NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3910 8.1933 115.4082 58.3617 64.4527 173.5637 2 E 4.2637 8.4524 117.5188 55.8054 29.8608 175.0803 3 H 3.7978 8.2840 115.8217 57.2900 27.9556 173.6953 4 T 5.0686 7.9182 114.1260 61.7884 70.7328 174.2692 5 L 4.8189 9.0148 126.2750 52.7509 45.1080 175.4909 6 A 4.9068 8.5900 124.7655 51.1392 19.4926 176.6091 7 V 4.5571 8.7909 123.3863 61.4596 34.2067 175.3238 8 S 4.9968 8.5471 121.2612 56.3102 65.5096 174.7236 9 D 4.5545 9.4685 122.6154 57.0328 40.4432 179.2431 10 S 4.3753 8.1436 113.3324 60.4226 63.5789 175.4011 11 S 4.6283 8.0439 116.0786 58.2946 63.2668 175.6116 12 F 4.0506 8.1272 125.3427 61.5469 39.1342 176.2048 13 D 4.3577 8.2888 117.0960 57.5099 40.8863 177.9715 14 Q 3.9163 7.9155 117.9295 59.3995 29.3016 177.3186 15 D 4.4435 8.2795 118.8713 55.9429 41.2547 177.2475 16 V 3.9004 7.4852 116.3439 64.4798 32.8099 177.7825 17 L 3.9985 7.4587 116.7490 56.8489 41.7762 178.0944 18 K 4.4492 7.7578 116.1911 55.8457 32.3453 176.2549 19 A 4.1804 7.3106 121.4215 51.9613 18.9258 178.5968 20 S 4.4010 8.3179 116.3522 58.6790 64.4478 176.6460 21 G 3.7370 8.2222 110.2402 45.1860 0.0000 171.9123 22 L 4.5585 7.5825 120.9607 53.6501 44.0919 176.9395 23 V 4.6116 8.5785 126.0290 60.9428 34.4336 173.9357 24 L 4.8496 8.7326 130.6492 53.4337 43.3739 175.0260 25 V 4.2131 8.6874 128.3332 62.2275 33.0732 174.2244 26 D 5.0365 9.0242 128.1757 52.4965 43.2559 174.3858 27 F 5.2544 9.0431 126.6159 56.6119 40.3233 175.3338 28 W 5.4619 9.0089 119.8840 55.4933 32.4154 173.2363 29 A 3.6513 7.8736 119.5270 50.4927 21.3057 177.4345 30 E 4.1988 8.3103 118.8246 58.8520 29.7088 178.3965 31 W 4.4551 7.4432 113.4815 56.8630 28.9296 177.0966 32 C 4.8346 7.8263 120.8767 54.9217 44.6375 173.8395 33 G 3.7059 8.6168 115.6733 47.6027 0.0000 171.8488 34 P 4.2865 0.0000 0.0000 65.1875 31.1045 179.2985 35 C 4.2745 8.1431 114.1728 60.2022 35.2563 175.9635 36 K 3.9360 7.9831 119.3776 59.5615 31.3469 179.3842 37 M 4.0915 8.0120 118.8120 57.9527 32.2278 178.0090 38 I 4.1954 7.8268 111.5249 61.5839 38.2433 177.9893 39 G 3.5476 7.5851 108.7894 47.6421 0.0000 173.9098 40 P 4.2178 0.0000 0.0000 65.0883 31.3060 178.4608 41 A 4.4437 7.8699 120.3930 54.6721 18.2872 179.5015 42 L 4.0512 8.1550 117.5758 57.9052 41.6158 180.0138 43 G 3.5851 8.1836 105.6609 47.7718 0.0000 175.5721 44 E 3.9789 8.4843 121.2338 59.2350 29.4910 179.4510 45 I 3.9456 8.1997 120.2233 64.4351 36.9805 178.6421 46 G 4.2589 8.0250 106.6911 47.1839 0.0000 175.3258 47 K 4.6786 8.2625 123.5710 59.0021 32.0616 178.8808 48 E 3.9474 8.3741 117.9379 58.9627 29.6397 178.4810 49 F 4.3637 8.4811 115.7071 56.6670 39.0324 175.9508 50 A 3.8511 8.8278 120.0848 53.4810 16.4269 178.3951 51 G 3.7772 8.2564 106.9065 46.8697 0.0000 176.0234 52 K 4.0726 8.2939 119.2812 58.0546 32.4085 176.6260 53 V 4.6309 7.5139 117.9644 61.1193 34.1070 174.6500 54 T 4.6629 8.5532 124.2178 61.8663 71.0420 173.5708 55 V 4.4610 8.8309 127.1858 61.7278 33.0951 174.6369 56 A 4.9938 8.9007 132.0061 50.2968 20.3896 175.2807 57 K 4.7111 9.0306 122.6322 56.6065 33.9378 176.6198 58 V 4.7337 8.9908 125.7638 60.9003 33.9897 173.9941 59 N 4.1239 8.7121 128.4753 53.0915 39.2100 175.3758 60 I 4.1351 8.3169 120.8717 62.9551 37.9305 177.2782 61 D 4.5250 8.1737 123.1236 57.1942 40.8052 177.2173 62 D 4.6162 8.0692 116.7233 55.5451 41.4488 176.4344 63 N 5.0760 7.5889 115.7387 50.1078 39.1391 172.6040 64 P 4.4359 0.0000 0.0000 64.9549 32.0004 178.4617 65 E 3.9449 8.7548 119.2803 59.5635 29.5028 179.2711 66 T 3.7917 8.4065 116.1718 66.1174 68.4882 175.1201 67 P 3.7857 0.0000 0.0000 65.5518 31.1694 177.8840 68 N 4.1566 7.8971 116.7738 56.5017 38.6733 176.6429 69 A 3.8780 7.8581 120.9174 54.7243 18.3938 178.2133 70 Y 4.3447 7.4644 112.1302 56.7370 38.7208 175.6742 71 Q 3.3508 7.8052 117.4244 56.7841 26.8436 174.7048 72 V 3.6273 7.8545 117.6482 63.0743 31.7048 175.5361 73 R 4.4650 8.1385 125.5573 55.9134 31.2133 175.7806 74 S 4.6747 7.1532 110.3305 57.8120 64.8864 175.1141 75 I 4.8039 8.1563 113.8276 58.0068 40.3993 173.4459 76 P 4.7000 0.0000 0.0000 63.2859 32.6214 175.3921 77 T 5.1554 8.5327 119.2569 61.8416 72.0549 172.9519 78 L 5.4758 9.2285 125.9708 53.3859 45.2432 175.4362 79 M 5.5005 9.1257 120.8322 53.7671 36.7059 174.1532 80 L 4.7907 8.8304 122.8277 53.3600 43.7753 175.8207 81 V 4.8618 8.7309 123.5017 61.1704 35.2698 174.1670 82 R 4.6824 8.7475 126.3692 55.5410 33.9724 174.4372 83 D 4.3648 9.7509 124.0633 55.5203 38.4670 174.8469 84 G 3.9845 8.5269 104.5742 45.4729 0.0000 174.1402 85 K 4.6744 7.7421 119.1209 53.9646 34.9679 175.7680 86 V 4.2349 8.4414 122.9413 63.1876 32.2094 175.5815 87 I 4.1550 8.8206 128.6913 63.6517 37.9783 175.2402 88 D 4.7270 7.5622 118.4114 53.7323 44.5537 174.1749 89 K 5.5135 8.8886 119.8155 54.6902 36.3298 176.0589 90 K 4.4884 9.1896 121.4603 54.5016 36.1020 175.3087 91 V 4.6562 8.5941 123.2079 62.2985 33.6073 176.3167 92 G 3.9959 9.1222 112.7234 45.2249 0.0000 173.0751 93 A 4.2055 8.0296 122.0760 52.1474 19.0436 177.0374 94 L 4.7811 7.8374 118.3671 51.4286 46.1037 175.3686 95 P 4.4721 0.0000 0.0000 61.9471 33.2307 177.5069 96 K 3.8665 8.6823 121.1815 60.1084 32.0149 179.2289 97 S 4.1805 8.0661 113.6886 61.5645 62.9222 176.3375 98 Q 4.0436 8.0297 121.2085 58.5586 28.6065 178.1598 99 L 4.1839 8.1815 120.2361 57.8050 41.6313 179.5439 100 K 4.1243 8.5936 119.6245 59.5775 32.2051 178.6877 101 A 4.2338 8.3321 121.1583 54.8345 18.0273 179.4242 102 W 4.2678 8.2113 126.1054 60.6985 31.1784 178.0210 103 V 3.3118 7.9775 118.1148 66.0772 30.9604 177.8090 104 E 4.1178 8.6044 118.6567 59.3894 29.0643 179.4002 105 S 4.2381 7.9379 112.9770 60.7362 63.1587 175.8803 106 A 3.9225 7.5551 123.3613 52.8764 18.1511 177.2126 107 Q 3.9424 7.8360 121.0386 56.3462 29.2896 173.2965 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 S 8.19 4.39 0.00 3.93 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 2 E 8.45 4.26 0.00 2.10 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 2.42 2.37 0.00 3 H 8.28 3.80 0.00 3.40 3.44 0.00 5.57 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.92 5.07 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 1.18 0.00 0.00 5 L 9.01 4.82 0.00 1.50 1.52 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.59 4.91 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.79 4.56 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 0.98 0.00 0.00 0.93 0.00 0.00 8 S 8.55 5.00 0.00 4.18 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 9 D 9.47 4.55 0.00 2.68 2.96 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 10 S 8.14 4.38 0.00 4.06 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 11 S 8.04 4.63 0.00 4.17 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 12 F 8.13 4.05 0.00 3.42 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.29 4.36 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 14 Q 7.92 3.92 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 15 D 8.28 4.44 0.00 2.60 2.62 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 16 V 7.49 3.90 0.68 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 0.61 0.00 0.00 0.47 0.00 0.00 17 L 7.46 4.00 0.00 1.84 1.74 1.19 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.76 4.45 0.00 1.92 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 19 A 7.31 4.18 1.22 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 20 S 8.32 4.40 0.00 3.83 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 21 G 8.22 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 0.00 0.00 0.00 22 L 7.58 4.56 0.00 1.57 1.30 0.77 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.58 4.61 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 0.83 0.00 0.00 0.79 0.00 0.00 24 L 8.73 4.85 0.00 1.59 1.43 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.69 4.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.85 0.00 0.00 26 D 9.02 5.04 0.00 2.71 2.48 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 27 F 9.04 5.25 0.00 3.20 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 28 W 9.01 5.46 0.00 3.41 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 29 A 7.87 3.65 0.05 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 30 E 8.31 4.20 0.00 2.01 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 2.30 2.31 0.00 31 W 7.44 4.46 0.00 3.51 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 32 C 7.83 4.83 0.00 2.34 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 33 G 8.62 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 34 P 0.00 4.29 0.00 2.20 2.13 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 35 C 8.14 4.27 0.00 3.17 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.98 3.94 0.00 1.96 1.84 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.67 7.81 37 M 8.01 4.09 0.00 1.98 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 2.64 2.88 0.00 38 I 7.83 4.20 1.87 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 1.74 0.83 0.95 0.00 0.00 39 G 7.59 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.22 0.00 2.15 2.08 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 41 A 7.87 4.44 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 42 L 8.15 4.05 0.00 1.81 1.71 0.92 0.78 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 43 G 8.18 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.48 3.98 0.00 2.19 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 0.00 2.32 2.48 0.00 45 I 8.20 3.95 2.13 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 1.62 0.96 1.08 0.00 0.00 46 G 8.02 4.26 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 0.00 47 K 8.26 4.68 0.00 1.84 1.99 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.34 7.81 48 E 8.37 3.95 0.00 1.94 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 2.26 2.40 0.00 49 F 8.48 4.36 0.00 3.10 2.98 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 50 A 8.83 3.85 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 51 G 8.26 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 52 K 8.29 4.07 0.00 2.03 1.86 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 53 V 7.51 4.63 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 0.61 0.00 0.00 0.19 0.00 0.00 54 T 8.55 4.66 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 V 8.83 4.46 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 0.90 0.00 0.00 0.91 0.00 0.00 56 A 8.90 4.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.03 4.71 0.00 1.86 1.87 0.00 1.40 0.00 0.00 1.04 0.00 0.00 2.46 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.29 7.81 58 V 8.99 4.73 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 1.09 0.00 0.00 0.96 0.00 0.00 59 N 8.71 4.12 0.00 2.39 2.49 0.00 0.00 6.90 7.40 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 60 I 8.32 4.14 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 1.06 0.00 0.00 61 D 8.17 4.52 0.00 2.80 2.78 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 62 D 8.07 4.62 0.00 2.61 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 63 N 7.59 5.08 0.00 2.80 2.95 0.00 0.00 7.01 9.28 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 64 P 0.00 4.44 0.00 2.25 2.29 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 E 8.75 3.94 0.00 2.25 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 2.32 2.42 0.00 66 T 8.41 3.79 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 0.60 0.00 0.00 67 P 0.00 3.79 0.00 2.05 1.88 0.00 3.69 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 2.19 2.04 0.00 68 N 7.90 4.16 0.00 2.68 2.97 0.00 0.00 7.02 8.21 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 69 A 7.86 3.88 1.07 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 70 Y 7.46 4.34 0.00 2.93 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 71 Q 7.81 3.35 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 72 V 7.85 3.63 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 0.59 0.00 0.00 0.12 0.00 0.00 73 R 8.14 4.47 0.00 1.82 1.93 0.00 3.30 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 74 S 7.15 4.67 0.00 3.98 3.82 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 75 I 8.16 4.80 2.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.98 0.00 0.00 76 P 0.00 4.70 0.00 2.13 2.06 0.00 3.56 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 2.21 2.15 0.00 77 T 8.53 5.16 4.40 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 1.42 0.00 0.00 78 L 9.23 5.48 0.00 1.72 1.87 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 79 M 9.13 5.50 0.00 1.96 1.89 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 2.76 2.70 0.00 80 L 8.83 4.79 0.00 1.24 1.22 -0.42 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.73 4.86 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 1.02 0.00 0.00 0.87 0.00 0.00 82 R 8.75 4.68 0.00 1.79 1.62 0.00 3.24 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 83 D 9.75 4.36 0.00 2.83 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 84 G 8.53 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 85 K 7.74 4.67 0.00 1.93 1.71 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.51 7.81 86 V 8.44 4.23 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 0.92 0.00 0.00 1.14 0.00 0.00 87 I 8.82 4.16 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.85 0.00 0.00 88 D 7.56 4.73 0.00 2.91 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 89 K 8.89 5.51 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 90 K 9.19 4.49 0.00 1.16 1.26 0.00 1.07 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 91 V 8.59 4.66 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 92 G 9.12 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 93 A 8.03 4.21 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 94 L 7.84 4.78 0.00 1.53 1.48 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.47 0.00 2.16 1.97 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 96 K 8.68 3.87 0.00 1.87 1.84 0.00 1.65 0.00 0.00 2.00 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.61 7.81 97 S 8.07 4.18 0.00 4.11 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 98 Q 8.03 4.04 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 99 L 8.18 4.18 0.00 1.95 1.87 1.00 0.62 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 0.00 100 K 8.59 4.12 0.00 1.99 2.09 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.46 1.60 7.81 101 A 8.33 4.23 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 0.00 102 W 8.21 4.27 0.00 3.28 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.98 3.31 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 0.23 0.00 0.00 0.90 0.00 0.00 104 E 8.60 4.12 0.00 2.29 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 2.60 2.79 0.00 105 S 7.94 4.24 0.00 4.08 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 0.00 106 A 7.56 3.92 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 0.00 107 Q 7.84 3.94 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00