NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2338 8.1476 120.2504 54.6466 32.7179 174.6240 2 K 4.3608 8.3326 126.5832 56.6258 33.1511 176.4528 3 G 3.8514 8.6851 111.3371 45.1408 0.0000 167.5794 4 D 4.3953 8.5653 131.0780 54.1436 41.1727 174.4345 5 T 3.8303 8.5961 123.8024 66.7820 68.5485 176.1544 6 K 3.7142 8.1898 120.8127 59.5330 32.0480 178.7258 7 V 3.8914 8.1281 117.9432 66.2798 31.6472 178.1869 8 I 3.7928 7.7919 119.2550 64.0126 36.8170 178.2716 9 N 4.2965 8.1164 117.8592 56.2922 38.3354 176.9972 10 Y 4.0742 7.9037 118.0869 61.0480 37.9409 178.5926 11 L 3.8612 8.2333 120.0004 58.0375 41.7764 179.4799 12 N 4.2953 8.0737 116.0921 55.9314 38.4046 177.5299 13 K 3.9060 7.9540 121.2882 59.3616 32.2949 178.9554 14 L 4.0180 8.0412 119.6819 57.5539 41.3859 179.1865 15 L 3.9669 7.6655 120.4742 58.0189 42.1338 179.2513 16 G 3.5864 7.9477 105.5966 47.8896 0.0000 175.2151 17 N 4.3508 8.0331 118.9946 56.1698 38.5245 177.3218 18 E 4.0602 8.1191 119.7390 59.4861 29.4474 179.2663 19 L 4.0221 8.1503 119.3503 57.9248 41.6261 180.1054 20 V 3.6201 7.8116 118.4169 64.6741 31.3746 178.3542 21 A 3.8556 7.8981 121.7467 54.7167 18.2288 179.6319 22 I 3.8414 8.0715 111.8390 64.2982 37.7352 178.3413 23 N 4.3725 7.9393 118.3502 56.0765 38.4310 177.2706 24 Q 3.8810 8.2702 121.1054 59.3779 29.1490 177.7990 25 Y 4.4355 8.0795 117.8874 60.9816 37.9254 178.1406 26 F 3.9930 8.5898 121.8704 60.9423 39.4602 177.1740 27 L 3.9869 8.0519 119.8871 58.3785 41.8672 178.4990 28 H 3.8047 8.2561 115.9412 58.7010 28.5749 177.2711 29 A 4.1685 8.0209 122.3660 55.7223 18.2140 180.0878 30 R 3.7654 7.6841 115.6942 59.0641 30.0964 179.3832 31 M 3.4477 7.6845 119.1100 57.9205 31.8232 178.6190 32 F 4.3718 7.4971 117.9116 60.4659 39.1890 177.2573 33 K 3.7946 8.2706 119.5760 59.9160 31.6903 177.7953 34 N 4.2573 7.6564 115.4071 56.7582 38.8415 176.1575 35 W 4.7945 7.6956 117.5242 57.6573 29.2618 177.2344 36 G 4.0736 8.8987 108.5648 45.4426 0.0000 173.6753 37 L 4.6383 7.9091 121.9188 52.9082 39.4493 177.0359 38 K 3.9362 8.1184 122.6789 59.3378 32.4850 178.3372 39 R 3.8581 8.2892 119.1671 59.4921 30.0144 178.6453 40 L 4.0521 7.7566 118.3321 57.4892 41.6016 178.8491 41 N 4.4506 8.1816 116.9848 56.8018 38.8334 176.5928 42 D 4.3524 8.2246 120.4478 57.4067 41.0486 179.1416 43 V 3.3206 7.6299 118.3572 66.0934 31.4327 177.8885 44 E 3.7984 8.1111 118.2615 59.4248 29.3893 178.9652 45 Y 3.8534 8.0967 119.5889 61.0189 38.9355 177.6349 46 H 4.0594 7.9320 119.1000 59.0363 29.7929 177.0809 47 E 3.6827 7.5979 120.2886 58.9641 29.0436 179.1179 48 S 4.0935 7.4028 113.2804 61.4483 62.4852 176.3378 49 I 3.6170 7.2280 122.1174 64.1294 36.6461 178.1954 50 D 4.1448 7.8379 119.7985 57.4481 40.6202 178.5264 51 E 4.0243 8.2592 119.1608 59.8607 29.3274 179.3646 52 M 4.0431 8.1699 118.5856 58.4487 31.9889 178.9513 53 K 4.0466 7.9248 118.4060 59.2469 32.2648 179.1492 54 H 4.1307 8.3508 116.7572 58.7907 28.6366 177.4520 55 A 4.2275 8.2849 122.6547 55.5162 18.2536 179.1562 56 D 4.3035 7.9353 116.3419 57.4312 41.1776 178.6865 57 R 3.8381 7.7577 118.2052 59.4245 30.0428 178.6263 58 Y 4.2681 7.5313 115.8604 61.2527 38.0119 178.4725 59 I 3.7996 8.0629 120.7815 64.7402 37.2205 178.3818 60 E 4.0699 8.2671 119.2224 59.1637 29.3197 179.3679 61 R 4.0022 8.1157 118.8780 59.5601 30.2296 178.5953 62 I 3.8005 8.3161 120.0620 64.5167 36.9703 178.4734 63 L 4.1133 8.0042 119.6251 57.5332 41.1835 179.3723 64 F 4.2849 8.1142 119.8311 61.3583 39.8063 176.9165 65 L 4.5675 7.9351 118.1539 54.5710 41.5037 176.6031 66 E 3.4987 7.8671 117.3276 57.8408 26.6381 173.4440 67 G 4.1435 8.3755 107.0508 43.4806 0.0000 172.2407 68 L 4.6284 8.0715 120.2597 52.1096 43.6041 174.3176 69 P 4.3956 0.0000 0.0000 62.7878 31.8190 175.6960 70 N 4.7212 9.2714 121.5144 52.4921 38.6465 173.9958 71 L 4.6900 8.3697 124.7510 54.5529 42.3963 177.3416 72 Q 4.2228 8.3709 122.2529 57.3426 29.7299 175.6714 73 D 4.6698 8.1001 117.7409 52.8975 41.7124 175.2171 74 L 4.6105 8.3538 126.0085 53.0872 44.1175 176.1825 75 G 3.9685 8.2041 113.7515 43.9725 0.0000 172.7890 76 K 4.1430 8.3396 118.8675 55.9034 32.5242 176.7241 77 L 4.3619 8.3924 124.0333 53.2985 42.7350 175.8267 78 N 4.7041 8.3897 122.7804 51.7536 38.1405 174.3766 79 I 3.7955 7.7457 126.0462 61.9645 37.9054 177.3181 80 G 4.2911 8.2232 108.1871 45.7663 0.0000 172.8328 81 E 4.7172 8.7820 119.9229 55.9476 30.8578 176.3575 82 D 4.9829 7.7979 118.9813 50.4344 43.8201 176.2965 83 V 4.0690 8.6384 121.6077 65.6766 31.0213 178.2080 84 E 3.8656 8.2269 119.3017 58.6985 29.5461 178.3442 85 E 3.9705 8.5133 119.4332 59.4610 29.7964 178.4943 86 M 4.2208 8.4774 119.1422 58.6758 32.0721 178.8061 87 L 4.2128 8.4276 119.2466 58.0130 41.7816 179.9057 88 R 4.0235 7.9052 118.0711 59.0252 29.9470 179.3415 89 S 4.1276 8.0541 114.7270 61.7718 62.9166 176.1792 90 D 4.2619 8.0964 121.5487 57.3902 40.5626 178.9315 91 L 3.9835 7.9994 120.3826 58.1218 42.1868 178.7931 92 A 3.9994 8.0979 120.7639 55.0289 18.3018 179.3640 93 L 3.8853 8.0085 118.7376 58.4209 42.2301 178.9965 94 E 4.0613 8.1468 118.4699 59.4499 29.4245 179.4592 95 L 4.0386 8.1411 118.9677 57.8649 41.6175 179.2608 96 D 4.4713 8.2922 118.9469 57.3162 40.7579 179.0795 97 G 3.6277 8.1844 105.9494 47.8387 0.0000 175.4137 98 A 4.0350 8.1467 123.4390 54.7714 18.0340 179.5881 99 K 3.8925 7.9445 117.5439 59.8594 32.2744 178.8586 100 N 4.4028 7.9757 116.4771 56.1090 38.3542 177.3586 101 L 3.9881 8.0187 120.5416 58.0251 41.8415 179.8445 102 R 3.8899 8.0505 117.8836 59.0321 29.8146 178.7796 103 E 3.8370 7.8965 118.6903 59.2562 29.7082 178.8131 104 A 2.8845 7.6219 120.7509 54.8176 17.8303 179.7082 105 I 3.7824 8.0021 118.7447 64.3629 37.0595 178.9535 106 G 3.6028 7.9387 106.2676 47.8051 0.0000 175.2610 107 Y 3.9319 7.7624 121.8852 60.3799 38.7828 177.6757 108 A 3.8820 7.9576 121.7106 55.1241 18.3282 179.1344 109 D 4.1437 7.6949 115.5666 57.6092 41.1363 178.4265 110 S 3.9652 7.3310 114.2241 61.4521 62.9697 176.5195 111 V 3.6518 6.9723 118.0888 61.6497 31.5642 176.3385 112 H 2.9858 7.2738 115.6613 56.7983 26.7841 176.1097 113 D 4.4918 7.5613 122.1189 53.4413 38.6232 176.1011 114 Y 4.3595 7.4895 121.8629 60.3603 38.3860 177.4747 115 V 3.7171 7.8725 119.0401 65.8439 31.8229 178.1717 116 S 4.2372 8.3339 115.0704 61.4114 62.8364 176.7179 117 R 4.0703 8.1179 118.6837 58.7480 29.0913 178.5683 118 D 4.2662 8.2122 119.3401 57.5251 41.3128 177.6032 119 M 3.9904 7.9468 118.6764 59.1356 32.1220 178.0935 120 M 4.1285 8.0109 118.4028 58.5335 32.1070 178.8837 121 I 3.7525 7.7607 119.4414 63.9968 37.0535 178.4606 122 E 3.9233 7.9333 119.8864 59.5900 29.3901 179.3968 123 I 3.6159 7.6622 119.8310 64.1955 37.0750 178.3382 124 L 4.0009 8.2762 121.6276 58.0076 41.6836 178.9516 125 R 3.9238 7.8341 118.0524 59.3349 30.2301 178.0645 126 D 4.4513 7.8027 118.9932 57.2699 40.8137 178.4150 127 E 3.9347 8.1988 119.0297 59.6174 29.4951 179.3531 128 E 4.2109 8.4680 118.1327 58.7889 29.2644 179.4320 129 G 3.7351 7.9671 106.1569 47.5672 0.0000 175.7916 130 H 4.5732 7.9967 118.0376 58.8657 28.8364 177.7205 131 I 3.8527 8.3506 122.1673 64.4225 36.9369 178.0221 132 D 4.3652 8.1187 118.6551 57.0197 41.0820 178.0990 133 W 4.1680 8.1818 128.9098 60.4240 30.7113 177.9869 134 L 3.6340 8.1465 118.7772 57.7632 40.9789 179.2661 135 E 3.9160 8.1637 118.4634 59.7704 29.5340 179.6431 136 T 3.8284 7.8935 115.5677 66.5359 68.4426 176.5159 137 E 3.7984 7.7622 120.3843 59.4977 29.4029 179.5356 138 L 3.8217 7.7849 118.7138 57.7076 41.5788 179.2983 139 D 4.4416 7.7613 119.0056 56.8577 40.8080 178.7327 140 L 4.0453 7.7029 119.3241 57.8141 41.6108 179.5671 141 I 3.4963 7.1844 119.4273 64.1360 36.6909 178.3030 142 Q 3.8684 7.2142 118.0637 59.1270 28.9913 178.1095 143 K 4.1578 8.2496 118.8484 58.7899 32.3900 178.3772 144 M 4.3975 8.5478 114.9541 54.1893 32.5203 177.2952 145 G 4.0527 7.5102 105.5778 45.6210 0.0000 174.3945 146 L 4.0272 8.3520 120.6078 58.1355 42.1293 179.3603 147 Q 4.1003 8.0230 117.6269 58.9944 28.7444 178.2868 148 N 4.3851 8.1123 117.1629 56.2820 38.4815 176.6854 149 Y 3.9714 7.7692 119.8026 60.6483 39.1916 177.8852 150 L 4.1082 8.5678 120.2843 57.9173 41.9314 179.3100 151 Q 3.9887 8.2544 119.2164 58.8617 28.7473 177.3633 152 A 4.2189 7.6747 118.9148 53.0264 18.6088 178.0350 153 Q 4.4118 7.7200 116.6014 55.5822 30.1235 177.0765 154 I 4.1670 7.0654 110.9571 61.7055 37.7753 176.2379 155 R 4.6317 7.4352 119.9469 54.2751 33.7851 174.6093 156 E 4.1441 8.5923 120.3958 55.8419 30.6582 177.2381 157 E 4.0895 8.2979 121.4745 55.5575 31.5086 176.8408 *158 G 3.7265 8.6125 107.8184 46.0887 0.0000 172.6666 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 8.15 4.23 0.00 1.24 1.76 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 2 K 8.33 4.36 0.00 1.92 1.88 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.46 7.81 3 G 8.69 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 4 D 8.57 4.40 0.00 2.89 2.77 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 0.00 0.00 0.00 0.00 5 T 8.60 3.83 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 1.24 0.00 0.00 6 K 8.19 3.71 0.00 1.98 1.73 0.00 0.92 0.00 0.00 1.17 0.00 0.00 2.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.14 7.81 7 V 8.13 3.89 2.35 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 1.22 0.00 0.00 1.24 0.00 0.00 8 I 7.79 3.79 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 1.56 1.17 0.92 0.00 0.00 9 N 8.12 4.30 0.00 2.77 2.61 0.00 0.00 6.85 6.84 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 10 Y 7.90 4.07 0.00 3.19 2.92 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 0.00 0.00 0.00 0.00 11 L 8.23 3.86 0.00 2.05 1.75 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.07 4.30 0.00 2.89 2.81 0.00 0.00 6.69 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.95 3.91 0.00 1.78 2.02 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 L 8.04 4.02 0.00 1.55 0.86 1.01 0.65 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 15 L 7.67 3.97 0.00 1.70 1.76 1.09 0.91 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 16 G 7.95 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 17 N 8.03 4.35 0.00 3.03 2.91 0.00 0.00 7.06 7.82 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 18 E 8.12 4.06 0.00 2.32 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 2.85 0.00 19 L 8.15 4.02 0.00 1.85 1.73 0.92 0.78 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 20 V 7.81 3.62 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 0.90 0.00 0.00 21 A 7.90 3.86 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 8.07 3.84 1.92 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 1.53 1.00 1.00 0.00 0.00 23 N 7.94 4.37 0.00 2.96 2.91 0.00 0.00 6.68 7.19 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 24 Q 8.27 3.88 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 25 Y 8.08 4.44 0.00 3.26 2.99 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 26 F 8.59 3.99 0.00 3.35 3.11 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 27 L 8.05 3.99 0.00 1.88 1.63 0.90 0.95 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 28 H 8.26 3.80 0.00 3.59 3.28 0.00 5.89 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 8.02 4.17 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 7.68 3.77 0.00 1.75 1.89 0.00 3.17 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.74 0.00 31 M 7.68 3.45 0.00 0.85 1.51 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.22 0.00 32 F 7.50 4.37 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 8.27 3.79 0.00 2.09 1.91 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 N 7.66 4.26 0.00 2.70 2.64 0.00 0.00 7.38 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 35 W 7.70 4.79 0.00 3.77 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 8.90 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 37 L 7.91 4.64 0.00 2.15 1.66 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.12 3.94 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.51 7.81 39 R 8.29 3.86 0.00 2.02 2.07 0.00 3.06 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 40 L 7.76 4.05 0.00 1.50 0.90 1.03 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.45 0.00 3.16 3.06 0.00 0.00 7.17 8.34 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 42 D 8.22 4.35 0.00 2.92 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 43 V 7.63 3.32 1.70 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 -0.69 0.00 0.00 0.77 0.00 0.00 44 E 8.11 3.80 0.00 2.34 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 0.00 2.66 3.15 0.00 45 Y 8.10 3.85 0.00 3.01 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 46 H 7.93 4.06 0.00 3.20 3.16 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 7.60 3.68 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 1.82 1.78 0.00 48 S 7.40 4.09 0.00 4.00 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 49 I 7.23 3.62 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.85 0.00 0.00 50 D 7.84 4.14 0.00 2.71 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 51 E 8.26 4.02 0.00 2.19 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 2.71 2.82 0.00 52 M 8.17 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 2.70 2.55 0.00 53 K 7.92 4.05 0.00 1.92 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.61 7.81 54 H 8.35 4.13 0.00 3.46 3.47 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 8.28 4.23 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 56 D 7.94 4.30 0.00 2.75 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 57 R 7.76 3.84 0.00 2.00 1.64 0.00 3.12 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 1.54 1.60 0.00 58 Y 7.53 4.27 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 8.06 3.80 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 1.59 1.49 0.95 0.00 0.00 60 E 8.27 4.07 0.00 2.18 2.01 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 2.35 2.70 0.00 61 R 8.12 4.00 0.00 2.14 2.22 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 1.75 1.85 0.00 62 I 8.32 3.80 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 1.59 0.71 0.99 0.00 0.00 63 L 8.00 4.11 0.00 2.12 1.79 0.98 1.01 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 8.11 4.28 0.00 2.99 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 4.57 0.00 1.99 1.68 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.87 3.50 0.00 2.01 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 2.13 2.23 0.00 67 G 8.38 4.14 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 0.00 0.00 0.00 68 L 8.07 4.63 0.00 1.57 1.54 0.92 0.91 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 69 P 0.00 4.40 0.00 2.10 2.01 0.00 3.72 0.00 0.00 3.76 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 9.27 4.72 0.00 2.59 2.79 0.00 0.00 7.02 7.74 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 71 L 8.37 4.69 0.00 1.64 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.37 4.22 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 73 D 8.10 4.67 0.00 2.68 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 8.35 4.61 0.00 1.57 1.51 0.91 1.07 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 75 G 8.20 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 76 K 8.34 4.14 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 77 L 8.39 4.36 0.00 1.61 1.56 0.91 0.99 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 8.39 4.70 0.00 2.64 2.74 0.00 0.00 7.22 7.94 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 79 I 7.75 3.80 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.95 0.00 0.00 80 G 8.22 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.72 0.00 2.04 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 2.31 2.41 0.00 82 D 7.80 4.98 0.00 2.87 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 83 V 8.64 4.07 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 1.10 0.00 0.00 1.11 0.00 0.00 84 E 8.23 3.87 0.00 2.00 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 2.25 2.22 0.00 85 E 8.51 3.97 0.00 2.47 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 2.34 2.37 0.00 86 M 8.48 4.22 0.00 1.80 2.42 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.42 0.00 87 L 8.43 4.21 0.00 1.87 1.74 1.18 0.92 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 88 R 7.91 4.02 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 89 S 8.05 4.13 0.00 4.16 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 90 D 8.10 4.26 0.00 3.09 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 91 L 8.00 3.98 0.00 1.93 1.87 0.98 1.03 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 92 A 8.10 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.89 0.00 1.87 1.80 0.89 0.64 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 94 E 8.15 4.06 0.00 2.34 2.09 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 2.59 2.71 0.00 95 L 8.14 4.04 0.00 2.06 1.73 0.96 0.96 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 96 D 8.29 4.47 0.00 2.87 2.72 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 0.00 0.00 0.00 0.00 97 G 8.18 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 98 A 8.15 4.03 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 7.94 3.89 0.00 1.98 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 N 7.98 4.40 0.00 2.94 2.89 0.00 0.00 7.05 8.09 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 0.00 101 L 8.02 3.99 0.00 1.91 1.73 0.96 0.85 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 8.05 3.89 0.00 1.86 1.97 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 103 E 7.90 3.84 0.00 2.02 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 2.28 2.36 0.00 104 A 7.62 2.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.00 3.78 1.85 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 1.14 0.92 0.00 0.00 106 G 7.94 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 7.76 3.93 0.00 3.04 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 0.00 108 A 7.96 3.88 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 0.00 109 D 7.69 4.14 0.00 2.86 2.81 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 0.00 0.00 0.00 0.00 110 S 7.33 3.97 0.00 3.54 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 0.00 111 V 6.97 3.65 1.82 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 0.62 0.00 0.00 0.82 0.00 0.00 112 H 7.27 2.99 0.00 3.14 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.56 4.49 0.00 2.60 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 7.49 4.36 0.00 3.09 2.92 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 0.00 0.00 0.00 0.00 115 V 7.87 3.72 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 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.33 4.24 0.00 4.10 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 0.00 117 R 8.12 4.07 0.00 2.14 2.33 0.00 2.91 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 118 D 8.21 4.27 0.00 3.00 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 0.00 119 M 7.95 3.99 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 120 M 8.01 4.13 0.00 2.20 2.15 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 2.90 2.81 0.00 121 I 7.76 3.75 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 0.83 0.92 0.00 0.00 122 E 7.93 3.92 0.00 2.21 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 2.54 0.00 123 I 7.66 3.62 1.93 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.74 0.00 0.00 124 L 8.28 4.00 0.00 1.85 1.82 0.94 1.14 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 0.00 125 R 7.83 3.92 0.00 2.04 2.12 0.00 3.32 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 126 D 7.80 4.45 0.00 2.97 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 0.00 127 E 8.20 3.93 0.00 2.14 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 2.52 2.55 0.00 128 E 8.47 4.21 0.00 2.26 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 2.48 0.00 129 G 7.97 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 0.00 130 H 8.00 4.57 0.00 3.65 3.63 0.00 5.65 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 0.00 131 I 8.35 3.85 2.09 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 0.83 0.97 0.00 0.00 132 D 8.12 4.37 0.00 2.96 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 0.00 133 W 8.18 4.17 0.00 3.44 3.44 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 0.00 134 L 8.15 3.63 0.00 1.86 1.73 1.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.16 3.92 0.00 2.17 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 2.65 0.00 136 T 7.89 3.83 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 E 7.76 3.80 0.00 1.57 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 7.78 3.82 0.00 1.66 1.62 0.88 0.85 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 0.00 139 D 7.76 4.44 0.00 2.83 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 7.70 4.05 0.00 2.08 1.85 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.18 3.50 1.54 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.67 0.00 0.00 142 Q 7.21 3.87 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.25 4.16 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 144 M 8.55 4.40 0.00 2.15 2.21 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 2.64 2.94 0.00 145 G 7.51 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 0.00 0.00 0.00 146 L 8.35 4.03 0.00 1.74 1.67 0.94 0.70 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 0.00 147 Q 8.02 4.10 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 148 N 8.11 4.39 0.00 2.95 2.89 0.00 0.00 6.77 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 7.77 3.97 0.00 3.10 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 8.57 4.11 0.00 2.01 1.71 1.14 0.76 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 0.00 151 Q 8.25 3.99 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.67 4.22 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 7.72 4.41 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 154 I 7.07 4.17 1.88 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 1.21 0.97 0.00 0.00 155 R 7.44 4.63 0.00 1.73 1.79 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 156 E 8.59 4.14 0.00 2.08 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 0.00 2.25 2.34 0.00 157 E 8.30 4.09 0.00 1.95 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 0.00 2.29 2.26 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.