NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4116 8.2893 120.3486 55.3671 33.0408 174.6900 2 N 4.6629 8.5847 124.0963 51.3973 38.9359 173.0159 3 I 4.5740 8.8172 121.2953 59.5722 41.8047 176.2744 4 I 4.3591 8.3410 124.2704 59.6176 38.3521 175.1258 5 K 4.4558 8.5934 124.8139 54.3901 34.1103 176.2069 6 A 4.5736 8.3847 126.3212 50.7860 20.9251 175.0648 7 N 5.0609 8.2148 117.0293 51.9282 41.4279 174.9750 8 V 3.8452 8.1917 114.4782 62.7064 32.2795 176.7562 9 A 4.2855 8.0934 123.6222 52.0636 18.7402 177.9584 10 A 4.6183 8.2846 122.0184 51.2829 21.4951 174.1037 11 P 4.8046 0.0000 0.0000 64.7648 32.2087 178.7586 12 D 4.7654 8.0781 116.0165 54.2750 40.5588 175.7780 13 A 4.6429 7.6074 124.6258 51.7820 20.3431 178.2599 14 R 4.8396 9.5541 120.5128 55.0927 32.7247 175.9516 15 V 4.9524 8.9129 124.2251 59.9831 34.9891 173.9351 16 A 4.8608 8.4308 128.2920 50.0650 21.5563 175.0990 17 I 4.7948 8.6283 124.1234 59.6521 39.3141 174.7195 18 T 4.7398 8.5762 117.8550 60.0046 70.7502 173.4523 19 I 5.1504 8.2639 126.5303 58.2614 40.4626 174.5119 20 A 5.0151 8.4322 127.8533 51.3399 19.0870 177.9506 21 R 4.4221 9.3245 119.7037 58.4557 30.2567 176.9639 22 F 4.5740 8.2014 121.2220 60.0570 39.6276 174.3658 23 N 4.6804 9.8568 123.8999 54.4475 35.5693 176.0552 24 Q 4.1552 8.3233 120.4600 59.5272 28.0273 178.0746 25 F 3.8823 8.5133 121.4332 61.0852 39.4404 176.3797 26 I 4.2099 8.2920 118.7839 63.6976 37.8499 177.7493 27 N 4.3775 8.2869 116.6177 56.2762 38.2730 176.9405 28 D 4.5792 8.7989 120.9704 57.6428 41.0135 178.8166 29 S 4.0702 7.9650 112.9681 61.0428 62.4380 175.4182 30 L 4.0593 7.8623 123.2453 58.6213 41.6382 178.3869 31 L 3.8587 8.3084 120.4144 57.7008 42.0029 178.5619 32 D 4.5057 8.4615 118.6435 57.3675 40.9319 179.6979 33 G 3.6244 8.1342 105.7143 47.8101 0.0000 175.2752 34 A 3.9265 7.8197 123.3419 54.7603 18.4321 179.2615 35 V 3.4287 7.9202 116.6873 66.3510 31.5522 177.2234 36 D 4.3198 8.2132 117.0625 57.8964 40.9587 177.9730 37 A 3.9008 8.3493 120.6769 55.8420 18.3723 179.0448 38 L 3.8543 8.6289 116.2591 59.1661 41.8909 179.9125 39 T 4.1660 8.3126 110.8133 64.2182 68.6266 176.3187 40 R 3.8625 8.2062 123.1723 58.1163 30.3205 178.2567 41 I 4.2558 7.7573 118.0607 63.3944 38.1913 177.7005 42 G 3.8527 7.8157 103.6361 44.2518 0.0000 173.9850 43 Q 3.8532 8.0071 118.7443 56.4929 26.7237 173.2445 44 V 3.9472 7.5168 118.7483 62.3269 32.2359 175.2311 45 K 4.3422 8.5771 128.8884 56.2058 32.5276 176.7330 46 D 4.7548 8.8221 124.1238 54.0246 38.9673 176.1906 47 D 4.8319 8.0003 116.8486 53.7642 40.1791 176.2261 48 N 4.6986 8.6499 117.6777 53.7190 39.3290 174.1218 49 I 4.9136 7.5955 120.2446 60.2658 38.3788 175.1729 50 T 4.7081 8.8680 117.5291 59.6960 71.8427 173.0743 51 V 4.6032 8.4016 123.6996 61.0816 34.1277 174.5803 52 V 4.2907 8.8926 128.7737 60.7762 33.5790 174.5327 53 W 4.8806 8.9536 129.1215 56.6397 29.5539 176.5475 54 V 4.3697 8.7651 119.2415 59.0915 33.6792 174.7690 55 P 4.3235 0.0000 0.0000 65.0867 31.3772 176.9246 56 G 4.5142 7.9659 108.4358 42.7522 0.0000 174.0931 57 A 4.0906 8.4849 120.7021 54.8637 18.0817 179.2888 58 Y 4.2067 8.1592 117.0385 60.6015 39.2486 177.3674 59 E 4.1258 8.2318 118.8217 57.9537 29.6682 178.4841 60 L 3.8942 7.5226 119.4795 58.2298 41.6280 177.0177 61 P 4.1748 0.0000 0.0000 64.6912 31.1325 178.0153 62 L 3.8335 7.6644 117.9969 58.4642 42.3976 179.2560 63 A 3.9836 7.8078 120.1155 55.6723 18.3119 179.8498 64 T 3.8236 8.0968 108.0989 64.4869 68.6846 176.2148 65 E 3.8396 8.9150 122.6540 59.1652 29.6612 178.2374 66 A 4.0093 7.9476 120.6464 55.6114 18.1756 179.5372 67 L 4.0805 7.6173 115.0266 57.9982 41.9744 179.5002 68 A 4.2316 8.3270 120.7577 55.1280 18.2140 179.8595 69 K 3.9468 8.2275 116.2773 59.5529 32.1323 179.0218 70 S 4.2006 8.1380 113.0163 59.4106 62.0266 175.8968 71 G 3.9505 8.5448 110.3916 46.3793 0.0000 176.0775 72 K 3.8980 7.7061 120.2859 56.2936 31.8590 182.1537 73 Y 5.1161 6.9648 114.0491 56.8669 40.6454 175.5277 74 D 4.7096 9.1716 122.2035 55.9951 41.7753 176.4941 75 A 4.5278 7.3473 117.4747 51.2510 22.4097 175.0762 76 V 4.7072 8.2432 120.4170 61.0322 34.5572 174.4665 77 V 4.4010 8.7880 128.0957 61.3816 33.5701 174.0987 78 A 4.9427 8.5664 130.0534 49.6340 20.9219 175.1512 79 L 5.2534 7.9183 123.1344 52.5990 44.5337 176.3498 80 G 4.2181 7.7198 108.3063 45.9539 0.0000 171.8781 81 T 5.0842 8.5212 116.0382 61.5221 72.0426 174.3297 82 V 4.2120 8.9917 125.4203 61.2832 33.9388 173.8195 83 I 4.7441 8.1635 128.5343 59.6379 38.6013 175.9681 84 R 3.6669 8.4759 127.9057 56.5870 30.2270 176.3843 85 G 4.3845 8.3803 116.4549 44.4129 0.0000 173.1051 86 G 3.6485 8.7756 107.8086 47.4400 0.0000 173.2999 87 T 4.5412 7.6014 108.2874 59.7017 71.5224 173.4342 88 A 4.4805 8.3684 121.4450 52.7426 18.8048 178.6787 89 H 4.2709 8.3434 120.1957 60.3960 29.7515 176.8827 90 F 4.0076 8.4912 121.9237 61.6176 39.0481 176.6571 91 E 3.6380 8.0438 118.4608 59.4593 29.3448 178.3105 92 Y 4.3364 7.3876 115.8506 60.7482 38.2428 177.3622 93 V 3.6761 7.7158 119.4731 65.7430 31.5455 177.7147 94 A 4.0731 7.8755 120.2007 55.2944 18.1111 179.6406 95 G 3.6311 8.0526 104.5111 47.7433 0.0000 176.0244 96 G 3.8656 8.6741 108.2083 45.7631 0.0000 174.8318 97 A 4.2421 7.8969 122.9850 54.4444 19.6035 179.1441 98 S 4.1849 8.2694 111.8551 61.8734 62.3495 176.2790 99 N 4.4289 8.5852 119.4972 56.0332 38.3131 177.3126 100 G 3.7849 7.7062 106.3530 48.1881 0.0000 175.4631 101 L 3.9957 8.1330 121.5821 57.1844 41.8532 179.6228 102 A 3.9832 8.0546 120.6040 55.0686 18.2870 179.5267 103 S 3.9635 8.3802 111.8963 61.5270 62.4430 176.1557 104 V 3.5421 7.7136 120.7292 66.2848 31.1578 177.6784 105 A 4.3937 7.8224 121.1527 54.8293 17.9984 179.4558 106 Q 3.9174 7.6732 116.2197 59.0940 29.1378 177.7183 107 D 4.5410 8.0439 119.4698 56.9272 41.3009 178.5089 108 S 4.3436 8.3471 113.0540 58.7280 63.4247 175.4802 109 G 3.8781 8.0232 109.3692 45.7745 0.0000 173.6994 110 V 3.9836 7.6057 120.9305 61.5689 33.0245 173.6212 111 P 4.5866 0.0000 0.0000 62.6418 32.5252 175.1610 112 V 4.8334 8.3928 123.4731 61.0294 34.0397 174.2370 113 A 4.4415 8.8271 130.3485 50.9018 20.3511 176.3143 114 F 4.7969 8.9974 126.9296 56.3665 38.3007 175.8930 115 G 3.9323 8.0471 117.8526 44.9511 0.0000 171.1402 116 V 4.5778 6.1195 117.6349 60.5230 33.8357 176.1022 117 L 4.2398 8.8147 129.6448 55.1955 42.7307 176.7329 118 T 5.2476 8.4763 112.7838 59.9291 68.8278 172.5700 119 T 4.6116 8.7151 121.1166 61.0312 71.9706 175.2858 120 E 4.1270 9.7809 120.6285 57.2802 30.4558 177.2029 121 S 4.7182 7.5921 112.0695 55.5718 67.6577 174.8010 122 I 3.6792 8.2241 123.0464 64.2832 36.5966 177.8951 123 E 3.9159 8.2203 118.9718 59.8346 29.6739 178.6512 124 Q 4.2845 8.0764 117.2606 58.8412 28.7607 178.6681 125 A 4.0164 7.7818 121.8943 55.4130 18.3366 179.6662 126 I 3.7426 7.8931 118.1824 64.7443 37.1327 178.5384 127 E 4.5571 8.0619 120.1419 58.1007 29.2904 178.4316 128 R 4.5388 7.9507 115.8005 55.7015 30.4784 176.7508 129 A 4.7803 7.2253 121.9062 52.6621 19.4567 177.0376 130 G 4.4487 7.9653 108.1367 48.1155 0.0000 175.3873 131 T 4.5830 7.5689 114.9414 60.0288 68.9289 175.8208 132 K 3.8046 9.1475 117.0822 59.3224 31.8340 177.8591 133 A 4.5971 7.7611 119.3113 52.0019 20.1053 178.9890 134 G 3.7210 8.3176 110.2015 47.6154 0.0000 174.3793 135 N 5.2594 8.2450 118.1265 50.8792 40.9900 175.3354 136 K 4.0132 8.9405 128.9362 59.2156 32.0940 178.9609 137 G 4.0693 8.2740 107.7043 47.3333 0.0000 175.5564 138 A 4.0454 7.8884 123.3002 54.3490 18.4623 179.2561 139 E 3.8526 8.3174 117.7901 59.3545 29.7590 178.8749 140 A 4.0740 8.5987 122.4518 54.3718 18.3851 179.4095 141 A 3.9027 8.1650 119.4643 55.3043 18.4274 179.8876 142 L 3.9194 8.0559 117.6935 58.2376 41.3875 179.9685 143 T 3.9451 8.0871 109.2495 64.4519 68.5045 176.2762 144 A 3.9890 7.9403 123.9855 55.0854 18.3406 179.0826 145 L 3.8742 7.8702 117.0670 58.2146 41.7582 179.2688 146 E 4.0843 8.5611 119.0994 60.0039 29.3872 178.9971 147 M 4.0499 8.0082 118.1096 58.3352 31.9162 178.3998 148 I 3.6956 7.7711 119.9506 64.7969 37.2897 178.1046 149 N 4.2993 7.9285 116.6740 56.3456 38.2087 177.4017 150 V 3.5852 7.8319 118.6848 66.2874 31.6757 177.8736 151 L 4.0795 8.2774 118.5348 57.7677 41.3846 179.1532 152 K 3.8257 8.1693 118.6274 59.5625 32.1019 177.0226 153 A 4.4657 8.1976 120.3541 51.7662 19.3979 177.2548 154 I 3.8839 7.9049 121.1434 63.1720 37.7346 173.9623 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.82 4.57 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.34 4.36 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.59 4.46 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.57 1.23 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 0.00 0.00 0.00 7 N 8.21 5.06 0.00 2.66 2.68 0.00 0.00 6.99 7.71 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 8 V 8.19 3.85 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 0.80 0.00 0.00 0.93 0.00 0.00 9 A 8.09 4.29 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 10 A 8.28 4.62 1.26 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 0.00 0.00 11 P 0.00 4.80 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.77 0.00 2.69 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 13 A 7.61 4.64 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.55 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.91 4.95 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 1.00 0.00 0.00 0.95 0.00 0.00 16 A 8.43 4.86 0.25 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 0.00 0.00 0.00 0.00 0.00 17 I 8.63 4.79 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.69 0.00 0.00 18 T 8.58 4.74 4.13 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 1.09 0.00 0.00 19 I 8.26 5.15 0.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.08 0.29 0.00 0.00 20 A 8.43 5.02 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 21 R 9.32 4.42 0.00 2.07 2.49 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.20 4.57 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.86 4.68 0.00 2.98 3.00 0.00 0.00 6.87 8.23 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 24 Q 8.32 4.16 0.00 2.52 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 3.88 0.00 3.13 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 26 I 8.29 4.21 2.12 0.00 0.00 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 1.67 1.00 0.95 0.00 0.00 27 N 8.29 4.38 0.00 2.88 2.93 0.00 0.00 7.08 8.08 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 28 D 8.80 4.58 0.00 2.66 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 29 S 7.96 4.07 0.00 3.81 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 30 L 7.86 4.06 0.00 1.92 1.64 0.95 0.40 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 31 L 8.31 3.86 0.00 1.79 1.77 0.76 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.46 4.51 0.00 2.87 2.71 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 33 G 8.13 3.62 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 0.00 0.00 0.00 34 A 7.82 3.93 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 35 V 7.92 3.43 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 0.97 0.00 0.00 0.91 0.00 0.00 36 D 8.21 4.32 0.00 2.83 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 37 A 8.35 3.90 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 38 L 8.63 3.85 0.00 1.84 1.73 0.89 0.69 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 39 T 8.31 4.17 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 1.24 0.00 0.00 40 R 8.21 3.86 0.00 1.84 2.23 0.00 3.24 0.00 0.00 3.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.76 4.26 2.06 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 1.45 0.97 0.91 0.00 0.00 42 G 7.82 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 43 Q 8.01 3.85 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.52 3.95 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 0.93 0.00 0.00 1.03 0.00 0.00 45 K 8.58 4.34 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.82 4.75 0.00 2.83 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 47 D 8.00 4.83 0.00 2.78 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 48 N 8.65 4.70 0.00 2.86 2.99 0.00 0.00 6.92 7.28 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 49 I 7.60 4.91 1.88 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 1.40 0.52 0.89 0.00 0.00 50 T 8.87 4.71 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 51 V 8.40 4.60 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 0.48 0.00 0.00 0.83 0.00 0.00 52 V 8.89 4.29 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.95 4.88 0.00 3.21 3.20 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 54 V 8.77 4.37 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 0.80 0.00 0.00 1.02 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.97 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 4.09 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 58 Y 8.16 4.21 0.00 2.92 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 59 E 8.23 4.13 0.00 2.01 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 2.64 2.57 0.00 60 L 7.52 3.89 0.00 1.78 1.71 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.02 1.85 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 62 L 7.66 3.83 0.00 1.63 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.98 1.31 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 0.00 0.00 64 T 8.10 3.82 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 1.26 0.00 0.00 65 E 8.92 3.84 0.00 2.00 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 0.00 2.31 2.33 0.00 66 A 7.95 4.01 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 67 L 7.62 4.08 0.00 1.77 1.65 0.63 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.33 4.23 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.23 3.95 0.00 1.87 1.90 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.60 7.81 70 S 8.14 4.20 0.00 3.92 4.22 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 71 G 8.54 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 72 K 7.71 3.90 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.96 5.12 0.00 3.09 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 74 D 9.17 4.71 0.00 2.55 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 75 A 7.35 4.53 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 76 V 8.24 4.71 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 0.92 0.00 0.00 0.85 0.00 0.00 77 V 8.79 4.40 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.57 4.94 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 79 L 7.92 5.25 0.00 1.38 1.40 0.80 0.64 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 80 G 7.72 4.22 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 0.00 81 T 8.52 5.08 4.31 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 1.20 0.00 0.00 82 V 8.99 4.21 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 0.86 0.00 0.00 0.86 0.00 0.00 83 I 8.16 4.74 1.85 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 1.24 0.69 0.86 0.00 0.00 84 R 8.48 3.67 0.00 0.67 1.38 0.00 3.07 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.38 4.38 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 0.00 86 G 8.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.60 4.54 4.31 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 1.24 0.00 0.00 88 A 8.37 4.48 1.31 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 0.00 0.00 89 H 8.34 4.27 0.00 3.27 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.01 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.04 3.64 0.00 1.94 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 2.01 2.18 0.00 92 Y 7.39 4.34 0.00 2.98 2.88 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 93 V 7.72 3.68 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 1.04 0.00 0.00 0.72 0.00 0.00 94 A 7.88 4.07 0.95 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 95 G 8.05 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 96 G 8.67 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.90 4.24 1.46 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 0.00 0.00 98 S 8.27 4.18 0.00 3.72 3.89 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 99 N 8.59 4.43 0.00 2.79 2.83 0.00 0.00 6.95 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 0.00 100 G 7.71 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.00 0.00 1.89 1.82 1.02 0.90 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 0.00 102 A 8.05 3.98 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 0.00 103 S 8.38 3.96 0.00 3.95 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.71 3.54 2.23 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 1.04 0.00 0.00 0.94 0.00 0.00 105 A 7.82 4.39 1.46 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 0.00 0.00 106 Q 7.67 3.92 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.04 4.54 0.00 2.70 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 0.00 108 S 8.35 4.34 0.00 4.02 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 0.00 109 G 8.02 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 0.00 0.00 0.00 110 V 7.61 3.98 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.59 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.83 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 0.81 0.00 0.00 0.97 0.00 0.00 113 A 8.83 4.44 1.27 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 0.00 0.00 0.00 114 F 9.00 4.80 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.05 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 116 V 6.12 4.58 1.23 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 0.67 0.00 0.00 -0.08 0.00 0.00 117 L 8.81 4.24 0.00 1.61 1.58 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.48 5.25 4.44 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 1.23 0.00 0.00 119 T 8.72 4.61 4.41 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 1.24 0.00 0.00 120 E 9.78 4.13 0.00 1.96 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 2.31 2.30 0.00 121 S 7.59 4.72 0.00 3.95 3.86 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 0.00 122 I 8.22 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.87 0.00 0.00 123 E 8.22 3.92 0.00 1.93 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 0.00 2.30 2.50 0.00 124 Q 8.08 4.28 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.78 4.02 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 0.00 126 I 7.89 3.74 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.15 0.99 0.00 0.00 127 E 8.06 4.56 0.00 2.27 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 2.34 2.38 0.00 128 R 7.95 4.54 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.23 4.78 1.26 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 0.00 0.00 130 G 7.97 4.45 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 0.00 131 T 7.57 4.58 4.25 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 0.00 0.00 1.28 0.00 0.00 132 K 9.15 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.76 4.60 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 0.00 134 G 8.32 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 0.00 135 N 8.25 5.26 0.00 2.69 2.65 0.00 0.00 6.93 6.76 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 0.00 136 K 8.94 4.01 0.00 1.82 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.27 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 0.00 138 A 7.89 4.05 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 0.00 139 E 8.32 3.85 0.00 2.05 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 2.31 2.32 0.00 140 A 8.60 4.07 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 0.00 141 A 8.16 3.90 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.06 3.92 0.00 1.99 1.72 0.91 0.50 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 0.00 143 T 8.09 3.95 4.25 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 0.00 0.00 1.24 0.00 0.00 144 A 7.94 3.99 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 0.00 145 L 7.87 3.87 0.00 1.87 1.91 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.56 4.08 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 2.32 2.38 0.00 147 M 8.01 4.05 0.00 2.11 2.36 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 2.63 2.90 0.00 148 I 7.77 3.70 2.05 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 1.69 0.92 0.92 0.00 0.00 149 N 7.93 4.30 0.00 2.90 2.86 0.00 0.00 6.73 8.18 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 0.00 150 V 7.83 3.59 2.22 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 0.83 0.00 0.00 0.97 0.00 0.00 151 L 8.28 4.08 0.00 1.97 1.69 0.93 1.26 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 0.00 152 K 8.17 3.83 0.00 1.82 2.07 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.20 4.47 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 0.00 154 I 7.90 3.88 1.87 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 1.16 0.73 0.91 0.00 0.00