NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4800 8.2893 118.1955 55.3604 32.9062 173.6864 2 D 4.9365 8.6121 119.2133 49.4048 42.2295 173.4247 3 E 4.0014 9.5070 117.6396 59.9948 30.2095 180.1973 4 I 3.7300 7.8150 120.1958 64.2314 37.2032 177.8681 5 D 4.3919 8.5348 119.7542 57.3937 40.5552 178.8414 6 L 4.0303 7.8471 119.0714 57.9400 41.1042 179.8605 7 R 3.9465 8.1011 118.0083 59.1318 29.9162 179.2368 8 I 3.7507 7.8450 119.6560 64.4723 37.1519 178.5239 9 L 3.9899 8.3432 120.2650 57.6187 41.1847 179.4376 10 K 4.0980 8.2278 119.1147 59.2584 32.2788 178.6526 11 I 4.1317 7.4165 119.3374 64.2289 36.6898 178.2658 12 L 4.3110 8.1968 119.8754 57.6056 41.1411 179.5382 13 Q 4.0080 8.1698 117.0819 58.6626 28.5011 177.3479 14 Y 4.6200 7.2736 114.2357 58.3592 38.9466 175.3582 15 N 4.6242 8.3208 118.8887 52.3264 40.3123 173.6249 16 A 4.3869 8.6041 128.2285 53.1450 19.1320 177.5085 17 K 4.3728 8.1432 114.8515 56.0517 32.2536 176.2123 18 Y 4.3485 7.7345 118.2918 57.3350 38.6107 176.4754 19 S 4.3543 9.0565 120.3831 58.4055 64.9540 175.5669 20 L 4.0074 8.4300 122.7258 58.0524 41.4150 179.3343 21 D 4.3741 8.1431 118.2727 57.5465 40.8370 178.5807 22 E 3.9200 7.9111 118.4472 59.6556 29.5273 179.6531 23 I 3.5994 7.5975 118.8924 64.2381 37.2229 178.2330 24 A 4.0047 8.6458 121.9822 55.3517 18.1506 180.0132 25 R 3.8430 8.1223 116.4382 59.1971 29.9461 178.8031 26 E 3.9692 7.9456 118.2015 59.0909 29.8214 178.3393 27 I 3.9681 7.6799 109.8395 60.2987 39.4693 175.0520 28 R 3.7930 7.6133 117.6916 56.3602 27.0064 175.1968 29 I 4.6275 7.7719 109.6566 57.4556 41.4575 174.4512 30 P 4.3046 0.0000 0.0000 62.6337 32.7742 177.3704 31 K 3.8481 8.7775 122.5281 59.8572 32.1737 178.9114 32 A 4.0179 8.0035 120.3060 55.5402 18.2487 179.6159 33 T 3.9819 7.7713 113.8839 66.3708 68.5039 176.6991 34 L 3.9370 8.0644 122.4614 58.2452 42.1555 178.7449 35 S 4.0845 8.3284 113.3835 61.6270 62.1793 175.4992 36 Y 4.0517 8.1478 121.8704 60.9311 38.6244 178.2325 37 R 3.7456 8.2753 118.9921 59.2982 30.1381 179.2119 38 I 3.7168 8.0079 119.6487 64.3992 37.1654 178.6334 39 K 4.1155 8.1572 119.4618 59.3407 31.7501 179.3609 40 K 3.8074 7.8669 120.1357 59.2944 32.0687 178.9626 41 L 3.9453 7.9331 119.3720 57.6947 41.5953 179.3954 42 E 4.2821 8.0751 119.9684 58.9118 29.2211 179.5592 43 K 4.0668 7.8616 117.4089 59.1525 32.1501 178.2236 44 D 4.7080 8.0558 116.7323 53.9198 40.8937 177.3342 45 G 3.8973 7.6591 107.1809 45.8261 0.0000 175.4031 46 V 3.5377 7.9029 119.9382 65.4577 31.6825 176.4964 47 I 4.0502 7.3964 123.8568 59.7733 36.9872 176.6756 48 K 3.9055 8.4756 126.2099 57.1834 32.3678 177.2920 49 G 3.7615 6.1997 104.4511 45.7932 0.0000 170.6164 50 Y 4.4360 8.2106 115.7692 56.1790 40.9377 174.8395 51 Y 5.1077 8.2984 120.3204 56.0997 41.7437 174.6589 52 A 4.5031 8.5067 124.5154 51.1982 20.2197 176.5238 53 Y 4.4375 8.5318 123.5114 56.4006 39.0953 174.6367 54 I 4.0881 7.4155 128.3443 59.1602 39.1050 175.1391 55 N 4.2282 8.3394 123.4656 52.6721 38.9686 173.3430 56 P 4.1469 0.0000 0.0000 65.8833 31.3377 178.3777 57 A 3.9963 8.0680 118.8870 55.2139 18.1409 179.6142 58 S 4.4098 7.9369 112.6531 60.7453 62.8233 175.8521 59 L 4.5464 7.4258 119.0783 53.4245 42.1312 175.6607 60 N 4.2882 8.4902 115.6653 54.4416 36.6086 174.3205 61 L 4.9642 7.8238 119.8403 54.4756 39.4490 175.9953 62 D 4.5581 8.5811 121.8754 54.7284 42.8032 175.2310 63 Y 4.3428 8.7632 120.8170 56.2133 39.4686 173.3427 64 I 4.8758 7.7836 126.5941 59.5250 39.7409 175.1401 65 V 4.7780 8.5300 118.9835 59.5922 36.5618 174.6526 66 I 4.9027 8.5190 123.1486 60.0103 40.5541 174.5494 67 T 5.1600 9.0066 124.3336 61.8180 71.9126 173.3748 68 S 5.1832 9.2162 122.6281 57.3637 65.0691 173.3155 69 V 4.8795 9.0820 124.7157 61.1423 34.3470 174.2212 70 K 4.9790 9.2758 127.7982 55.1753 33.9667 175.6221 71 A 5.1467 8.4309 125.1989 49.8430 21.4903 176.3996 72 K 4.2958 8.5058 121.5361 56.6568 32.9673 176.4953 73 Y 4.3498 8.7941 123.0371 57.7244 39.4894 175.3951 74 G 4.0313 8.9617 107.6927 45.2040 0.0000 176.7928 75 K 3.4235 7.6981 119.2652 57.6015 31.5774 175.5550 76 N 4.9650 7.9020 122.9123 53.8041 39.6814 175.4078 77 Y 4.4411 7.5567 116.0619 61.4350 37.9218 177.7549 78 H 4.2307 8.4133 116.2286 59.1253 28.7200 177.5883 79 V 3.6815 7.8287 119.0201 66.2731 31.3769 177.9141 80 E 3.9554 8.2322 118.1294 59.3492 29.3260 179.0249 81 L 3.9045 8.3535 120.8501 58.0351 42.1616 179.0572 82 G 3.1251 7.6869 105.5426 47.8597 0.0000 175.3707 83 N 4.3392 7.5776 117.8418 55.9461 38.4034 177.4321 84 K 4.0713 7.9335 119.9371 59.2421 32.0935 179.5006 85 L 3.9364 7.9149 119.1814 57.7174 41.3863 179.3432 86 A 4.1078 7.6715 118.7275 54.3679 18.3622 178.7236 87 Q 4.2889 7.4356 113.6797 55.6667 29.6111 176.2181 88 I 3.9127 7.2165 122.6517 60.1683 37.6516 173.8633 89 P 4.5660 0.0000 0.0000 64.3657 31.9036 175.7458 90 G 3.7521 9.0966 110.0402 45.3734 0.0000 173.3679 91 V 4.1535 7.6283 120.0053 62.3040 31.5609 175.2428 92 W 4.7996 8.4871 124.4762 56.4305 30.2291 176.3971 93 G 3.6744 7.0437 107.5613 44.1109 0.0000 171.7824 94 V 4.8057 7.6158 123.3501 61.3889 34.4120 173.8704 95 Y 5.0686 9.1741 124.6943 56.2419 42.4314 173.9030 96 F 4.9046 9.0515 124.1184 56.5879 41.2926 175.0879 97 V 4.5137 7.7155 118.6866 59.4141 35.6036 175.4851 98 L 4.3977 8.3530 122.8110 54.2874 42.3077 175.3967 99 G 4.1638 8.1653 114.8439 45.4973 0.0000 174.0407 100 D 4.3578 7.8008 123.1225 53.9623 42.4878 176.2415 101 N 4.4662 8.1951 115.5575 52.1514 36.1646 171.2041 102 D 4.3102 6.2335 115.9845 52.7254 43.3949 175.2727 103 F 5.2623 8.7860 116.6483 56.7064 41.2651 175.3609 104 I 4.9592 9.1227 123.5711 59.5850 40.0646 174.5354 105 V 4.7541 9.1498 127.7347 61.3822 33.9308 173.9700 106 M 4.7117 8.6593 127.9331 53.7563 33.7574 175.1614 107 A 5.0614 8.4839 123.6756 50.7924 23.5873 174.9385 108 R 5.0050 8.1178 117.2809 54.8982 34.1304 174.6388 109 Y 4.8342 9.0934 119.7339 56.3321 42.2771 176.4708 110 K 5.0535 10.1285 121.2502 59.0094 33.4901 177.3730 111 T 4.8470 7.7592 107.8139 58.7794 72.2272 174.3772 112 R 2.5100 8.1758 120.7283 59.1515 29.7229 177.9049 113 E 3.8631 7.9696 117.6769 59.5150 29.5133 178.9257 114 E 3.8446 7.9792 118.7043 59.0915 29.6915 178.3753 115 F 3.1291 8.0717 120.6596 61.3471 39.3172 177.0225 116 M 3.5698 8.1327 118.3463 58.2153 31.5592 178.4666 117 E 3.7790 7.8520 117.9425 59.2491 29.9501 178.5485 118 K 4.1231 8.1783 117.3100 58.6878 32.4934 177.1174 119 F 4.3510 7.7721 118.7557 59.0350 40.6743 176.9364 120 L 3.6673 6.8701 118.5530 58.4636 41.8410 179.3654 121 E 3.8653 7.9074 117.0424 59.2168 29.7068 179.1760 122 R 3.8697 7.5478 118.2278 59.3851 30.2458 178.5940 123 V 3.3561 7.5392 118.3360 66.1677 31.2202 177.8287 124 M 4.0030 8.0746 118.0930 57.9556 31.8331 177.9935 125 S 4.5389 7.4449 111.5119 58.0543 63.7810 174.1074 126 I 4.0527 7.4116 125.7706 59.5625 36.8084 174.8728 127 P 4.2006 0.0000 0.0000 65.4130 31.4077 177.0602 128 E 3.9273 7.9479 115.0054 56.3169 29.7500 175.4377 129 V 4.1865 7.2173 120.6337 62.8569 31.6689 175.2131 130 E 4.3941 9.3107 129.5542 58.4104 30.5615 176.1262 131 R 4.9237 7.6644 115.7792 55.4425 34.8493 174.1542 132 T 5.2712 8.2876 109.9586 60.5562 72.4321 173.4169 133 S 4.5081 9.1738 117.8769 57.5220 65.7269 172.5988 134 T 4.9702 8.7105 124.6219 62.2789 69.9948 174.1992 135 Q 4.4063 9.2135 126.8862 54.4212 30.5674 175.1495 136 V 3.9340 8.1901 125.1229 61.7912 32.2703 175.6029 137 V 3.7195 8.3493 129.6542 63.0919 31.4667 176.0995 138 V 4.1964 8.1972 120.1333 60.7209 32.4831 175.7546 139 K 4.1340 7.5569 119.1305 55.7636 34.5528 174.6356 140 I 4.2950 8.2283 128.2221 59.7235 36.9710 175.5327 141 I 3.9111 8.2977 127.1088 63.7535 37.3319 177.0593 142 K 4.5671 7.6144 117.8438 55.5476 34.7801 175.4843 143 E 4.6926 8.2651 125.3574 55.6680 31.0315 174.3259 144 S 4.6450 7.9183 122.5766 55.4665 63.5341 173.4279 145 P 4.3221 0.0000 0.0000 65.2291 31.6381 178.3860 146 N 4.2273 7.8671 115.6317 55.1124 37.4480 174.9763 147 I 3.5210 7.4205 119.8874 60.7424 36.0643 175.6809 148 V 4.2778 7.9273 118.0677 60.7962 33.2046 176.1402 149 I 4.4888 7.3574 119.9397 59.5238 38.8253 175.3640 150 F 4.3347 9.1140 123.3235 57.5688 38.9560 176.0450 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 4.48 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 D 8.61 4.94 0.00 2.90 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 3 E 9.51 4.00 0.00 2.22 2.26 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 2.37 2.41 0.00 4 I 7.81 3.73 2.08 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 1.65 0.83 0.93 0.00 0.00 5 D 8.53 4.39 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 6 L 7.85 4.03 0.00 1.94 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.10 3.95 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 8 I 7.84 3.75 2.06 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 0.76 0.94 0.00 0.00 9 L 8.34 3.99 0.00 1.79 1.69 0.90 0.66 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 10 K 8.23 4.10 0.00 1.90 2.05 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.72 7.81 11 I 7.42 4.13 2.07 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 1.51 0.65 1.01 0.00 0.00 12 L 8.20 4.31 0.00 1.73 1.82 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.17 4.01 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.52 1.86 0.00 14 Y 7.27 4.62 0.00 3.14 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 15 N 8.32 4.62 0.00 2.58 2.65 0.00 0.00 7.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.60 4.39 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.14 4.37 0.00 1.78 1.75 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.49 7.81 18 Y 7.73 4.35 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 19 S 9.06 4.35 0.00 4.08 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 20 L 8.43 4.01 0.00 1.69 1.77 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.14 4.37 0.00 2.77 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 22 E 7.91 3.92 0.00 2.12 1.88 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 2.35 2.40 0.00 23 I 7.60 3.60 1.98 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 1.39 0.87 0.90 0.00 0.00 24 A 8.65 4.00 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 25 R 8.12 3.84 0.00 2.08 1.95 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 26 E 7.95 3.97 0.00 1.85 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 2.25 2.24 0.00 27 I 7.68 3.97 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 1.52 0.81 0.90 0.00 0.00 28 R 7.61 3.79 0.00 2.02 2.04 0.00 3.43 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 29 I 7.77 4.63 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 1.30 0.46 0.92 0.00 0.00 30 P 0.00 4.30 0.00 2.18 2.02 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 31 K 8.78 3.85 0.00 1.82 1.82 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.53 7.81 32 A 8.00 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 33 T 7.77 3.98 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 1.27 0.00 0.00 34 L 8.06 3.94 0.00 1.78 1.90 0.94 0.74 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 35 S 8.33 4.08 0.00 3.94 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 36 Y 8.15 4.05 0.00 3.21 3.18 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 0.00 37 R 8.28 3.75 0.00 2.14 1.97 0.00 3.24 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 1.71 1.92 0.00 38 I 8.01 3.72 2.02 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 1.56 0.71 0.99 0.00 0.00 39 K 8.16 4.12 0.00 1.81 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 40 K 7.87 3.81 0.00 1.17 1.64 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.35 7.81 41 L 7.93 3.95 0.00 1.87 1.66 0.91 0.68 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 42 E 8.08 4.28 0.00 2.15 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 2.37 2.57 0.00 43 K 7.86 4.07 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.60 7.81 44 D 8.06 4.71 0.00 2.61 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 45 G 7.66 3.90 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 0.00 0.00 0.00 46 V 7.90 3.54 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 0.76 0.00 0.00 0.91 0.00 0.00 47 I 7.40 4.05 1.75 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 1.27 0.46 0.40 0.00 0.00 48 K 8.48 3.91 0.00 1.62 1.83 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.35 7.81 49 G 6.20 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.21 4.44 0.00 2.89 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 51 Y 8.30 5.11 0.00 2.94 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 52 A 8.51 4.50 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 53 Y 8.53 4.44 0.00 2.90 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 54 I 7.42 4.09 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.78 0.00 0.00 55 N 8.34 4.23 0.00 2.75 2.65 0.00 0.00 7.20 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 56 P 0.00 4.15 0.00 2.13 2.02 0.00 3.55 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 57 A 8.07 4.00 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 58 S 7.94 4.41 0.00 4.00 3.92 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 59 L 7.43 4.55 0.00 1.68 1.64 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.49 4.29 0.00 2.90 2.90 0.00 0.00 7.04 6.61 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 61 L 7.82 4.96 0.00 1.63 1.63 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.58 4.56 0.00 2.69 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 63 Y 8.76 4.34 0.00 3.14 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 64 I 7.78 4.88 1.81 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 1.33 0.78 0.96 0.00 0.00 65 V 8.53 4.78 1.84 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 0.24 0.00 0.00 0.87 0.00 0.00 66 I 8.52 4.90 1.83 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 1.18 0.77 0.89 0.00 0.00 67 T 9.01 5.16 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 1.48 0.00 0.00 68 S 9.22 5.18 0.00 3.77 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 69 V 9.08 4.88 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 1.03 0.00 0.00 1.05 0.00 0.00 70 K 9.28 4.98 0.00 1.79 1.79 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 71 A 8.43 5.15 1.05 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 72 K 8.51 4.30 0.00 1.67 1.45 0.00 1.62 0.00 0.00 1.13 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.50 7.81 73 Y 8.79 4.35 0.00 3.10 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 74 G 8.96 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 0.00 0.00 0.00 75 K 7.70 3.42 0.00 0.79 0.74 0.00 1.34 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.15 1.03 7.81 76 N 7.90 4.97 0.00 2.61 2.80 0.00 0.00 6.90 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 77 Y 7.56 4.44 0.00 3.20 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 78 H 8.41 4.23 0.00 3.14 3.26 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 79 V 7.83 3.68 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 1.08 0.00 0.00 0.91 0.00 0.00 80 E 8.23 3.96 0.00 2.32 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 2.34 2.48 0.00 81 L 8.35 3.90 0.00 1.77 1.77 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.69 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.58 4.34 0.00 2.78 2.86 0.00 0.00 7.11 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 84 K 7.93 4.07 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.66 7.81 85 L 7.91 3.94 0.00 1.66 1.65 0.58 0.72 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 86 A 7.67 4.11 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 87 Q 7.44 4.29 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.70 0.00 88 I 7.22 3.91 2.13 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 1.16 0.00 0.00 89 P 0.00 4.57 0.00 2.17 2.07 0.00 3.73 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 2.08 2.14 0.00 90 G 9.10 3.75 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 0.00 0.00 0.00 91 V 7.63 4.15 2.32 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 0.83 0.00 0.00 1.27 0.00 0.00 92 W 8.49 4.80 0.00 3.37 3.10 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 93 G 7.04 3.67 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 0.00 0.00 0.00 94 V 7.62 4.81 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 0.87 0.00 0.00 0.84 0.00 0.00 95 Y 9.17 5.07 0.00 2.96 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 96 F 9.05 4.90 0.00 2.90 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 97 V 7.72 4.51 1.95 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 0.58 0.00 0.00 0.71 0.00 0.00 98 L 8.35 4.40 0.00 1.62 1.61 0.95 1.12 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 99 G 8.17 4.16 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 0.00 0.00 0.00 100 D 7.80 4.36 0.00 2.66 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 0.00 101 N 8.20 4.47 0.00 2.87 2.99 0.00 0.00 7.07 8.06 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 0.00 102 D 6.23 4.31 0.00 2.92 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 0.00 103 F 8.79 5.26 0.00 3.21 3.04 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 0.00 104 I 9.12 4.96 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.95 0.00 0.00 105 V 9.15 4.75 2.21 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 1.15 0.00 0.00 1.05 0.00 0.00 106 M 8.66 4.71 0.00 0.80 0.57 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 1.76 2.27 0.00 107 A 8.48 5.06 1.06 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 0.00 0.00 108 R 8.12 5.00 0.00 1.56 1.73 0.00 3.05 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 109 Y 9.09 4.83 0.00 3.08 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 0.00 110 K 10.13 5.05 0.00 1.76 1.94 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.43 7.81 111 T 7.76 4.85 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 1.23 0.00 0.00 112 R 8.18 2.51 0.00 1.33 1.72 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 113 E 7.97 3.86 0.00 2.04 1.95 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 2.37 2.39 0.00 114 E 7.98 3.84 0.00 2.12 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 2.53 2.39 0.00 115 F 8.07 3.13 0.00 3.18 3.04 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 0.00 116 M 8.13 3.57 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.93 0.00 117 E 7.85 3.78 0.00 1.92 1.88 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 2.26 2.28 0.00 118 K 8.18 4.12 0.00 1.61 1.93 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 119 F 7.77 4.35 0.00 2.89 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 6.87 3.67 0.00 0.98 1.26 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.91 3.87 0.00 1.84 1.89 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 2.24 2.31 0.00 122 R 7.55 3.87 0.00 1.72 1.79 0.00 3.04 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 123 V 7.54 3.36 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 0.82 0.00 0.00 0.03 0.00 0.00 124 M 8.07 4.00 0.00 1.92 2.16 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 2.79 2.50 0.00 125 S 7.44 4.54 0.00 3.98 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 0.00 126 I 7.41 4.05 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.57 0.87 0.00 0.00 127 P 0.00 4.20 0.00 2.08 2.12 0.00 3.68 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 1.89 1.90 0.00 128 E 7.95 3.93 0.00 1.69 1.72 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 2.25 2.18 0.00 129 V 7.22 4.19 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 0.74 0.00 0.00 0.88 0.00 0.00 130 E 9.31 4.39 0.00 1.99 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 2.34 2.36 0.00 131 R 7.66 4.92 0.00 1.77 1.78 0.00 3.33 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 132 T 8.29 5.27 4.34 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 1.24 0.00 0.00 133 S 9.17 4.51 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.71 4.97 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 1.14 0.00 0.00 135 Q 9.21 4.41 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 136 V 8.19 3.93 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 0.31 0.00 0.00 0.70 0.00 0.00 137 V 8.35 3.72 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 0.80 0.00 0.00 0.90 0.00 0.00 138 V 8.20 4.20 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 0.73 0.00 0.00 0.89 0.00 0.00 139 K 7.56 4.13 0.00 1.63 1.63 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.48 7.81 140 I 8.23 4.30 1.89 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 1.44 0.74 0.95 0.00 0.00 141 I 8.30 3.91 1.89 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 1.31 0.74 0.92 0.00 0.00 142 K 7.61 4.57 0.00 1.69 1.65 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.44 7.81 143 E 8.27 4.69 0.00 1.96 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 0.00 2.16 2.37 0.00 144 S 7.92 4.64 0.00 3.77 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 0.00 145 P 0.00 4.32 0.00 2.19 2.23 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 146 N 7.87 4.23 0.00 2.66 2.87 0.00 0.00 6.09 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 0.00 147 I 7.42 3.52 1.52 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.40 -0.11 0.00 0.00 148 V 7.93 4.28 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 0.72 0.00 0.00 0.86 0.00 0.00 149 I 7.36 4.49 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 1.44 0.60 0.95 0.00 0.00 150 F 9.11 4.33 0.00 2.98 3.02 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