NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1848 8.1627 120.2791 54.7017 33.2362 173.9917 2 K 4.0810 8.5303 128.2833 56.2921 32.7114 175.0814 3 G 4.0097 8.6246 116.1708 44.8700 0.0000 171.3877 4 D 4.6726 8.4342 119.2491 54.0452 42.0623 177.2094 5 T 3.8512 8.9149 123.0345 66.9543 68.5537 176.5625 6 K 3.8029 8.1400 120.7373 59.0726 32.1898 178.8595 7 V 3.8676 8.4970 118.8663 66.2523 31.4521 177.9658 8 I 3.7900 7.7545 119.3953 64.5069 36.9144 178.1286 9 N 4.2403 8.2959 117.2303 56.4542 38.3757 177.0128 10 Y 4.0966 8.0042 117.9728 61.1497 38.0390 178.4466 11 L 3.8567 8.5706 120.1314 58.1719 41.6805 179.5692 12 N 4.3384 8.4825 116.4836 56.0090 38.4467 177.4682 13 K 3.8676 8.0153 121.0701 59.3887 32.3259 178.8546 14 L 3.8154 8.2468 119.5774 57.6605 41.4948 179.0460 15 L 4.0253 7.8308 120.6984 58.2414 41.8699 179.2888 16 G 3.6255 8.1945 105.7063 47.8932 0.0000 175.3924 17 N 4.3805 8.0304 118.9070 56.0565 38.4968 177.2830 18 E 4.1104 8.2933 120.2108 59.3112 29.1590 179.0270 19 L 4.2876 8.0760 118.6366 57.2269 40.7977 179.4043 20 V 3.6118 7.7013 120.5781 64.8206 31.4574 177.9895 21 A 3.9049 8.0767 121.7105 54.8797 18.2129 179.4124 22 I 3.7603 8.1882 118.5768 64.9482 37.1970 178.4590 23 N 4.4246 7.8901 116.0554 56.2618 38.3165 177.4512 24 Q 3.8382 8.3487 121.2331 59.3850 29.0837 177.8140 25 Y 4.2990 8.5090 118.2635 60.9626 37.9796 178.3304 26 F 3.8936 8.4740 121.7537 61.0080 39.6157 176.9532 27 L 3.9374 8.2429 120.0454 58.5672 41.8832 178.3365 28 H 3.7913 8.2878 116.1285 58.9272 28.6612 177.3090 29 A 4.1492 8.1263 122.2875 55.4813 18.2743 179.6735 30 R 3.9230 7.6105 114.9106 58.1890 30.2393 179.1798 31 M 3.4405 7.5067 119.2796 58.1161 31.9141 178.3673 32 F 4.5955 7.4130 117.9387 60.6654 39.1390 177.6889 33 K 3.9525 8.1869 119.0928 59.4533 31.7751 178.2083 34 N 4.2762 7.7436 116.0817 56.5927 39.0016 176.3820 35 W 4.7577 7.8293 117.1572 57.4541 29.0559 177.2258 36 G 3.9866 8.3508 108.2165 46.1445 0.0000 174.2527 37 L 4.7064 7.9358 121.9825 52.6483 38.2095 176.9819 38 K 3.8198 7.9692 122.9245 60.0021 32.6272 177.3747 39 R 3.9900 8.3395 118.8263 59.0641 29.9469 178.4038 40 L 4.1254 7.8243 118.6176 57.2972 41.4799 178.8391 41 N 4.5431 8.1710 116.7020 56.8481 39.0535 176.3082 42 D 4.3747 8.0398 120.2769 57.5612 40.9598 179.2483 43 V 3.3516 7.6308 118.1911 65.8694 31.5136 177.7507 44 E 3.8428 8.4067 119.2832 59.1654 29.5445 177.9704 45 Y 3.9756 8.4134 120.1592 61.0805 38.8909 177.7110 46 H 3.9677 8.2871 118.9611 59.2511 29.8583 177.0429 47 E 3.5535 7.7621 120.4034 58.6188 29.1179 178.9032 48 S 4.0473 7.6058 113.4466 61.5376 62.4163 176.3635 49 I 3.5119 7.1545 122.0625 64.2940 36.7886 177.9411 50 D 4.1813 7.6872 119.5809 57.6273 40.6360 178.8777 51 E 4.0028 8.0896 118.7014 59.6932 29.3701 179.4737 52 M 4.0428 7.9366 118.7058 58.3220 32.0361 178.8633 53 K 3.9461 7.9626 118.5901 59.6455 32.1852 179.0384 54 H 4.0800 8.2276 116.1684 58.8002 28.6057 177.4822 55 A 4.2176 8.2199 122.5580 55.4208 18.2478 178.8868 56 D 4.3049 8.4586 116.7970 57.7439 41.2013 178.8383 57 R 3.8592 7.8958 118.1548 59.4835 30.0766 178.5337 58 Y 4.3408 7.6977 116.3078 61.2935 37.8888 178.8608 59 I 3.7678 8.1500 120.7551 64.7018 37.2631 178.4678 60 E 4.0467 8.3875 119.2708 59.1010 29.1779 179.5392 61 R 4.0370 8.0994 118.9362 59.5078 30.1947 178.3671 62 I 3.7665 8.4204 119.9548 64.6451 37.1444 178.4175 63 L 4.0250 8.1933 119.6499 57.7613 41.2141 179.3874 64 F 4.3530 8.1649 119.7524 61.1460 39.6851 176.4539 65 L 4.3390 8.1837 117.9683 53.8955 41.2170 177.1008 66 E 3.8908 8.0240 117.6575 57.4545 27.0315 174.4620 67 G 3.9515 8.1613 108.0876 43.9979 0.0000 173.6959 68 L 4.5187 8.0166 119.0122 52.0381 42.0392 175.2343 69 P 4.4210 0.0000 0.0000 62.4777 31.7797 175.8355 70 N 4.7471 9.6442 122.3089 52.3438 39.0668 173.8840 71 L 4.6474 8.2789 124.2890 54.6526 42.5620 177.9815 72 Q 4.0872 8.5762 119.8559 58.7411 28.8295 176.4472 73 D 4.6587 8.0452 116.5864 53.0060 41.8769 175.4127 74 L 4.6096 8.2649 125.3454 52.6995 44.2298 176.3351 75 G 3.7965 8.4837 114.9624 44.6509 0.0000 172.3123 76 K 4.0206 8.3113 120.6599 56.0015 32.2829 176.2584 77 L 4.0756 8.4183 127.0753 54.3722 42.2277 176.0309 78 N 4.7787 8.7658 122.2792 51.9241 39.5014 173.2631 79 I 4.3550 8.1681 126.5903 59.6075 38.7500 176.5985 80 G 4.0412 8.6109 114.0389 44.9499 0.0000 172.7809 81 E 4.6580 8.7902 116.9219 56.5217 30.9769 176.4957 82 D 4.9629 7.6613 117.6143 50.2631 44.0312 176.0012 83 V 4.0329 8.5537 119.5858 66.7233 31.3967 177.6308 84 E 3.8139 8.1992 117.9079 59.4403 29.5829 177.9768 85 E 3.9774 8.5424 119.4155 59.6742 29.5892 178.8939 86 M 4.0785 8.5469 117.2225 58.3248 31.3901 178.5206 87 L 4.1219 8.5620 120.6506 57.6127 41.8667 179.5312 88 R 3.8926 8.6608 118.8983 59.3349 29.9948 178.5748 89 S 4.1162 8.2191 113.2010 61.3450 62.3161 175.8293 90 D 4.2160 8.1570 121.7022 57.0891 40.4657 178.4021 91 L 3.9846 8.2006 120.6793 58.3504 42.1669 178.9936 92 A 3.9841 7.9644 120.4296 54.9634 18.2170 179.4241 93 L 3.9414 7.8332 118.5995 58.1620 42.0919 178.9270 94 E 4.0583 8.5123 118.8716 59.5021 29.4714 179.2619 95 L 4.0252 8.1972 119.1109 58.0356 41.7838 179.4184 96 D 4.4850 8.3568 118.8601 57.3357 40.7838 179.0593 97 G 3.6758 8.3590 106.0596 47.7271 0.0000 175.6023 98 A 4.0540 8.4384 123.4515 54.6578 18.4915 179.4638 99 K 3.8260 8.0824 118.1809 59.9929 32.2887 178.7084 100 N 4.4124 8.1031 116.3348 56.2255 38.3334 177.4465 101 L 3.9770 8.0675 120.3441 57.8675 41.7668 179.5598 102 R 3.8900 8.1245 118.0820 59.2896 30.0339 178.7451 103 E 3.8466 8.0341 118.0812 59.3071 29.7233 178.6840 104 A 2.8349 7.7382 120.7303 54.7794 18.3406 179.6977 105 I 3.7303 7.9445 118.6236 64.4720 36.9683 178.9198 106 G 3.5949 7.6276 104.9953 47.8034 0.0000 174.9139 107 Y 4.0643 8.0369 121.6316 60.3514 38.8749 177.4298 108 A 3.8164 8.3425 122.1988 55.4987 18.5178 179.1224 109 D 4.0358 7.9102 116.3350 57.2549 41.0784 178.3232 110 S 4.1629 7.4586 113.2235 60.0152 63.3188 175.7016 111 V 3.9093 6.7847 114.1276 60.7534 31.5435 175.5465 112 H 2.9610 6.8968 113.4562 56.8026 26.9711 176.4320 113 D 4.5273 7.3580 121.4267 53.3343 37.8305 176.1598 114 Y 4.3023 7.4072 121.5530 60.5181 38.3640 178.1376 115 V 3.7375 7.8732 119.9166 64.6284 31.7867 178.3329 116 S 4.1595 8.2787 115.6342 61.5423 62.6475 176.6464 117 R 3.8817 8.1051 121.1384 59.4706 29.9135 178.0766 118 D 4.2897 8.3922 118.0694 57.4805 41.2643 177.6257 119 M 3.9727 8.3091 119.0516 59.2487 32.1134 178.2117 120 M 4.1539 8.2768 118.7362 58.3517 32.1121 178.8525 121 I 3.7433 8.1165 120.3994 64.2221 37.3476 178.2961 122 E 3.9624 8.0855 119.1184 59.4973 29.3368 179.4135 123 I 3.5729 7.6498 119.7957 64.2793 37.0744 178.2440 124 L 3.9714 8.1922 121.5334 58.1078 41.9925 178.9354 125 R 3.9141 8.1131 118.6918 59.5597 29.9634 178.2699 126 D 4.3500 7.9364 118.2764 57.2435 40.7991 178.6657 127 E 3.9066 8.1852 119.1118 59.4090 29.4556 178.6579 128 E 4.0977 8.6210 119.9468 59.4465 29.5105 179.2074 129 G 3.6570 7.8981 104.9080 48.2432 0.0000 175.3086 130 H 4.4326 8.0919 119.1337 58.5866 28.6605 177.8815 131 I 3.8135 8.4366 121.9076 64.5636 37.0116 177.7557 132 D 4.3784 8.4336 118.9683 57.1840 40.9181 178.1349 133 W 4.1385 8.5376 128.6173 60.5250 30.7203 177.5430 134 L 3.6900 8.2519 118.8389 58.0895 41.1948 179.4571 135 E 3.9060 8.3921 118.2459 59.8047 29.3209 179.7498 136 T 3.8077 7.8169 115.5294 66.5389 68.5212 176.5656 137 E 3.7749 7.7572 120.5303 59.4108 28.9806 179.4113 138 L 3.7648 7.8374 119.0421 57.9638 41.5858 179.4525 139 D 4.3172 8.1092 118.6953 57.2285 40.6163 178.8272 140 L 3.9772 8.0169 119.8351 57.7065 41.6545 179.4800 141 I 3.3716 7.4952 119.8441 64.3534 36.7211 178.2829 142 Q 3.9275 7.4080 118.6845 58.9106 28.9434 178.0146 143 K 4.1301 8.0552 119.2217 59.0595 32.3122 178.4386 144 M 4.3942 8.3122 114.4844 54.1149 32.4004 177.3274 145 G 4.0724 7.5455 104.9566 45.7869 0.0000 174.4297 146 L 3.9897 8.3372 120.4879 57.9655 42.1122 179.1827 147 Q 3.9977 8.0265 117.5183 59.2386 28.7894 178.5267 148 N 4.3452 8.1321 116.8942 56.2823 38.3970 176.5893 149 Y 3.9873 7.8583 120.0943 60.6908 39.1055 178.0207 150 L 4.0804 8.3236 120.0464 57.9840 41.6646 179.2346 151 Q 3.9096 8.2246 119.1882 59.1335 28.7129 177.8598 152 A 4.1403 7.7243 119.6134 53.5155 18.6379 178.2224 153 Q 4.3279 7.8701 116.1338 55.6175 29.1940 177.5186 154 I 3.9464 7.4351 121.2124 62.5821 37.4429 176.3279 155 R 4.5928 7.5429 119.7260 53.6514 32.2063 174.7698 156 E 4.0481 8.6339 123.4593 56.0235 30.3064 175.9758 157 E 3.9528 8.6019 123.5373 55.7300 30.3418 176.5908 *158 G 3.7298 8.6119 114.1857 45.8889 0.0000 172.1716 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 4.18 0.00 1.45 1.85 0.00 0.00 0.00 0.00 0.00 0.02 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 4.08 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 8.62 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 8.91 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 1.05 0.00 0.00 2.30 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.83 1.03 7.81 7 V 8.50 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 1.15 0.00 0.00 1.22 0.00 0.00 8 I 7.75 3.79 2.03 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 0.70 0.91 0.00 0.00 9 N 8.30 4.24 0.00 2.72 2.58 0.00 0.00 7.02 7.03 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 10 Y 8.00 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 8.57 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 4.34 0.00 2.88 2.81 0.00 0.00 6.69 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 13 K 8.02 3.87 0.00 1.76 1.95 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 8.25 3.82 0.00 1.06 1.16 0.91 0.48 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 7.83 4.03 0.00 1.68 1.85 1.03 1.09 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 8.19 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.03 4.38 0.00 2.98 2.92 0.00 0.00 7.04 7.70 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 18 E 8.29 4.11 0.00 2.32 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 2.81 2.86 0.00 19 L 8.08 4.29 0.00 1.90 1.94 0.99 0.84 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 7.70 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 8.08 3.90 1.56 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 0.00 0.00 22 I 8.19 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 0.86 0.90 0.00 0.00 23 N 7.89 4.42 0.00 2.92 2.87 0.00 0.00 6.72 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 24 Q 8.35 3.84 0.00 2.00 2.01 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 2.05 0.00 25 Y 8.51 4.30 0.00 3.25 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 26 F 8.47 3.89 0.00 3.46 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 27 L 8.24 3.94 0.00 1.95 1.58 0.89 0.85 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 8.29 3.79 0.00 3.44 3.22 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 8.13 4.15 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 30 R 7.61 3.92 0.00 1.73 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 1.25 1.56 0.00 31 M 7.51 3.44 0.00 0.95 1.57 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.41 4.60 0.00 3.32 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.19 3.95 0.00 1.94 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.74 4.28 0.00 2.71 2.67 0.00 0.00 7.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 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 37 L 7.94 4.71 0.00 2.14 1.65 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 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 1.58 7.81 39 R 8.34 3.99 0.00 2.08 1.98 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 7.82 4.13 0.00 1.72 1.09 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.54 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 8.04 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 -0.61 0.00 0.00 0.66 0.00 0.00 44 E 8.41 3.84 0.00 2.55 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 2.80 2.77 0.00 45 Y 8.41 3.98 0.00 3.03 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 7.76 3.55 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 1.95 2.09 0.00 48 S 7.61 4.05 0.00 3.92 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 49 I 7.15 3.51 1.71 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.70 0.78 0.00 0.00 50 D 7.69 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 2.20 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 2.70 0.00 52 M 7.94 4.04 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.03 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 7.96 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 8.23 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 8.22 4.22 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 8.46 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 7.90 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 7.70 4.34 0.00 3.23 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 8.15 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 1.58 0.79 0.95 0.00 0.00 60 E 8.39 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 2.63 0.00 61 R 8.10 4.04 0.00 2.12 2.24 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 3.77 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 0.99 0.00 0.00 63 L 8.19 4.02 0.00 2.09 1.80 0.95 0.94 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 8.16 4.35 0.00 3.02 3.36 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 65 L 8.18 4.34 0.00 1.81 1.62 0.99 0.60 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 8.02 3.89 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 67 G 8.16 3.95 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 0.00 0.00 0.00 68 L 8.02 4.52 0.00 1.62 1.63 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 9.64 4.75 0.00 2.60 2.81 0.00 0.00 7.10 8.42 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 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 8.58 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 8.05 4.66 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 8.26 4.61 0.00 1.52 1.50 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.48 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 1.79 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 8.42 4.08 0.00 1.64 1.56 0.90 0.99 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 8.77 4.78 0.00 2.64 2.71 0.00 0.00 7.17 8.02 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 79 I 8.17 4.35 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 4.96 0.00 2.77 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 83 V 8.55 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 1.11 0.00 0.00 1.23 0.00 0.00 84 E 8.20 3.81 0.00 2.01 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 2.26 0.00 85 E 8.54 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 2.18 1.73 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.96 0.00 87 L 8.56 4.12 0.00 1.99 1.77 1.28 0.85 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 88 R 8.66 3.89 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 8.22 4.12 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 8.16 4.22 0.00 3.05 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 91 L 8.20 3.98 0.00 1.80 1.87 0.98 0.93 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 7.96 3.98 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 7.83 3.94 0.00 1.86 1.82 0.91 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 8.51 4.06 0.00 2.28 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 2.72 0.00 95 L 8.20 4.03 0.00 2.02 1.75 0.96 1.40 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 8.36 3.68 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 0.00 0.00 0.00 98 A 8.44 4.05 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 99 K 8.08 3.83 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 8.10 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.56 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 0.00 101 L 8.07 3.98 0.00 1.99 1.73 0.98 0.79 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 8.12 3.89 0.00 1.97 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 8.03 3.85 0.00 2.07 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 2.39 2.39 0.00 104 A 7.74 2.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.85 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 1.46 0.93 0.91 0.00 0.00 106 G 7.63 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 8.04 4.06 0.00 3.18 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 0.00 108 A 8.34 3.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.91 4.04 0.00 2.75 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 0.00 110 S 7.46 4.16 0.00 3.95 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 6.78 3.91 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 0.51 0.00 0.00 0.71 0.00 0.00 112 H 6.90 2.96 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 7.36 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 7.41 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 3.74 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 8.28 4.16 0.00 4.20 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 2.16 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 8.39 4.29 0.00 2.93 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 8.31 3.97 0.00 2.25 2.04 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 2.49 2.48 0.00 120 M 8.28 4.15 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.29 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 3.74 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 8.09 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 7.65 3.57 1.95 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 1.10 0.78 0.70 0.00 0.00 124 L 8.19 3.97 0.00 1.85 1.83 1.00 0.81 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 8.11 3.91 0.00 2.05 2.12 0.00 3.15 0.00 0.00 3.17 7.56 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 7.94 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 8.19 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 2.58 2.52 0.00 128 E 8.62 4.10 0.00 2.30 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 7.90 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.09 4.43 0.00 3.63 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 3.81 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 8.43 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 4.14 0.00 3.54 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 8.25 3.69 0.00 2.01 1.75 1.24 1.25 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 3.91 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 7.82 3.81 4.21 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 1.18 0.00 0.00 137 E 7.76 3.77 0.00 1.50 1.68 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 1.47 1.47 0.00 138 L 7.84 3.76 0.00 1.75 1.61 0.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.11 4.32 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 1.02 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 3.37 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.68 0.00 0.00 142 Q 7.41 3.93 0.00 1.99 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 8.06 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 8.31 4.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 145 G 7.55 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 8.34 3.99 0.00 1.74 1.66 0.95 0.68 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 8.03 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 8.13 4.35 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 7.86 3.99 0.00 3.07 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 8.32 4.08 0.00 2.07 1.70 1.07 0.92 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 8.22 3.91 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.72 4.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.87 4.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 154 I 7.44 3.95 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.