NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.3044 120.3284 55.1681 33.4229 174.2921 2 E 3.9732 8.3656 119.7159 55.3190 30.4435 175.5411 3 A 4.1545 9.1082 128.1622 52.5804 19.9200 177.4109 4 L 4.1045 8.4640 120.2789 55.3786 42.2674 178.3932 5 G 3.8706 9.8006 104.8848 45.2473 0.0000 172.5048 6 A 4.7311 7.4638 117.8272 50.6567 22.2564 176.3654 7 D 4.7214 9.0570 122.0353 53.5165 42.4910 175.8163 8 V 4.6447 8.4075 122.4368 61.3839 34.4726 175.0052 9 T 4.4692 7.8138 121.8710 61.6236 69.3452 174.2127 10 Q 3.8934 8.7686 125.2768 56.8675 28.9778 177.5820 11 G 4.0868 8.8751 109.1271 45.9542 0.0000 172.6061 12 L 5.0794 8.1520 120.2259 52.8677 45.8362 175.1393 13 E 5.1550 8.8925 118.9560 53.9834 34.5016 175.3296 14 K 3.9696 8.5274 123.0329 58.1940 32.4041 176.9693 15 G 4.0874 8.8936 115.1803 45.2857 0.0000 174.1217 16 S 4.3036 8.3357 116.6943 58.6829 64.1751 173.2605 17 L 5.1540 8.4293 123.2644 53.2109 43.2414 175.6388 18 I 4.6925 8.9625 117.0418 59.0625 41.8766 174.3737 19 T 4.4193 8.8249 119.1061 63.2558 69.8939 174.4194 20 C 4.8434 8.6071 126.7120 57.2179 31.1912 174.1063 21 A 4.5263 8.4848 134.3914 50.3341 15.8184 174.6574 22 D 5.4745 7.5921 119.1950 53.5589 42.2189 175.7878 23 N 5.0019 8.4098 115.6512 52.9970 37.5280 176.5738 24 T 3.7369 8.1044 111.2450 64.0135 69.0869 175.1038 25 G 3.9326 7.8629 110.0651 44.9457 0.0000 172.4850 26 A 4.8161 7.3568 122.2064 50.7409 20.5231 176.6758 27 R 4.3340 8.9433 122.8234 57.9681 31.7629 175.9637 28 E 5.1001 8.0367 119.2528 54.2582 32.5392 173.9850 29 L 5.2604 9.1097 126.1591 52.7659 45.5059 175.1126 30 K 4.9403 8.6160 123.7988 54.3701 34.5863 175.4566 31 V 4.0009 8.8091 128.6728 63.4307 32.0726 175.9627 32 I 4.3210 8.4339 127.4112 62.7513 39.5976 175.7196 33 S 4.6965 7.7937 115.0627 57.3089 68.1438 173.3062 34 V 4.5282 8.2317 120.6935 61.0428 33.7156 174.3578 35 H 4.1434 9.0361 128.5865 58.0107 29.9704 175.1778 36 G 3.8610 8.6635 113.4203 45.9944 0.0000 171.9855 37 Y 4.6518 7.8743 120.9127 55.4450 40.1706 175.0492 38 S 4.4610 7.6243 120.7055 56.3660 66.6032 172.9246 39 G 4.1045 7.7807 118.2974 44.8160 0.0000 174.7482 40 T 4.4056 8.4073 117.2044 60.0294 69.8654 171.9682 41 K 3.9107 8.4721 126.2103 58.1556 32.3715 176.8402 42 N 4.4819 8.9814 121.5986 53.6548 37.3028 174.4325 43 R 4.0401 8.0129 119.5374 55.6831 30.4529 175.7616 44 L 4.1954 8.5010 126.3586 53.4578 42.2445 174.8318 45 P 4.5749 0.0000 0.0000 63.6283 31.7825 175.3017 46 K 4.9611 8.0956 123.1483 55.2600 34.8919 175.5947 47 A 4.5610 8.8154 123.2311 50.5792 23.0265 175.8780 48 G 4.3350 9.4697 108.9400 43.8010 0.0000 171.0266 49 L 4.0707 8.5786 122.2549 56.4349 42.1737 178.0460 50 G 4.1335 8.9142 114.9377 45.0723 0.0000 173.0587 51 D 4.8410 7.8435 119.4461 53.4485 43.0318 175.2766 52 K 4.8407 8.6241 122.7206 54.9505 33.9409 175.1010 53 I 5.0038 8.4568 120.5618 59.4068 41.2663 174.7612 54 T 4.7152 8.6433 119.8616 63.0430 70.5355 174.0933 55 V 5.0033 9.0440 123.2013 61.7759 35.9197 173.2195 56 S 5.7824 8.6877 117.8819 55.4272 66.4834 173.2083 57 V 4.1041 8.2392 122.2354 63.0619 31.9066 176.2764 58 T 4.1347 8.6983 125.4613 65.5739 69.2089 175.5436 59 K 4.5598 8.7333 119.0657 54.7835 36.4363 177.1678 60 G 3.9969 8.5678 108.5449 44.5435 0.0000 173.0996 61 T 4.0322 8.1266 111.1143 60.8282 68.7180 173.3558 62 P 4.1839 0.0000 0.0000 66.3320 31.0587 178.7230 63 E 4.2505 8.0961 115.6319 59.4619 29.5876 178.5616 64 M 4.2156 8.2484 118.5158 56.4478 32.4764 177.1210 65 R 4.0657 6.6898 117.7232 57.7097 30.6561 177.3308 66 R 4.0340 8.5140 119.0157 56.4714 29.0002 176.7005 67 Q 4.2507 7.5908 117.9231 55.5665 30.4080 175.5587 68 V 4.5373 8.3401 122.4799 61.6068 32.3680 174.3550 69 L 4.8800 8.7091 127.3278 52.7684 45.8724 175.4713 70 E 4.9753 8.4618 118.5142 55.7469 32.0879 175.1355 71 A 4.8686 8.6158 122.5094 51.1772 23.7132 175.0552 72 V 4.5554 8.1921 118.2721 60.9630 35.0357 174.7432 73 V 4.0733 8.3515 127.8025 62.8119 31.7741 176.2187 74 V 3.9844 8.8153 128.7494 64.0981 33.4442 175.8298 75 R 4.0169 7.4329 117.6383 54.0953 34.7838 174.3439 76 Q 4.8917 7.9860 118.9408 54.7514 31.7742 176.1489 77 R 4.3028 9.4163 120.7807 58.5916 30.4563 177.7224 78 K 4.2164 7.8494 118.4813 55.4976 31.6269 175.2910 79 P 4.9397 0.0000 0.0000 63.0692 32.8472 174.9399 80 I 4.9132 8.4850 113.3852 59.4218 41.5120 173.8014 81 R 4.9797 9.1040 124.4482 54.9969 32.2508 175.2840 82 R 4.8287 8.5822 124.5374 53.8154 32.4055 175.5408 83 P 4.2700 0.0000 0.0000 65.9989 31.4155 176.9895 84 D 4.6107 8.0609 114.7339 53.2273 39.4954 176.0179 85 G 4.1715 8.6820 110.6022 46.0830 0.0000 174.8356 86 T 4.0633 7.4228 114.8623 64.1527 69.6239 173.7209 87 R 5.1768 8.4271 122.0140 54.6660 33.2039 175.7778 88 V 4.5343 8.7331 121.3330 61.0744 34.7906 174.4059 89 K 5.0418 8.4185 125.3705 55.5034 35.5209 175.2675 90 F 4.7302 8.8704 120.0102 55.6644 41.6978 176.4482 91 E 4.1106 9.0262 120.0971 58.8150 29.7197 174.9972 92 D 4.7130 7.7118 115.4957 52.8348 42.4885 173.4545 93 N 5.1573 8.7709 115.0215 51.7656 41.0509 174.0119 94 A 5.2537 9.0408 124.7972 50.3428 23.2821 174.4196 95 A 5.0726 9.3148 120.8132 50.2625 23.7318 175.2321 96 V 4.4732 8.3273 118.6226 60.7294 34.3133 175.2524 97 I 4.2423 8.2035 128.6552 62.0284 38.1271 175.3336 98 V 4.9055 8.7719 124.6967 61.6452 35.3733 174.4455 99 D 4.9692 7.9952 124.0092 51.6456 41.8364 176.4890 100 E 3.9351 8.8080 117.2231 59.8923 29.3921 177.7011 101 N 4.6477 9.2892 114.3312 52.8912 38.7483 175.0400 102 E 3.8033 8.0785 116.7384 57.2458 27.3847 173.5665 103 D 5.3369 8.2443 118.2709 51.0684 42.2952 174.3414 104 P 4.3727 0.0000 0.0000 63.2718 31.4672 176.3006 105 R 3.8924 8.6363 123.4384 58.9734 30.1892 176.8502 106 G 3.9924 7.6920 105.2815 45.0360 0.0000 172.4922 107 T 4.4010 8.5007 113.7103 63.8649 70.0605 175.0739 108 E 4.7561 9.1321 120.5126 54.3491 33.8223 174.8946 109 L 5.0229 8.4576 123.4100 53.2272 42.7391 176.7007 110 K 4.1428 8.3931 124.2376 56.5728 33.1364 178.0449 111 G 3.8502 8.7096 113.5044 44.1686 0.0000 170.8483 112 P 4.9012 0.0000 0.0000 62.7021 32.8612 175.3006 113 I 4.7639 8.1311 117.0779 59.7010 42.2605 174.7018 114 A 4.9197 8.1754 126.4126 51.5750 19.2426 179.1994 115 R 3.9389 9.0201 119.3436 59.5587 29.5702 179.2822 116 E 3.9459 8.2974 118.7018 59.2747 29.3645 179.2492 117 V 3.8340 7.8703 117.2874 65.2947 31.3209 178.0181 118 A 3.9851 8.0854 121.0716 55.4239 18.1705 179.4588 119 Q 4.0049 7.4119 113.2629 57.9902 28.8096 177.7586 120 R 3.9637 7.2509 117.0355 56.9507 31.7787 176.6605 121 F 4.7602 7.8875 121.3222 54.9687 39.5072 176.4099 122 G 3.6315 8.6231 112.4865 47.8281 0.0000 173.0821 123 S 3.9473 8.1384 118.3557 60.0313 62.3877 176.7410 124 V 3.5358 7.8134 121.2853 65.7638 31.5095 177.5625 125 A 4.1200 8.0950 120.7885 55.0385 18.2291 180.4749 126 S 4.6436 8.9394 113.1751 58.4294 63.5965 175.3261 127 A 4.5958 7.6044 121.6673 52.5925 21.6567 177.2544 128 A 4.2244 8.3207 120.2926 52.1276 19.1547 178.0268 129 T 4.1044 8.6796 120.1034 66.3487 69.3379 174.8921 130 M 4.9213 7.7984 119.5497 53.5556 36.0782 175.2287 131 I 4.6977 8.2495 121.6525 60.0573 40.7598 175.3541 132 V 4.0113 8.7892 127.0888 62.8176 31.5305 175.5318 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 8.30 4.41 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.37 3.97 0.00 1.93 1.74 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 2.24 2.33 0.00 3 A 9.11 4.15 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 4 L 8.46 4.10 0.00 1.65 1.74 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.80 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 6 A 7.46 4.73 1.25 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 7 D 9.06 4.72 0.00 2.62 2.61 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 8 V 8.41 4.64 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 0.85 0.00 0.00 1.00 0.00 0.00 9 T 7.81 4.47 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 1.22 0.00 0.00 10 Q 8.77 3.89 0.00 1.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 11 G 8.88 4.09 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 0.00 12 L 8.15 5.08 0.00 1.65 1.49 0.87 0.67 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 13 E 8.89 5.15 0.00 1.84 1.76 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 2.19 2.21 0.00 14 K 8.53 3.97 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.62 7.81 15 G 8.89 4.09 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 0.00 16 S 8.34 4.30 0.00 3.80 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 17 L 8.43 5.15 0.00 1.50 1.58 0.95 0.76 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 18 I 8.96 4.69 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.88 0.00 0.00 19 T 8.82 4.42 4.28 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 1.20 0.00 0.00 20 C 8.61 4.84 0.00 2.96 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 21 A 8.48 4.53 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.59 5.47 0.00 2.79 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 23 N 8.41 5.00 0.00 2.85 3.02 0.00 0.00 5.73 7.22 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 24 T 8.10 3.74 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 1.26 0.00 0.00 25 G 7.86 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 26 A 7.36 4.82 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 27 R 8.94 4.33 0.00 1.76 1.96 0.00 3.07 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.04 5.10 0.00 2.00 1.75 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 2.25 2.43 0.00 29 L 9.11 5.26 0.00 1.52 1.48 0.88 0.64 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 30 K 8.62 4.94 0.00 1.79 1.75 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.81 4.00 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 0.92 0.00 0.00 0.90 0.00 0.00 32 I 8.43 4.32 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 1.22 0.95 0.92 0.00 0.00 33 S 7.79 4.70 0.00 3.75 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 34 V 8.23 4.53 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 0.99 0.00 0.00 0.84 0.00 0.00 35 H 9.04 4.14 0.00 3.21 3.35 0.00 6.10 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.66 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 0.00 0.00 0.00 37 Y 7.87 4.65 0.00 2.93 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 38 S 7.62 4.46 0.00 3.80 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 39 G 7.78 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 40 T 8.41 4.41 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 1.23 0.00 0.00 41 K 8.47 3.91 0.00 1.75 1.75 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 8.98 4.48 0.00 2.94 3.00 0.00 0.00 7.04 7.66 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 43 R 8.01 4.04 0.00 1.79 2.04 0.00 3.37 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.50 4.20 0.00 1.85 1.62 1.01 1.16 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 45 P 0.00 4.57 0.00 2.18 2.46 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 46 K 8.10 4.96 0.00 1.63 1.73 0.00 1.47 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.03 1.03 7.81 47 A 8.82 4.56 1.11 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 0.00 0.00 0.00 0.00 0.00 48 G 9.47 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 0.00 0.00 0.00 0.00 49 L 8.58 4.07 0.00 1.70 1.60 0.86 1.14 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 50 G 8.91 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 0.00 0.00 0.00 0.00 51 D 7.84 4.84 0.00 2.71 2.60 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 52 K 8.62 4.84 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.67 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.42 7.81 53 I 8.46 5.00 1.99 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 1.16 0.51 0.87 0.00 0.00 54 T 8.64 4.72 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 1.26 0.00 0.00 55 V 9.04 5.00 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 1.00 0.00 0.00 0.89 0.00 0.00 56 S 8.69 5.78 0.00 3.90 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 57 V 8.24 4.10 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 0.96 0.00 0.00 0.94 0.00 0.00 58 T 8.70 4.13 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 59 K 8.73 4.56 0.00 1.72 1.64 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.51 7.81 60 G 8.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.03 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 1.20 0.00 0.00 62 P 0.00 4.18 0.00 2.17 2.17 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 63 E 8.10 4.25 0.00 1.93 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 2.31 2.34 0.00 64 M 8.25 4.22 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 65 R 6.69 4.07 0.00 1.99 1.87 0.00 3.23 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 66 R 8.51 4.03 0.00 2.00 2.11 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Q 7.59 4.25 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 68 V 8.34 4.54 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 69 L 8.71 4.88 0.00 1.58 1.50 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.46 4.98 0.00 1.87 1.78 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 2.31 2.28 0.00 71 A 8.62 4.87 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 0.00 0.00 0.00 0.00 0.00 72 V 8.19 4.56 1.74 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 0.62 0.00 0.00 -0.12 0.00 0.00 73 V 8.35 4.07 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 0.78 0.00 0.00 0.87 0.00 0.00 74 V 8.82 3.98 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 0.79 0.00 0.00 0.91 0.00 0.00 75 R 7.43 4.02 0.00 1.49 1.44 0.00 3.31 0.00 0.00 3.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.25 0.00 76 Q 7.99 4.89 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 77 R 9.42 4.30 0.00 1.81 2.07 0.00 3.14 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 78 K 7.85 4.22 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.94 0.00 2.13 1.98 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 80 I 8.48 4.91 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.99 0.00 0.00 81 R 9.10 4.98 0.00 1.87 1.82 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 82 R 8.58 4.83 0.00 1.81 1.81 0.00 3.22 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 83 P 0.00 4.27 0.00 2.03 2.16 0.00 3.68 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 2.04 2.15 0.00 84 D 8.06 4.61 0.00 2.78 2.76 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 85 G 8.68 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 86 T 7.42 4.06 4.42 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 1.19 0.00 0.00 87 R 8.43 5.18 0.00 1.66 1.82 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 88 V 8.73 4.53 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 0.80 0.00 0.00 0.91 0.00 0.00 89 K 8.42 5.04 0.00 1.99 1.72 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.41 7.81 90 F 8.87 4.73 0.00 3.30 3.06 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 91 E 9.03 4.11 0.00 1.97 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 2.31 2.26 0.00 92 D 7.71 4.71 0.00 2.68 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 93 N 8.77 5.16 0.00 2.61 2.71 0.00 0.00 6.47 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 94 A 9.04 5.25 1.11 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 0.00 0.00 0.00 0.00 0.00 95 A 9.31 5.07 1.14 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 0.00 0.00 96 V 8.33 4.47 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 0.92 0.00 0.00 0.92 0.00 0.00 97 I 8.20 4.24 1.83 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 1.07 0.58 0.91 0.00 0.00 98 V 8.77 4.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.84 0.00 0.00 99 D 8.00 4.97 0.00 2.88 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 0.00 100 E 8.81 3.94 0.00 1.98 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 2.32 2.34 0.00 101 N 9.29 4.65 0.00 2.93 2.85 0.00 0.00 7.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.08 3.80 0.00 2.27 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 2.27 2.33 0.00 103 D 8.24 5.34 0.00 2.94 2.57 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 0.00 0.00 0.00 104 P 0.00 4.37 0.00 2.15 2.07 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 105 R 8.64 3.89 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.69 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 0.00 107 T 8.50 4.40 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 1.21 0.00 0.00 108 E 9.13 4.76 0.00 1.81 1.77 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 2.21 2.25 0.00 109 L 8.46 5.02 0.00 1.52 1.61 0.97 0.95 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 0.00 110 K 8.39 4.14 0.00 1.59 1.74 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.39 7.81 111 G 8.71 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 0.00 112 P 0.00 4.90 0.00 2.26 2.18 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 113 I 8.13 4.76 1.91 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 1.14 0.55 0.93 0.00 0.00 114 A 8.18 4.92 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 0.00 115 R 9.02 3.94 0.00 2.09 2.25 0.00 2.81 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.30 3.95 0.00 2.12 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 2.43 2.58 0.00 117 V 7.87 3.83 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 1.31 0.00 0.00 1.04 0.00 0.00 118 A 8.09 3.99 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 0.00 119 Q 7.41 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 R 7.25 3.96 0.00 1.20 0.66 0.00 2.99 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.00 121 F 7.89 4.76 0.00 3.12 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 0.00 122 G 8.62 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 0.00 123 S 8.14 3.95 0.00 4.08 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 0.00 124 V 7.81 3.54 2.39 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 1.03 0.00 0.00 0.93 0.00 0.00 125 A 8.09 4.12 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 0.00 126 S 8.94 4.64 0.00 4.03 4.11 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 0.00 0.00 0.00 127 A 7.60 4.60 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 0.00 128 A 8.32 4.22 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 0.00 129 T 8.68 4.10 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 1.22 0.00 0.00 130 M 7.80 4.92 0.00 1.95 1.94 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 2.58 2.54 0.00 131 I 8.25 4.70 1.90 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 1.27 0.61 0.95 0.00 0.00 132 V 8.79 4.01 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 0.85 0.00 0.00 0.96 0.00 0.00