NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1814 8.1633 120.2788 54.6581 33.0922 174.1882 2 K 3.9763 8.5029 126.3631 56.2720 32.4271 175.7329 3 G 3.9391 8.6829 113.6227 44.8438 0.0000 171.9503 4 D 4.5364 8.4796 119.8417 54.4025 41.8726 176.8536 5 T 3.8728 8.9703 123.1386 66.9275 68.5113 176.4282 6 K 3.8381 8.1405 120.8323 59.1749 32.2568 178.7551 7 V 3.9148 8.6762 118.9660 66.2357 31.4321 177.8834 8 I 3.7428 7.8263 119.3939 64.7200 36.9281 178.1201 9 N 4.2893 8.2294 117.0261 56.3919 38.3113 177.1049 10 Y 4.0612 8.0584 118.1203 61.1022 38.0154 178.4973 11 L 3.8714 8.4765 120.2274 58.0819 41.6783 179.4945 12 N 4.3867 8.5648 116.6623 55.9779 38.3928 177.4939 13 K 3.8685 8.1011 121.2971 59.3481 32.3203 178.9400 14 L 3.7940 8.1645 119.6488 57.5210 41.3754 178.9240 15 L 3.9876 7.7393 120.8102 58.2762 42.0119 179.0775 16 G 3.7230 8.1720 105.5581 48.1511 0.0000 175.2139 17 N 4.3486 8.0059 118.9581 56.0686 38.5776 177.4040 18 E 4.0052 8.3451 119.9279 59.3662 29.4065 179.3799 19 L 4.0028 8.1895 119.3089 57.6335 41.5561 179.8052 20 V 3.4638 7.6424 117.4117 65.9780 31.5371 177.9211 21 A 3.2334 7.8918 120.4915 54.7971 18.0942 179.3803 22 I 3.5616 7.9924 118.6227 64.8378 37.2175 178.4043 23 N 4.3565 7.7968 116.8207 56.3423 38.3243 177.4137 24 Q 3.8735 8.1645 121.2023 59.4850 29.0834 177.9084 25 Y 4.6050 8.2970 118.2421 60.8611 37.9660 178.0722 26 F 3.8098 8.4759 121.8519 61.0494 39.5247 176.9630 27 L 3.9562 8.2170 120.0216 58.5499 41.8539 178.4997 28 H 3.8318 8.3475 116.0542 58.6764 28.5493 177.4270 29 A 4.0623 8.0874 122.6160 55.5048 18.1822 179.8375 30 R 3.8537 7.6196 115.2257 58.4733 30.1284 179.2362 31 M 3.4530 7.7356 119.2766 58.1731 31.8584 178.3613 32 F 4.6372 7.5716 118.0339 60.6737 39.0201 177.7234 33 K 3.9282 8.2550 119.0987 59.5743 31.8274 178.1012 34 N 4.2382 7.9763 116.1848 56.6662 38.8938 176.0976 35 W 4.8307 7.9759 116.8476 57.0375 29.1091 177.1197 36 G 3.9837 8.5216 108.4640 45.9837 0.0000 174.2933 37 L 4.7244 8.2206 122.7463 52.6458 40.4536 177.0065 38 K 3.8681 8.1448 123.6409 59.6224 32.5879 177.6177 39 R 3.9042 8.1349 118.7832 59.4638 29.9068 178.5316 40 L 4.0558 7.7633 118.3810 57.5131 41.5528 178.6505 41 N 4.4385 8.3324 117.1127 56.8317 38.9121 176.5072 42 D 4.4051 8.1901 120.1179 57.4980 40.9777 179.0717 43 V 3.3659 7.6553 118.4057 65.9440 31.4740 177.6707 44 E 3.8591 8.5390 119.4567 59.3394 29.4980 178.1112 45 Y 3.9454 8.3828 119.9757 61.1097 38.9417 177.7871 46 H 4.0995 8.3821 116.7387 58.2232 28.7955 177.4360 47 E 3.8236 8.1138 121.8496 58.9537 29.4418 178.5495 48 S 4.2244 8.1715 113.3349 61.5427 62.4957 176.1824 49 I 3.5693 7.5613 122.4028 64.4644 36.7825 178.0716 50 D 4.2650 7.9372 119.5544 57.5349 40.5599 178.8383 51 E 4.0690 8.1981 118.7001 59.3097 29.3598 179.2779 52 M 4.0339 7.8715 119.0307 58.2759 31.9948 178.7478 53 K 3.8996 8.0763 118.5898 59.7970 32.2157 179.1006 54 H 4.1102 8.0488 116.1458 58.7687 28.5857 177.6068 55 A 4.2269 8.3489 122.8757 55.3406 18.1629 179.1115 56 D 4.2900 8.3041 116.5046 57.5902 41.3070 178.7282 57 R 3.8583 7.9242 118.4941 59.4116 30.0557 178.6629 58 Y 4.3147 7.8309 116.4042 61.1589 37.9119 178.5861 59 I 3.7577 8.2439 121.0677 64.6880 37.1912 178.3882 60 E 4.0409 8.4138 119.3377 59.3028 29.1797 179.5096 61 R 4.0305 8.2156 118.7921 59.5077 30.1413 178.5407 62 I 3.7631 8.4009 120.0083 64.4688 37.1055 178.4550 63 L 4.0028 8.1496 119.7218 57.7807 41.2593 179.2733 64 F 4.3447 8.4053 119.7662 61.2580 39.6821 176.3777 65 L 4.5078 8.0626 117.5816 53.9232 41.2116 177.3218 66 E 3.8644 8.0171 117.6757 57.2524 27.0685 174.5707 67 G 3.9374 8.0085 109.0179 44.1312 0.0000 173.6013 68 L 4.5348 8.0160 119.2460 52.0017 42.1064 175.0659 69 P 4.3666 0.0000 0.0000 62.5395 31.7684 175.9823 70 N 4.7084 9.6847 122.4637 52.4094 38.7565 173.9966 71 L 4.6103 8.2957 124.2270 54.5244 42.4946 177.5040 72 Q 4.0930 8.5093 121.9541 57.9978 29.3133 175.8031 73 D 4.6757 8.0783 117.4390 52.6204 41.9401 175.2337 74 L 4.5260 8.2917 125.7641 52.6976 43.7945 176.2101 75 G 3.8069 8.4563 115.3662 44.6756 0.0000 171.9688 76 K 4.0352 8.3050 120.6874 56.1044 32.4305 176.5305 77 L 4.2488 8.3062 126.3277 54.5087 42.3645 176.5030 78 N 4.8098 8.7397 120.1514 51.6964 39.1572 172.4601 79 I 4.2358 8.1124 124.1977 59.7742 38.1792 176.6365 80 G 4.0513 8.7689 114.5861 45.1349 0.0000 172.7897 81 E 4.7349 8.6012 117.6483 56.1888 31.0859 176.3674 82 D 4.9103 7.7001 117.9602 50.3043 44.0696 176.0706 83 V 4.0043 8.4086 118.8701 66.5321 31.3602 177.5038 84 E 3.8640 8.2435 118.2015 59.3988 29.5167 178.2228 85 E 3.9780 8.4030 118.8898 59.4282 29.6562 178.7524 86 M 4.0515 8.2446 118.7419 58.4255 32.0092 178.7219 87 L 4.1474 8.2001 119.0961 58.0164 41.7285 179.8314 88 R 3.9297 8.4180 118.3885 59.2430 29.9628 179.1520 89 S 4.1576 8.3436 113.0327 61.3903 62.3650 175.8235 90 D 4.6947 8.4395 121.7029 57.3737 40.5708 178.4953 91 L 3.9433 8.2638 120.6284 58.3203 42.1579 178.9424 92 A 4.0286 8.3666 120.8941 55.0227 18.2667 179.3875 93 L 3.9863 8.0929 118.9802 58.3595 42.1205 179.1025 94 E 4.1165 8.6139 118.7838 59.3633 29.4626 179.3011 95 L 4.0300 8.1873 119.1084 58.0162 41.7688 179.3264 96 D 4.5120 8.3700 118.9452 57.3511 40.6531 179.1698 97 G 3.6397 8.3540 106.1085 47.6276 0.0000 175.7001 98 A 4.0282 8.4912 123.5699 54.6264 18.4856 179.5003 99 K 3.8407 8.0196 118.0783 59.9270 32.3270 178.7206 100 N 4.3905 8.0955 116.4366 56.2683 38.3866 177.3118 101 L 3.9969 8.1658 120.4746 57.9621 41.7512 179.7687 102 R 3.8992 8.2358 118.0953 59.1769 30.0326 178.6712 103 E 3.8318 8.0258 118.2609 59.3297 29.6012 178.7517 104 A 2.8985 7.7320 120.6272 54.8163 18.4271 179.6354 105 I 3.7231 8.0988 118.8625 64.3739 36.9334 178.8886 106 G 3.5953 7.7776 105.5329 47.9781 0.0000 174.8784 107 Y 4.1333 8.0043 122.0111 60.1820 38.8812 177.3713 108 A 3.7865 8.2337 122.1449 55.3011 18.4029 179.0410 109 D 4.1389 7.8319 116.0442 57.4354 41.1150 178.4722 110 S 4.1809 7.5021 112.8179 60.0680 63.2970 175.6679 111 V 3.9842 6.8435 113.9554 60.7273 31.6231 175.6002 112 H 2.7526 7.0701 114.2323 56.5939 26.9027 176.4660 113 D 4.5211 7.2972 121.3878 53.7547 37.9341 176.1094 114 Y 4.3427 7.5496 121.6499 60.3403 38.5103 177.7066 115 V 3.7249 7.8868 120.0102 64.6873 31.7226 178.4832 116 S 4.1770 8.3532 115.7820 61.3267 62.5858 176.4999 117 R 3.8891 8.0362 121.3675 59.5647 29.7875 178.0388 118 D 4.3193 8.3758 117.9097 57.5683 41.3311 177.8225 119 M 4.0030 8.1959 118.6869 59.0379 32.1693 178.1804 120 M 4.1769 8.2503 118.8577 58.2863 32.0724 178.8509 121 I 3.7292 8.1717 120.5662 64.3082 37.2564 178.1984 122 E 3.9750 8.0129 119.1557 59.4907 29.2082 179.5358 123 I 3.5520 7.5769 119.2831 64.2252 37.0683 178.1898 124 L 3.9519 8.1566 121.3797 58.1233 41.9949 178.9865 125 R 3.9023 8.1705 118.6680 59.6054 30.1628 178.2777 126 D 4.4375 8.1955 118.6893 57.4123 40.7997 178.6728 127 E 4.1357 8.4655 119.3627 59.5100 29.4766 179.2392 128 E 4.2680 8.7559 119.2047 59.1842 29.4489 179.5780 129 G 3.6980 8.0850 105.5628 48.1243 0.0000 175.2869 130 H 4.3997 8.2011 120.3351 59.0366 29.8843 177.2674 131 I 3.6975 8.3409 122.1390 64.4677 36.9112 177.8202 132 D 4.3303 8.3590 118.7235 57.0447 41.0116 178.0251 133 W 4.1035 8.2608 128.7579 60.4838 30.7354 177.6271 134 L 3.7750 8.4038 119.0232 58.0343 41.1377 179.3702 135 E 3.8987 8.4926 118.5690 59.7603 29.3023 179.7289 136 T 3.7433 7.9159 115.5569 66.5573 68.5396 176.4727 137 E 3.6837 7.7233 120.5957 59.4314 28.9963 179.4667 138 L 3.7533 7.6836 118.7558 57.8704 41.5566 179.4304 139 D 4.3328 7.9777 118.7785 57.2824 40.6702 178.7522 140 L 3.9485 8.0786 119.7761 57.7400 41.5944 179.5736 141 I 3.3698 7.3751 119.7794 64.3626 36.7434 178.2775 142 Q 3.9126 7.3341 117.9227 58.9967 28.9588 177.9002 143 K 4.1457 8.0694 119.1565 58.6543 32.3118 178.2909 144 M 4.3855 8.3145 114.9454 53.9576 32.5101 177.2482 145 G 4.1026 7.5560 105.6474 45.9634 0.0000 174.3725 146 L 3.9501 8.4259 121.6444 58.0326 42.1804 179.2709 147 Q 3.9722 8.0976 117.4503 59.3468 28.7204 178.7381 148 N 4.3474 8.1367 116.6976 56.3295 38.3781 176.6654 149 Y 3.9190 7.9403 120.1236 60.6196 39.1299 177.8696 150 L 4.0301 8.4520 120.1754 57.9534 41.6615 179.1858 151 Q 3.8840 8.1052 119.1276 59.2069 28.7164 177.9695 152 A 4.0976 7.7274 119.4965 53.6542 18.7032 178.3143 153 Q 4.2298 7.9374 116.4020 55.9297 29.2130 177.3074 154 I 4.1572 7.3044 112.6458 61.5614 38.2335 176.1734 155 R 4.6616 7.5497 119.6803 53.8272 32.4819 175.4760 156 E 4.2431 8.5710 119.4024 55.9869 30.5670 175.6218 157 E 4.4958 8.4199 117.7944 54.3966 31.7113 176.2466 *158 G 3.7099 8.5923 110.1419 45.8783 0.0000 172.3669 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 1.41 1.79 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 2 K 8.50 3.98 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 3 G 8.68 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.48 4.54 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 8.97 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 8.14 3.84 0.00 1.71 2.06 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.54 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.31 0.97 7.81 7 V 8.68 3.91 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 1.09 0.00 0.00 1.18 0.00 0.00 8 I 7.83 3.74 2.06 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 0.59 0.91 0.00 0.00 9 N 8.23 4.29 0.00 2.62 2.67 0.00 0.00 7.08 6.97 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 10 Y 8.06 4.06 0.00 3.22 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 8.48 3.87 0.00 2.02 1.77 1.09 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 8.56 4.39 0.00 2.76 2.81 0.00 0.00 6.69 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.10 3.87 0.00 1.82 1.96 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 8.16 3.79 0.00 0.77 1.18 0.92 0.53 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 7.74 3.99 0.00 1.69 1.84 1.01 1.08 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 8.17 3.72 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 0.00 0.00 0.00 17 N 8.01 4.35 0.00 2.91 2.89 0.00 0.00 7.09 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 8.35 4.01 0.00 2.23 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 2.73 2.86 0.00 19 L 8.19 4.00 0.00 1.79 1.68 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.64 3.46 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 1.10 0.00 0.00 0.95 0.00 0.00 21 A 7.89 3.23 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.99 3.56 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 0.85 0.00 0.00 23 N 7.80 4.36 0.00 2.78 2.83 0.00 0.00 6.76 8.76 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 24 Q 8.16 3.87 0.00 2.02 1.97 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 2.59 2.22 0.00 25 Y 8.30 4.61 0.00 3.02 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.48 3.81 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 8.22 3.96 0.00 1.95 1.60 0.90 0.87 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 8.35 3.83 0.00 3.46 2.98 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 8.09 4.06 1.28 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 0.00 0.00 30 R 7.62 3.85 0.00 1.76 1.87 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.66 0.00 31 M 7.74 3.45 0.00 1.01 1.62 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 2.46 2.18 0.00 32 F 7.57 4.64 0.00 3.29 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 8.26 3.93 0.00 2.07 1.88 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 N 7.98 4.24 0.00 2.65 2.65 0.00 0.00 7.35 8.29 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 35 W 7.98 4.83 0.00 3.74 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 36 G 8.52 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 37 L 8.22 4.72 0.00 1.89 1.62 1.21 0.59 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 38 K 8.14 3.87 0.00 2.02 1.81 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.57 7.81 39 R 8.13 3.90 0.00 2.12 1.99 0.00 3.55 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 40 L 7.76 4.06 0.00 1.69 1.11 1.08 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.33 4.44 0.00 3.10 3.00 0.00 0.00 7.20 7.95 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 42 D 8.19 4.41 0.00 2.89 2.75 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 0.00 0.00 0.00 0.00 43 V 7.66 3.37 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 0.81 0.00 0.00 44 E 8.54 3.86 0.00 2.48 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 2.58 2.55 0.00 45 Y 8.38 3.95 0.00 2.92 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 46 H 8.38 4.10 0.00 3.26 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.11 3.82 0.00 2.10 1.81 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 1.63 1.76 0.00 48 S 8.17 4.22 0.00 4.09 4.02 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 0.00 0.00 0.00 49 I 7.56 3.57 1.82 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.83 0.00 0.00 50 D 7.94 4.26 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.20 4.07 0.00 2.02 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 2.73 2.52 0.00 52 M 7.87 4.03 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 53 K 8.08 3.90 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.05 4.11 0.00 3.41 3.31 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 8.35 4.23 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 56 D 8.30 4.29 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.92 3.86 0.00 1.82 1.76 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 58 Y 7.83 4.31 0.00 3.22 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 8.24 3.76 2.03 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 1.57 0.98 0.95 0.00 0.00 60 E 8.41 4.04 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 2.50 0.00 61 R 8.22 4.03 0.00 2.13 2.20 0.00 3.35 0.00 0.00 3.25 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 8.40 3.76 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.97 0.00 0.00 63 L 8.15 4.00 0.00 2.11 1.79 0.95 0.92 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 8.41 4.34 0.00 2.96 3.39 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 65 L 8.06 4.51 0.00 1.85 1.61 1.04 0.77 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 8.02 3.86 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 67 G 8.01 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.53 0.00 1.59 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.37 0.00 2.05 2.02 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 70 N 9.68 4.71 0.00 2.60 2.80 0.00 0.00 7.08 7.84 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 71 L 8.30 4.61 0.00 1.62 1.63 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.51 4.09 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 D 8.08 4.68 0.00 2.67 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 8.29 4.53 0.00 1.51 1.50 0.88 1.10 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 8.46 3.81 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 0.00 0.00 0.00 76 K 8.31 4.04 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 L 8.31 4.25 0.00 1.65 1.57 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.74 4.81 0.00 2.65 2.74 0.00 0.00 7.15 7.27 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 79 I 8.11 4.24 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.95 0.00 0.00 80 G 8.77 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 81 E 8.60 4.73 0.00 1.98 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 2.33 2.28 0.00 82 D 7.70 4.91 0.00 2.75 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 8.41 4.00 2.18 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 1.15 0.00 0.00 1.21 0.00 0.00 84 E 8.24 3.86 0.00 2.00 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 2.34 2.27 0.00 85 E 8.40 3.98 0.00 2.41 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 2.36 2.39 0.00 86 M 8.24 4.05 0.00 1.80 2.42 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.39 0.00 87 L 8.20 4.15 0.00 2.03 1.71 1.25 0.77 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 88 R 8.42 3.93 0.00 1.86 2.00 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 89 S 8.34 4.16 0.00 4.04 4.19 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 90 D 8.44 4.69 0.00 3.06 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 91 L 8.26 3.94 0.00 1.84 1.89 0.94 1.05 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 8.37 4.03 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 93 L 8.09 3.99 0.00 1.99 2.05 0.93 0.69 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 94 E 8.61 4.12 0.00 2.25 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 2.69 2.49 0.00 95 L 8.19 4.03 0.00 2.04 1.75 0.95 0.94 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 96 D 8.37 4.51 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 97 G 8.35 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 8.49 4.03 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 99 K 8.02 3.84 0.00 2.13 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.66 7.81 100 N 8.10 4.39 0.00 3.00 2.90 0.00 0.00 7.12 6.72 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 0.00 101 L 8.17 4.00 0.00 1.98 1.75 1.01 1.18 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 0.00 102 R 8.24 3.90 0.00 1.98 1.98 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 1.92 0.00 103 E 8.03 3.83 0.00 2.08 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 2.33 2.38 0.00 104 A 7.73 2.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.10 3.72 1.98 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 0.97 0.92 0.00 0.00 106 G 7.78 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 8.00 4.13 0.00 3.16 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.23 3.79 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 7.83 4.14 0.00 2.87 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 7.50 4.18 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.84 3.98 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 0.48 0.00 0.00 0.64 0.00 0.00 112 H 7.07 2.75 0.00 3.15 3.26 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 7.30 4.52 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.55 4.34 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 0.00 115 V 7.89 3.72 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 0.97 0.00 0.00 0.97 0.00 0.00 116 S 8.35 4.18 0.00 4.20 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 0.00 117 R 8.04 3.89 0.00 1.92 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.38 4.32 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.20 4.00 0.00 2.26 2.02 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 2.48 2.44 0.00 120 M 8.25 4.18 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.85 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 1.54 0.82 0.92 0.00 0.00 122 E 8.01 3.98 0.00 2.10 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 2.32 2.50 0.00 123 I 7.58 3.55 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.72 0.00 0.00 124 L 8.16 3.95 0.00 1.86 1.86 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.17 3.90 0.00 2.07 2.12 0.00 3.16 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 1.64 1.69 0.00 126 D 8.20 4.44 0.00 3.01 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 0.00 127 E 8.47 4.14 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 128 E 8.76 4.27 0.00 2.03 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 2.37 2.53 0.00 129 G 8.09 3.70 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 0.00 0.00 0.00 130 H 8.20 4.40 0.00 3.37 3.56 0.00 5.62 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 8.34 3.70 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.94 0.00 0.00 132 D 8.36 4.33 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.26 4.10 0.00 3.52 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 8.40 3.78 0.00 2.01 1.70 1.22 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.49 3.90 0.00 2.08 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 2.31 2.49 0.00 136 T 7.92 3.74 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 1.14 0.00 0.00 137 E 7.72 3.68 0.00 1.49 1.57 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 1.47 1.47 0.00 138 L 7.68 3.75 0.00 1.69 1.60 0.90 0.84 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 0.00 139 D 7.98 4.33 0.00 2.77 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 0.00 140 L 8.08 3.95 0.00 1.83 1.82 0.92 1.07 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 3.37 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.29 0.71 0.00 0.00 142 Q 7.33 3.91 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 143 K 8.07 4.15 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 144 M 8.31 4.39 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 145 G 7.56 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 8.43 3.95 0.00 1.74 1.66 0.94 0.70 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 0.00 147 Q 8.10 3.97 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 148 N 8.14 4.35 0.00 2.96 2.88 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 7.94 3.92 0.00 3.01 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 0.00 150 L 8.45 4.03 0.00 1.99 1.68 1.03 1.04 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 8.11 3.88 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 2.32 2.36 0.00 152 A 7.73 4.10 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.94 4.23 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 154 I 7.30 4.16 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 1.00 0.00 0.00 155 R 7.55 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 156 E 8.57 4.24 0.00 2.07 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 2.27 2.29 0.00 157 E 8.42 4.50 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 *158 G 8.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.