NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1471 8.1627 120.2757 54.7591 33.2291 173.9061 2 K 3.9500 8.4732 128.1428 56.0228 32.6167 175.1385 3 G 3.9823 8.7054 116.1232 44.9739 0.0000 171.5280 4 D 4.5708 8.4768 119.6033 54.3208 41.8624 177.0037 5 T 3.8664 8.9146 122.9585 66.9028 68.5117 176.5573 6 K 3.8096 8.1625 120.8788 59.1640 32.2589 178.8118 7 V 3.8933 8.6700 119.0556 66.2077 31.3694 178.0784 8 I 3.7855 7.7979 119.3375 64.4427 36.8518 178.0775 9 N 4.2338 8.3052 117.3956 56.4912 38.3452 177.0652 10 Y 4.0780 8.0502 117.9980 61.1155 38.0243 178.3949 11 L 3.8227 8.4543 120.2493 58.1378 41.6772 179.5448 12 N 4.3846 8.4665 116.4993 55.9497 38.4087 177.5038 13 K 3.8739 8.1610 121.3604 59.4008 32.3508 178.8955 14 L 3.8504 8.1688 119.6665 57.6179 41.3809 179.0442 15 L 4.0905 7.8745 120.7510 58.2836 41.9873 179.2917 16 G 3.6060 8.1974 105.6625 47.8515 0.0000 175.3961 17 N 4.3626 8.0640 118.8279 56.2768 38.4989 177.4580 18 E 4.1556 8.4021 120.2119 59.1949 29.3528 179.3151 19 L 4.2195 8.3820 120.3774 58.3225 40.4939 179.7862 20 V 3.6613 7.8331 120.2065 64.6383 31.4085 178.1465 21 A 3.8067 8.0753 121.6094 54.7541 18.1969 179.2936 22 I 3.7374 8.3160 118.6449 65.0330 37.2436 178.3826 23 N 4.3872 7.8103 115.4519 56.3461 38.3665 177.4320 24 Q 3.8311 8.3500 121.3049 59.3386 29.0721 177.8236 25 Y 4.3722 8.4703 118.1889 60.9915 37.9059 178.3446 26 F 3.8461 8.4362 121.6778 61.0713 39.5102 176.8804 27 L 3.9680 8.2128 120.0268 58.5003 41.8239 178.5034 28 H 3.8045 8.2387 115.8185 58.7642 28.6760 177.1787 29 A 4.1592 8.2591 122.8144 55.7966 18.1058 179.9556 30 R 3.8685 7.8053 115.3394 58.6306 30.0695 179.2878 31 M 3.4206 7.7891 119.2867 58.1771 31.8174 178.3136 32 F 4.5762 7.5195 118.1983 60.7836 39.1232 177.8049 33 K 3.9402 8.1109 118.9344 59.4747 31.8024 178.2412 34 N 4.2722 7.9573 116.2599 56.5972 38.9952 176.4081 35 W 4.7533 7.9657 117.5859 57.6378 29.5581 177.2497 36 G 3.9898 8.4300 108.2604 45.9754 0.0000 174.1634 37 L 4.6424 8.1846 121.8392 52.9273 38.2831 177.2463 38 K 3.8111 7.9521 122.6494 60.0177 32.4948 177.3389 39 R 3.9539 8.1603 118.5860 59.1677 30.0679 178.4311 40 L 4.1046 7.7617 118.4183 57.3701 41.5500 178.8022 41 N 4.5328 8.1953 117.0846 56.7554 38.9512 176.5216 42 D 4.3089 8.1604 120.3146 57.4613 40.9879 179.1692 43 V 3.3435 7.6690 118.3885 66.1129 31.4668 178.0100 44 E 3.7965 8.2447 118.2991 59.1526 29.2566 178.6983 45 Y 3.8729 8.1319 119.8285 61.1454 39.0187 178.0738 46 H 4.1262 8.1590 116.7023 58.5628 28.6897 177.6308 47 E 3.6393 7.7541 120.7480 58.7116 29.1397 178.8633 48 S 4.1562 7.8836 113.4415 61.6205 62.4494 176.3234 49 I 3.5640 7.3785 122.2835 64.2273 36.8132 177.8591 50 D 4.1744 7.7114 118.5595 57.5522 41.0293 178.3650 51 E 4.2842 8.1165 120.1088 58.8674 29.2889 179.3053 52 M 4.0514 7.9561 119.1365 58.3024 32.0092 178.7290 53 K 3.8919 7.9690 118.6082 59.7775 32.1873 179.1237 54 H 4.0665 8.0615 115.9830 58.7221 28.5954 177.5545 55 A 4.2153 8.2699 122.7785 55.3252 18.1443 178.9247 56 D 4.3096 8.3299 116.6567 57.8329 41.2579 178.9116 57 R 3.8647 7.8996 118.2700 59.3551 30.0026 178.6343 58 Y 4.3641 7.8126 116.4892 61.2653 37.9107 178.7867 59 I 3.7822 8.2738 121.0139 64.6373 37.2764 178.4623 60 E 4.0743 8.5176 119.5378 59.1414 29.1596 179.5040 61 R 4.0625 8.0240 118.9267 59.4785 30.2565 178.3146 62 I 3.7744 8.4676 119.9733 64.6698 37.1378 178.4153 63 L 4.0690 8.0754 119.6232 57.6927 41.2332 179.3122 64 F 4.3760 8.1162 119.6833 61.2290 39.6803 176.4767 65 L 4.3138 8.2479 117.8295 53.9067 41.1709 177.1631 66 E 3.9018 7.9865 117.5935 57.4296 27.0836 174.4381 67 G 3.9631 8.2734 108.5420 44.0006 0.0000 173.6305 68 L 4.5356 8.0165 119.0488 52.0115 42.0777 175.1564 69 P 4.4024 0.0000 0.0000 62.5211 31.7894 176.0485 70 N 4.7157 9.3720 122.1008 52.4189 38.7220 173.9243 71 L 4.6134 8.3155 124.1407 54.5566 42.4631 177.5279 72 Q 4.1305 8.4523 121.8018 58.2793 29.3521 175.9646 73 D 4.6528 8.0430 116.7668 53.0547 41.8591 175.3339 74 L 4.5839 8.2767 125.1415 52.7380 44.1829 176.3351 75 G 3.7990 8.5100 115.1393 44.6050 0.0000 172.1983 76 K 4.0170 8.3131 120.6655 56.0753 32.3117 176.4027 77 L 4.1336 8.3270 126.7221 54.4342 42.3232 176.2220 78 N 4.8201 8.8934 120.4514 52.0624 40.4599 174.2672 79 I 3.8866 8.5644 126.7385 64.0747 37.7728 178.1404 80 G 4.1695 8.2800 102.2008 45.9493 0.0000 172.5990 81 E 4.7520 8.7043 116.5255 55.7469 31.7866 176.2192 82 D 5.0334 7.7161 117.6876 50.3238 44.0599 176.1056 83 V 4.0275 8.5046 118.7443 66.6251 31.3580 177.2959 84 E 3.8348 8.2465 117.9685 59.5377 29.4494 178.1441 85 E 3.9921 8.6097 119.2523 59.6844 29.6466 178.7736 86 M 4.2481 8.4775 117.2461 58.2263 31.4135 178.5916 87 L 4.1590 8.7041 120.4567 57.6762 41.7557 179.4163 88 R 3.9211 8.5938 119.0867 59.4086 30.0404 178.5740 89 S 4.1147 8.1317 113.1517 61.3204 62.3800 175.8070 90 D 4.2573 8.2012 121.7104 57.1526 40.5605 178.4576 91 L 4.0102 8.2203 120.5999 58.2680 42.1471 178.8218 92 A 4.0163 8.2424 120.8077 55.1189 18.2436 179.4126 93 L 3.9121 7.9072 118.6201 58.3310 42.1415 179.0612 94 E 4.0666 8.4156 118.6103 59.4165 29.5493 179.2642 95 L 4.0424 8.1398 119.0327 58.0981 41.7358 179.4397 96 D 4.5277 8.4271 118.9185 57.1940 40.6374 179.0941 97 G 3.6392 8.3161 106.2875 47.5479 0.0000 175.6940 98 A 4.0229 8.5045 123.5861 54.7004 18.4060 179.5449 99 K 3.8496 7.9611 117.7227 59.9409 32.2622 178.6485 100 N 4.3726 8.1007 116.5465 56.4403 38.3675 177.4342 101 L 3.9767 8.2366 120.4542 57.8007 41.6064 179.6785 102 R 3.8868 8.2952 118.3737 59.1362 30.0055 178.7178 103 E 3.8122 8.1063 118.6004 59.3003 29.6598 178.5154 104 A 2.7546 7.8106 120.9473 54.9349 18.4218 179.6210 105 I 3.7091 7.9220 118.3969 64.5352 37.0485 178.9548 106 G 3.5999 7.8279 106.3643 47.8615 0.0000 175.2141 107 Y 4.0492 8.1917 122.9999 59.7210 38.8424 177.4100 108 A 3.8297 8.2794 122.1561 55.3154 18.5442 179.0796 109 D 4.1051 7.9142 116.2795 57.3817 41.4295 178.5196 110 S 4.1245 7.5108 114.3938 60.2734 62.9602 175.7273 111 V 4.0047 6.7588 114.0194 60.7021 31.4558 175.8388 112 H 2.8120 6.9481 113.8036 56.6872 27.0087 176.4447 113 D 4.5344 7.3826 121.1901 53.4341 37.7209 176.2471 114 Y 4.3389 7.4103 121.3842 60.5665 38.3817 178.2997 115 V 3.7520 7.8396 119.9662 64.7736 31.8419 178.2737 116 S 4.1715 8.3569 115.9633 61.4356 62.6077 176.7200 117 R 3.8904 8.1414 121.1155 59.4908 29.9483 178.0781 118 D 4.3035 8.2733 117.7632 57.5723 41.3904 177.7785 119 M 4.0163 8.3883 119.0548 59.0593 32.1553 178.1521 120 M 4.1809 8.2624 118.8654 58.3703 32.1076 178.8559 121 I 3.7345 8.1265 120.3977 64.3144 37.2591 178.2783 122 E 3.9788 8.0698 119.0217 59.4028 29.2925 179.4781 123 I 3.4865 7.5722 119.3887 64.2486 37.1465 178.1724 124 L 3.9739 8.1103 121.2986 58.1728 41.9831 178.9678 125 R 3.9378 8.0862 118.6347 59.5980 30.0057 178.3031 126 D 4.3637 8.0259 118.6803 57.1531 40.7577 178.7024 127 E 3.9150 8.1749 119.2671 59.3784 29.4851 178.6660 128 E 4.1386 8.7063 119.9601 59.3283 29.5504 179.1617 129 G 3.6551 7.9426 105.2351 48.2352 0.0000 175.3810 130 H 4.4465 8.0773 119.0228 58.5772 28.6814 177.8024 131 I 3.8129 8.4175 122.0491 64.5373 36.9973 177.7388 132 D 4.3730 8.4209 118.8142 57.1870 41.0183 178.2067 133 W 4.1162 8.3591 128.6109 60.5091 30.7500 177.7916 134 L 3.7867 8.5724 119.2382 57.9062 41.1009 179.3868 135 E 3.9142 8.3681 118.4354 59.6991 29.3096 179.6317 136 T 3.7697 7.8057 115.5764 66.5455 68.5382 176.4234 137 E 3.7330 7.6369 120.3877 59.5077 29.0995 179.4598 138 L 3.7867 7.7523 118.7795 57.9612 41.6163 179.4772 139 D 4.3764 8.1727 118.7976 57.1256 40.6334 178.7359 140 L 3.9865 8.0123 119.9223 57.7370 41.7133 179.4955 141 I 3.3881 7.3868 119.7106 64.4771 36.7407 178.5479 142 Q 3.9746 7.3562 116.3542 58.7788 28.5930 178.5618 143 K 4.1438 7.9851 119.0466 58.8253 32.3018 178.4259 144 M 4.3902 8.3610 114.8324 54.0146 32.4801 177.3256 145 G 4.0959 7.4914 105.0193 45.9398 0.0000 174.4278 146 L 3.9357 8.4138 121.2598 58.0443 42.1809 179.2032 147 Q 4.0065 8.1039 117.4579 59.3978 28.8490 178.7682 148 N 4.3746 8.1703 116.6637 56.3689 38.3468 176.7599 149 Y 4.0052 7.7924 120.2515 60.5937 39.1658 177.6900 150 L 4.0670 8.3482 120.2613 57.9453 41.6446 179.2169 151 Q 3.9558 8.1422 119.1642 59.0911 28.7205 177.7308 152 A 4.1847 7.5215 118.7871 53.3185 18.7964 178.1772 153 Q 4.2991 7.9675 116.3731 55.7102 29.2601 177.5965 154 I 4.0134 7.3109 120.9511 62.7232 37.4648 176.5204 155 R 4.6709 7.5549 117.9951 53.7823 32.2484 175.6042 156 E 4.1259 8.4621 119.7681 55.8860 30.5256 175.8780 157 E 4.0350 8.5487 122.4225 55.5236 30.3938 176.6237 *158 G 3.7324 8.6133 114.1846 45.8895 0.0000 172.1605 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 1.48 1.74 0.00 0.00 0.00 0.00 0.00 -0.24 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 2.77 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 1.70 1.96 0.00 1.45 0.00 0.00 1.11 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.58 0.96 7.81 7 V 8.67 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 1.08 0.00 0.00 1.18 0.00 0.00 8 I 7.80 3.79 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 0.68 0.91 0.00 0.00 9 N 8.31 4.23 0.00 2.63 2.63 0.00 0.00 7.05 7.15 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 10 Y 8.05 4.08 0.00 3.20 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.45 3.82 0.00 1.99 1.75 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 8.47 4.38 0.00 2.87 2.82 0.00 0.00 6.69 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 13 K 8.16 3.87 0.00 1.75 1.97 0.00 1.60 0.00 0.00 1.62 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 8.17 3.85 0.00 0.92 1.26 0.91 0.51 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 15 L 7.87 4.09 0.00 1.70 1.85 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.20 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.06 4.36 0.00 3.00 2.92 0.00 0.00 7.04 7.75 0.00 0.00 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 8.40 4.16 0.00 2.27 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 7.83 3.66 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 0.96 0.00 0.00 0.95 0.00 0.00 21 A 8.08 3.81 1.49 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 0.00 0.00 22 I 8.32 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 1.60 0.72 0.90 0.00 0.00 23 N 7.81 4.39 0.00 2.93 2.86 0.00 0.00 6.76 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 24 Q 8.35 3.83 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 25 Y 8.47 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 8.44 3.85 0.00 3.42 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 8.21 3.97 0.00 1.94 1.58 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.24 3.80 0.00 3.56 3.28 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 8.26 4.16 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 7.81 3.87 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 31 M 7.79 3.42 0.00 0.88 1.60 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 2.40 2.13 0.00 32 F 7.52 4.58 0.00 3.30 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.94 0.00 1.97 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 7.96 4.27 0.00 2.68 2.66 0.00 0.00 7.33 8.81 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 35 W 7.97 4.75 0.00 3.74 3.19 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 36 G 8.43 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 8.18 4.64 0.00 2.22 1.69 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.81 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 3.12 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.16 3.95 0.00 2.04 2.00 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 1.07 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.20 4.53 0.00 3.13 3.01 0.00 0.00 7.11 8.26 0.00 0.00 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 8.16 4.31 0.00 2.87 2.74 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 43 V 7.67 3.34 1.73 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 -0.56 0.00 0.00 0.73 0.00 0.00 44 E 8.24 3.80 0.00 2.30 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 3.01 0.00 45 Y 8.13 3.87 0.00 2.93 3.01 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 46 H 8.16 4.13 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 3.64 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 1.80 0.00 48 S 7.88 4.16 0.00 3.97 3.91 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 49 I 7.38 3.56 1.83 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 0.91 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 8.12 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 2.73 2.68 0.00 52 M 7.96 4.05 0.00 2.04 2.23 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 2.74 2.55 0.00 53 K 7.97 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 1.63 7.81 54 H 8.06 4.07 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 8.27 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 8.33 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 7.90 3.86 0.00 1.80 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 7.81 4.36 0.00 3.24 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 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 0.72 0.95 0.00 0.00 60 E 8.52 4.07 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 2.23 0.00 3.36 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 8.47 3.77 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 0.99 0.00 0.00 63 L 8.08 4.07 0.00 2.11 1.79 0.95 1.08 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 8.12 4.38 0.00 2.97 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 8.25 4.31 0.00 1.88 1.63 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 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 8.27 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.54 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.82 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 9.37 4.72 0.00 2.59 2.78 0.00 0.00 7.08 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 4.61 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 8.45 4.13 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 73 D 8.04 4.65 0.00 2.69 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 8.28 4.58 0.00 1.52 1.50 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.51 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 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.55 0.95 0.96 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 8.89 4.82 0.00 2.61 2.69 0.00 0.00 7.19 7.50 0.00 0.00 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 8.28 4.17 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 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 7.72 5.03 0.00 2.81 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 4.03 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 1.00 0.00 0.00 1.25 0.00 0.00 84 E 8.25 3.83 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 8.61 3.99 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 1.76 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 3.06 0.00 87 L 8.70 4.16 0.00 2.03 1.78 1.26 0.71 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 88 R 8.59 3.92 0.00 2.09 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 8.13 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 4.26 0.00 3.14 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 91 L 8.22 4.01 0.00 1.83 1.90 0.99 0.86 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 8.24 4.02 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 7.91 3.91 0.00 1.91 1.80 0.91 0.83 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 8.42 4.07 0.00 2.26 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 8.14 4.04 0.00 2.05 1.75 0.96 1.02 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 8.43 4.53 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 8.32 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 8.50 4.02 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 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 8.10 4.37 0.00 3.00 2.91 0.00 0.00 7.13 6.75 0.00 0.00 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 8.24 3.98 0.00 1.98 1.73 0.98 1.32 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 1.99 0.00 103 E 8.11 3.81 0.00 2.07 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 2.31 2.39 0.00 104 A 7.81 2.75 1.04 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 0.00 105 I 7.92 3.71 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 1.18 0.91 0.00 0.00 106 G 7.83 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 8.19 4.05 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.28 3.83 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 7.91 4.11 0.00 2.88 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 7.51 4.12 0.00 3.93 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 4.00 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 0.51 0.00 0.00 0.64 0.00 0.00 112 H 6.95 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 7.38 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 4.34 0.00 3.11 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 0.00 115 V 7.84 3.75 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 1.08 0.00 0.00 0.97 0.00 0.00 116 S 8.36 4.17 0.00 4.19 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 0.00 117 R 8.14 3.89 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 1.69 1.67 0.00 118 D 8.27 4.30 0.00 3.02 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 8.39 4.02 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.28 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 8.26 4.18 0.00 2.16 2.27 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 2.94 2.82 0.00 121 I 8.13 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 1.00 0.92 0.00 0.00 122 E 8.07 3.98 0.00 1.97 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 7.57 3.49 1.93 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 0.81 0.77 0.00 0.00 124 L 8.11 3.97 0.00 1.84 1.85 0.94 0.87 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 8.09 3.94 0.00 2.01 2.12 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 8.03 4.36 0.00 2.93 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 8.17 3.91 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 8.71 4.14 0.00 2.27 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 3.66 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 8.08 4.45 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 0.84 0.97 0.00 0.00 132 D 8.42 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 8.36 4.12 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 8.57 3.79 0.00 1.97 1.77 1.42 1.41 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 0.00 135 E 8.37 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 7.81 3.77 4.17 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 1.16 0.00 0.00 137 E 7.64 3.73 0.00 1.55 1.65 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 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 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.17 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 8.01 3.99 0.00 1.85 1.84 0.96 1.06 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 7.39 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 -0.13 0.07 0.71 0.00 0.00 142 Q 7.36 3.97 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 143 K 7.99 4.14 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 4.39 0.00 2.18 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 2.61 2.85 0.00 145 G 7.49 4.10 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 0.00 146 L 8.41 3.94 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 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.17 4.37 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 7.79 4.01 0.00 3.02 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 8.35 4.07 0.00 1.95 1.70 1.06 0.93 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 8.14 3.96 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.52 4.18 1.24 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 0.00 0.00 0.00 153 Q 7.97 4.30 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.75 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 154 I 7.31 4.01 1.99 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 4.13 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.