37.9141 178.8105 59 I 3.7767 8.2685 120.9917 64.6422 37.2726 178.4713 60 E 4.0797 8.5100 119.5040 59.1124 29.1289 179.5075 61 R 4.0573 8.0157 118.9326 59.4911 30.2576 178.3044 62 I 3.7591 8.4986 119.9971 64.6601 37.1319 178.4077 63 L 4.0503 8.0591 119.5887 57.7195 41.2443 179.3005 64 F 4.3676 8.1138 119.5656 61.2541 39.6751 176.4680 65 L 4.3236 8.1834 117.7273 53.8880 41.1901 177.1094 66 E 3.8984 8.0099 117.6118 57.4698 27.0922 174.4316 67 G 3.9675 8.2760 108.5040 43.9918 0.0000 173.6277 68 L 4.5396 8.0162 119.0493 52.0101 42.1008 175.1392 69 P 4.4143 0.0000 0.0000 62.4925 31.8000 176.0408 70 N 4.7194 9.3516 122.1092 52.4188 38.7629 173.9538 71 L 4.6213 8.3231 124.1769 54.5622 42.5039 177.5156 72 Q 4.1259 8.5076 121.8293 58.3006 29.3436 175.9686 73 D 4.6395 8.0534 116.8500 53.0764 41.8210 175.3223 74 L 4.5785 8.2856 125.2540 52.7409 44.1332 176.3278 75 G 3.7987 8.5017 115.1918 44.5927 0.0000 172.1505 76 K 4.0195 8.3139 120.6593 56.0562 32.2956 176.4145 77 L 4.1229 8.3339 126.7699 54.4493 42.3049 176.2307 78 N 4.8205 8.8450 120.5400 52.0613 40.4069 174.2458 79 I 3.8880 8.5572 126.7034 64.0520 37.7822 178.1237 80 G 4.1631 8.2914 102.2474 45.9142 0.0000 172.5806 81 E 4.7482 8.6999 116.4504 55.7178 31.8014 176.1842 82 D 5.0551 7.7256 117.6667 50.3297 44.0496 176.1874 83 V 4.0343 8.4840 118.6114 66.5826 31.3587 177.2789 84 E 3.8364 8.2326 117.9941 59.5196 29.4691 178.1407 85 E 4.0022 8.6426 119.3266 59.6567 29.6362 178.7502 86 M 4.2493 8.4806 117.2791 58.2250 31.3995 178.6018 87 L 4.1541 8.7028 120.4502 57.6776 41.7445 179.4156 88 R 3.9103 8.5750 119.0865 59.4047 29.9936 178.5763 89 S 4.1129 8.1177 113.1535 61.3303 62.4231 175.7998 90 D 4.2524 8.2008 121.7083 57.1474 40.5281 178.4493 91 L 4.0182 8.2437 120.6400 58.2868 42.1413 178.8525 92 A 4.0052 8.2904 120.8753 55.0918 18.2497 179.4094 93 L 3.9095 7.9256 118.7384 58.3246 42.1511 179.0541 94 E 4.0672 8.3595 118.5477 59.4285 29.5552 179.2840 95 L 4.0436 8.1645 119.0606 58.0885 41.7466 179.4381 96 D 4.5244 8.4221 118.9362 57.2180 40.6444 179.1014 97 G 3.6398 8.3309 106.2539 47.5642 0.0000 175.6963 98 A 4.0242 8.5249 123.5953 54.6860 18.4671 179.5375 99 K 3.8477 7.9606 117.7366 59.9304 32.2578 178.6222 100 N 4.6340 7.9908 117.8442 55.8055 38.3799 177.4260 101 L 3.9772 8.2344 120.3861 57.8327 41.6365 179.6508 102 R 3.8886 8.3047 118.3783 59.1462 30.0756 178.7554 103 E 3.8159 8.0335 118.2225 59.2879 29.6566 178.7002 104 A 2.8495 7.8334 120.9662 54.7440 18.4718 179.5799 105 I 3.7003 7.9297 118.6047 64.5588 36.9648 178.9353 106 G 3.6031 7.8231 106.2222 47.8757 0.0000 175.1971 107 Y 4.0250 8.0396 122.6659 59.7077 38.8009 177.3852 108 A 3.8238 8.2376 122.1014 55.3209 18.5353 179.1024 109 D 4.0823 7.9005 116.2370 57.3229 41.4143 178.4529 110 S 4.1383 7.4767 114.1499 60.1753 62.9945 175.7258 111 V 4.0254 6.7612 114.1100 60.7069 31.4653 175.8202 112 H 2.8082 6.9627 113.8474 56.6874 27.0270 176.4428 113 D 4.5364 7.4289 121.2736 53.4552 37.6645 176.2671 114 Y 4.3477 7.4351 121.3829 60.5947 38.3916 178.2762 115 V 3.7400 7.8465 119.9715 64.7358 31.8025 178.2858 116 S 4.1631 8.3716 115.9391 61.4410 62.6154 176.6967 117 R 3.8832 8.1042 121.1042 59.4832 29.9548 178.0336 118 D 4.3099 8.3038 117.7857 57.5934 41.3901 177.7682 119 M 4.0099 8.3123 118.9053 59.0935 32.1455 178.1476 120 M 4.1811 8.2882 118.8751 58.3708 32.1075 178.8576 121 I 3.7291 8.1657 120.4678 64.3264 37.2858 178.2752 122 E 3.9793 8.0692 119.0124 59.4071 29.2737 179.4852 123 I 3.4897 7.5834 119.4299 64.2486 37.1642 178.1549 124 L 3.9622 8.1172 121.3163 58.2010 41.9826 178.9814 125 R 3.9529 8.0962 118.6091 59.5891 29.9885 178.3041 126 D 4.3653 8.0140 118.6519 57.1491 40.7660 178.6927 127 E 3.9200 8.2166 119.3002 59.3634 29.4751 178.6555 128 E 4.1318 8.7321 119.9523 59.3353 29.5490 179.1660 129 G 3.6536 7.9353 105.1791 48.2232 0.0000 175.3526 130 H 4.4285 8.0845 119.0622 58.6063 28.6815 177.7759 131 I 3.8117 8.4224 122.0032 64.5562 36.9893 177.7229 132 D 4.3741 8.4297 118.8176 57.2000 40.9851 178.2407 133 W 4.1065 8.3376 128.5960 60.5079 30.7501 177.8202 134 L 3.7767 8.5769 119.2654 57.8996 41.1050 179.3586 135 E 3.9147 8.3845 118.4886 59.7221 29.3041 179.6696 136 T 3.7758 7.8046 115.5796 66.5277 68.5381 176.4711 137 E 3.7278 7.6767 120.4815 59.4944 29.1436 179.4513 138 L 3.7854 7.7517 118.7931 57.9608 41.6175 179.4702 139 D 4.3829 8.1626 118.7788 57.0989 40.6385 178.7373 140 L 3.9829 8.0350 119.9859 57.7456 41.7191 179.4694 141 I 3.3876 7.3841 119.6984 64.4959 36.7395 178.5442 142 Q 3.9764 7.3583 116.3220 58.7725 28.5967 178.5464 143 K 4.1455 7.9856 119.0569 58.7997 32.3014 178.4095 144 M 4.3962 8.3588 114.7955 53.9485 32.4738 177.2754 145 G 4.1064 7.4953 105.0298 45.9746 0.0000 174.4575 146 L 3.9324 8.4128 121.2515 58.0603 42.1819 179.1932 147 Q 4.0055 8.1049 117.4456 59.4049 28.8090 178.7671 148 N 4.3711 8.1783 116.6475 56.3920 38.3388 176.7662 149 Y 3.9983 7.7950 120.2573 60.5872 39.1848 177.6459 150 L 4.0635 8.3680 120.3130 57.9381 41.6486 179.2410 151 Q 3.9818 8.1437 119.1661 59.0531 28.7277 177.7037 152 A 4.1691 7.5021 118.8722 53.3394 18.8330 178.1962 153 Q 4.2831 7.9882 116.3818 55.7569 29.2022 177.6137 154 I 4.0259 7.2821 121.0066 62.7266 37.4631 176.5267 155 R 4.6708 7.5540 117.9877 53.7811 32.2511 175.6059 156 E 4.1237 8.4643 119.7894 55.8860 30.5212 175.8846 157 E 4.0327 8.5507 122.4168 55.5265 30.3686 176.6304 *158 G 3.7327 8.6144 114.2107 45.8886 0.0000 172.1447 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 1.49 1.74 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 2.51 2.43 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 8.71 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 4.57 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 8.91 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 1.69 1.95 0.00 1.44 0.00 0.00 1.10 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.58 0.97 7.81 7 V 8.65 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 1.00 0.00 0.00 1.16 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 0.67 0.91 0.00 0.00 9 N 8.32 4.23 0.00 2.63 2.64 0.00 0.00 7.05 7.65 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 10 Y 8.06 4.06 0.00 3.19 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 8.49 3.82 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 8.45 4.41 0.00 2.88 2.82 0.00 0.00 6.70 8.77 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 13 K 8.13 3.87 0.00 1.74 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 3.85 0.00 0.93 1.25 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.93 4.09 0.00 1.71 1.85 1.04 1.15 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 8.21 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 8.09 4.36 0.00 3.00 2.92 0.00 0.00 7.05 7.66 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 18 E 8.43 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 2.79 2.84 0.00 19 L 8.38 4.22 0.00 1.88 1.96 0.95 1.18 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 7.85 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 0.95 0.00 0.00 0.95 0.00 0.00 21 A 8.10 3.82 1.45 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 0.00 0.00 22 I 8.27 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 1.75 0.72 0.91 0.00 0.00 23 N 7.82 4.40 0.00 2.93 2.86 0.00 0.00 6.76 7.73 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 24 Q 8.38 3.84 0.00 1.98 1.87 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 2.22 2.12 0.00 25 Y 8.44 4.37 0.00 3.16 3.05 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 26 F 8.43 3.81 0.00 3.43 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 27 L 8.19 3.97 0.00 1.95 1.58 0.88 0.88 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 8.25 3.79 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 8.28 4.15 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 30 R 7.80 3.87 0.00 1.74 1.88 0.00 3.27 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.68 0.00 31 M 7.81 3.42 0.00 0.86 1.60 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.12 0.00 32 F 7.50 4.58 0.00 3.30 3.28 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 0.00 0.00 0.00 33 K 8.12 3.94 0.00 2.05 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 7.99 4.27 0.00 2.68 2.67 0.00 0.00 7.33 8.33 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 35 W 8.01 4.75 0.00 3.75 3.17 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 36 G 8.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.18 4.64 0.00 2.22 1.69 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 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 3.13 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.13 3.98 0.00 2.04 2.01 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 7.76 4.10 0.00 1.70 1.08 1.04 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.54 0.00 3.13 3.02 0.00 0.00 7.12 7.77 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 42 D 8.12 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 7.67 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 -0.52 0.00 0.00 0.75 0.00 0.00 44 E 8.27 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 3.00 0.00 45 Y 8.10 3.87 0.00 2.94 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 46 H 8.16 4.14 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 7.75 3.65 0.00 1.26 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 7.90 4.16 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 7.37 3.57 1.83 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.52 0.84 0.00 0.00 50 D 7.71 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 8.13 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 2.72 2.67 0.00 52 M 8.04 4.06 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.17 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 7.98 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 1.64 7.81 54 H 7.96 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 8.23 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 8.32 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 7.81 3.86 0.00 1.81 1.80 0.00 3.14 0.00 0.00 3.08 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 7.83 4.36 0.00 3.22 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 59 I 8.27 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 0.71 0.95 0.00 0.00 60 E 8.51 4.08 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 2.47 0.00 61 R 8.02 4.06 0.00 2.14 2.21 0.00 3.35 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 1.86 0.00 62 I 8.50 3.76 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 0.67 0.97 0.00 0.00 63 L 8.06 4.05 0.00 2.11 1.79 0.99 1.12 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 8.11 4.37 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 8.18 4.32 0.00 1.85 1.63 1.04 0.81 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 8.01 3.90 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 8.28 3.97 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 0.00 0.00 0.00 68 L 8.02 4.54 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 4.41 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 9.35 4.72 0.00 2.59 2.78 0.00 0.00 7.07 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 71 L 8.32 4.62 0.00 1.63 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.51 4.13 0.00 1.98 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 8.05 4.64 0.00 2.69 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 8.29 4.58 0.00 1.52 1.50 0.91 1.10 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 75 G 8.50 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 8.31 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 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.12 0.00 1.64 1.56 0.89 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 8.85 4.82 0.00 2.62 2.69 0.00 0.00 7.19 7.22 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 79 I 8.56 3.89 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 8.29 4.16 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 0.00 0.00 0.00 81 E 8.70 4.75 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 7.73 5.06 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.48 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 1.20 0.00 0.00 1.25 0.00 0.00 84 E 8.23 3.84 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 8.64 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 8.48 4.25 0.00 2.28 1.77 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.06 0.00 87 L 8.70 4.15 0.00 2.02 1.78 1.29 0.71 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 8.58 3.91 0.00 2.10 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 8.12 4.11 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 8.20 4.25 0.00 3.13 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 0.83 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 8.29 4.01 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 7.93 3.91 0.00 1.90 1.80 0.91 0.87 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 8.36 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 2.73 0.00 95 L 8.16 4.04 0.00 2.05 1.75 0.96 0.96 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 8.42 4.52 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 8.52 4.02 1.42 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 99 K 7.96 3.85 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 1.50 7.81 100 N 7.99 4.63 0.00 3.01 2.92 0.00 0.00 6.58 6.74 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 0.00 101 L 8.23 3.98 0.00 1.98 1.73 0.98 1.17 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 8.30 3.89 0.00 1.97 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 8.03 3.82 0.00 2.33 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 2.43 2.36 0.00 104 A 7.83 2.85 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 7.93 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 1.16 0.91 0.00 0.00 106 G 7.82 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 8.04 4.02 0.00 3.11 2.94 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 0.00 108 A 8.24 3.82 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 0.00 109 D 7.90 4.08 0.00 2.87 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 7.48 4.14 0.00 3.95 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 4.03 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 0.49 0.00 0.00 0.67 0.00 0.00 112 H 6.96 2.81 0.00 3.18 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.74 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 4.54 0.00 2.62 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 7.44 4.35 0.00 3.10 2.94 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 0.00 115 V 7.85 3.74 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 0.97 0.00 0.00 116 S 8.37 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 8.10 3.88 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 1.68 1.67 0.00 118 D 8.30 4.31 0.00 3.01 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 0.00 119 M 8.31 4.01 0.00 2.25 2.04 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 2.50 2.49 0.00 120 M 8.29 4.18 0.00 2.16 2.27 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 2.94 2.82 0.00 121 I 8.17 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 1.03 0.92 0.00 0.00 122 E 8.07 3.98 0.00 2.10 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 3.49 1.94 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.63 0.78 0.00 0.00 124 L 8.12 3.96 0.00 1.84 1.85 0.95 0.95 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 8.10 3.95 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 8.01 4.37 0.00 2.94 2.79 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 0.00 127 E 8.22 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 8.73 4.13 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 2.38 0.00 129 G 7.94 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 8.08 4.43 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 8.42 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 0.85 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 8.34 4.11 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 8.58 3.78 0.00 1.97 1.76 1.41 1.33 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 3.91 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 2.49 0.00 136 T 7.80 3.78 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 7.68 3.73 0.00 1.55 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 0.00 1.47 1.47 0.00 138 L 7.75 3.79 0.00 1.72 1.62 0.89 0.88 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 8.16 4.38 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 8.03 3.98 0.00 1.84 1.83 0.95 0.91 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 7.38 3.39 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 -0.12 0.07 0.71 0.00 0.00 142 Q 7.36 3.98 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 143 K 7.99 4.15 0.00 1.72 1.85 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 8.36 4.40 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 145 G 7.50 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.41 3.93 0.00 1.74 1.66 0.94 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 8.10 4.01 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.18 4.37 0.00 2.98 2.89 0.00 0.00 6.66 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 7.79 4.00 0.00 3.03 3.17 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 0.00 150 L 8.37 4.06 0.00 2.03 1.70 1.07 0.80 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 8.14 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 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.50 4.17 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 7.99 4.28 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 154 I 7.28 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 7.55 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 8.46 4.12 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 4.03 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.