NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4068 8.3044 120.3277 54.7346 33.4380 174.8508 2 E 3.7777 8.4875 123.2876 55.0784 30.3422 174.8701 3 A 4.0396 9.3255 129.3017 53.0030 19.7443 177.1135 4 L 4.1709 8.5419 120.3659 55.0872 42.3120 177.4122 5 G 3.7981 8.5620 105.3650 46.0971 0.0000 173.0268 6 A 4.4590 7.5209 116.0234 51.0004 21.9955 176.5385 7 D 4.6917 8.5377 122.6372 53.5279 42.3867 175.7356 8 V 4.5875 8.3980 122.9979 61.3795 34.2597 175.1573 9 T 4.3135 7.8660 121.5925 62.0744 68.7207 173.5505 10 Q 3.9974 8.9281 127.2391 56.1802 28.8412 177.6977 11 G 3.8945 8.9727 110.2844 46.9907 0.0000 170.9583 12 L 5.0779 8.6291 120.4717 52.9651 46.3363 174.7974 13 E 5.1105 8.4726 118.2592 54.4274 34.6295 175.2993 14 K 4.1009 8.3615 123.0697 58.0478 32.4983 177.2975 15 G 3.9849 9.0993 115.1686 44.9896 0.0000 173.8130 16 S 4.3693 7.8355 115.9087 58.4573 64.3159 173.1628 17 L 5.2071 8.4075 122.8987 53.2454 43.0736 175.7191 18 I 4.7083 9.0115 117.0877 59.0294 41.8035 174.4477 19 T 4.3975 8.5064 119.0803 63.3772 69.7903 174.2820 20 C 5.3050 8.6131 126.4552 57.3298 31.4389 173.0681 21 A 4.4749 8.2231 129.0247 49.2598 16.4027 175.2442 22 D 5.0773 7.7445 119.8694 52.4683 41.8781 175.9828 23 N 4.8187 7.9654 114.4424 53.4674 37.6960 177.0989 24 T 3.8145 7.8448 110.1043 64.0467 69.3771 175.0685 25 G 3.8324 8.0522 111.3895 44.9356 0.0000 172.3578 26 A 4.8725 7.5525 122.4651 50.6424 20.6905 176.5533 27 R 4.3339 8.8589 122.4056 58.0779 31.8609 176.2540 28 E 5.0800 8.0522 119.2381 54.2100 32.5482 174.2296 29 L 5.2238 9.0401 126.2612 52.7335 45.6551 175.2416 30 K 4.9237 8.9001 124.0517 54.2515 34.9433 175.3475 31 V 3.9985 8.5582 128.6797 63.6958 31.7594 176.1070 32 I 4.3652 8.4960 128.6268 62.8233 39.3495 175.6196 33 S 4.6567 7.6331 115.3615 57.5904 68.1471 173.4844 34 V 4.6513 8.1412 119.9560 61.0337 34.1963 174.2271 35 H 4.2714 9.2050 128.6298 57.7653 29.9570 174.7719 36 G 3.9252 8.7057 114.4251 46.6264 0.0000 171.9216 37 Y 4.6603 7.7663 119.4249 55.2278 40.5389 174.9083 38 S 4.3917 7.5780 120.3170 56.3678 65.6021 173.4617 39 G 4.0604 8.1804 118.1291 44.5664 0.0000 172.0325 40 T 4.5946 8.0103 113.1334 59.2269 70.5904 174.0863 41 K 3.9888 8.4089 125.8771 58.3896 32.3010 176.6557 42 N 4.5695 9.0576 122.0890 53.1764 36.1744 173.7912 43 R 4.4366 7.6075 119.0931 54.9043 31.1634 175.5246 44 H 4.4090 8.7720 123.1727 54.6994 29.4061 173.1243 45 P 4.5020 0.0000 0.0000 63.2813 31.7967 175.6055 46 K 4.8583 8.0367 123.7507 55.5367 34.6689 175.7392 47 A 4.8124 8.8844 123.3001 50.2557 22.5920 175.3219 48 G 4.4208 9.1647 107.0463 43.6474 0.0000 171.6907 49 L 4.1977 8.4222 121.7476 56.9463 42.1785 177.6496 50 G 4.1209 8.9577 114.0251 45.3179 0.0000 173.2156 51 D 4.6954 8.0123 120.1085 53.8646 42.6542 175.5843 52 K 4.8018 8.7412 123.5438 55.2455 33.4785 175.1478 53 I 4.8888 8.2761 121.5524 59.5586 40.7943 174.9823 54 T 4.8105 8.7244 120.3659 63.0334 70.5004 174.2623 55 V 4.9954 8.6326 122.7092 60.7108 35.7344 173.1357 56 S 5.4579 8.8188 115.0041 55.3628 66.0518 173.0569 57 V 4.3832 8.2709 126.3329 62.7921 31.6922 176.3960 58 T 4.0226 8.9456 125.9143 66.0685 68.7404 175.4117 59 K 4.5798 9.1646 119.9331 54.1780 36.0713 177.0643 60 G 4.0266 8.4166 108.9520 45.1681 0.0000 172.5003 61 T 4.0258 7.7591 110.3846 60.9501 69.3965 173.2397 62 P 4.2235 0.0000 0.0000 66.2069 31.3875 178.5174 63 E 4.1120 8.0236 115.3126 59.7582 29.5165 178.8876 64 M 4.1676 7.8918 118.7710 56.9570 32.1864 177.0126 65 R 3.8843 7.6536 119.0042 57.8851 30.6280 176.1865 66 R 3.9478 8.6138 121.8632 57.0737 28.4913 176.0020 67 Q 4.5365 7.4772 115.7956 54.6953 31.1919 175.1584 68 V 5.0531 8.1820 121.7392 60.9490 32.8016 174.2870 69 L 4.9394 8.2770 126.9368 53.0278 46.4421 175.0414 70 E 5.0702 8.5242 117.8635 55.3361 32.3485 175.2745 71 A 4.9629 8.7245 122.9866 50.8467 23.8880 174.8705 72 V 4.5059 8.3805 118.3538 60.8817 34.8585 175.0157 73 V 3.8565 8.5209 127.8173 63.1303 30.5730 176.3554 74 V 3.7106 8.6325 129.8725 65.2086 32.7936 175.8444 75 R 4.2846 7.3972 116.9725 54.7460 34.8944 174.0397 76 Q 5.0552 8.3874 116.0668 55.5549 31.0145 175.7237 77 R 4.2411 8.8238 120.5384 58.5775 30.4339 177.6463 78 K 4.1829 7.9167 119.2327 55.5037 32.0476 175.3828 79 P 4.8688 0.0000 0.0000 62.9998 32.8417 175.0377 80 I 4.8239 8.5202 114.1533 59.2430 41.5705 173.8869 81 R 4.9527 9.2518 124.7702 55.1329 31.8094 175.4175 82 R 4.8034 8.6905 125.3234 54.1029 31.9635 175.6773 83 P 4.1746 0.0000 0.0000 66.0722 31.3996 177.1685 84 D 4.5059 8.0062 114.0196 53.6343 39.3634 177.0837 85 G 3.9800 8.6644 109.6468 45.8587 0.0000 174.3691 86 T 4.2245 7.7077 116.0242 63.6261 69.7926 173.6872 87 R 5.1252 8.3736 121.7937 54.6478 33.0150 175.8566 88 V 4.4861 8.6299 121.5291 61.0232 34.9381 174.3668 89 K 4.8244 8.2709 124.9688 55.2644 35.7401 174.9353 90 F 5.0163 8.3221 118.6808 55.4060 42.4435 176.2367 91 E 4.1490 9.2050 120.2233 57.4104 29.5738 175.2568 92 D 4.4972 7.4213 115.5084 54.1650 42.2490 174.3381 93 N 5.1582 8.3353 115.4537 51.7759 40.6036 174.4534 94 A 5.3252 8.6425 124.1962 50.5034 23.4462 174.4295 95 A 5.5204 8.8416 119.6347 51.1741 23.3092 175.4865 96 V 4.5573 8.0775 120.5366 60.8976 33.8257 175.4739 97 I 4.4539 7.9230 127.8881 61.8069 38.4728 174.8108 98 V 4.5688 8.2230 122.0768 62.2492 35.0211 173.4403 99 D 4.7600 8.4641 125.3850 51.7206 41.5451 176.5220 100 E 3.9219 8.7306 118.7491 59.4277 29.4968 177.1498 101 N 4.7634 8.2503 114.0121 52.7634 38.5961 174.5318 102 E 3.8428 7.9938 115.2477 57.3446 27.9711 173.7993 103 D 4.9386 8.2126 118.7306 51.4309 42.6429 174.4968 104 P 4.7754 0.0000 0.0000 62.5242 31.4839 176.6270 105 R 3.9210 8.6126 121.6779 58.2729 30.3690 176.3050 106 G 4.0284 7.7079 106.0339 44.7900 0.0000 172.7547 107 T 4.3753 8.8052 114.5585 63.9577 70.3739 175.2657 108 E 4.7358 8.1922 120.1238 54.3463 32.7512 175.1073 109 L 4.9411 8.5017 124.2291 53.4837 42.9524 176.3557 110 K 4.2767 8.2460 122.8940 56.1996 33.4373 177.0489 111 G 3.9083 8.8306 114.7708 43.6237 0.0000 171.0156 112 P 4.8260 0.0000 0.0000 63.1853 32.2967 175.1962 113 I 4.6272 8.2913 118.6364 59.7451 42.2526 174.3392 114 A 5.1693 8.0361 127.0317 51.2399 19.2219 179.2247 115 R 3.9955 9.0284 119.3185 59.2256 29.2935 179.3879 116 E 4.2147 8.1896 119.3988 59.2579 29.4845 179.0713 117 V 3.8034 7.9410 118.2053 65.9143 31.4350 177.7784 118 A 4.0340 7.5925 120.9518 55.3691 17.9455 179.2984 119 Q 3.8916 7.5205 115.5523 59.2626 29.1224 178.6815 120 R 3.9094 7.7260 117.4937 57.7509 31.8515 177.5935 121 F 4.7777 7.8347 120.8245 55.2100 38.5721 176.4316 122 G 3.7610 8.2080 111.9697 47.8420 0.0000 172.4461 123 S 4.1452 8.0929 115.3440 61.2735 63.0828 176.4047 124 V 3.7450 7.8472 121.6698 65.7232 31.3577 177.9324 125 A 4.0460 7.9665 120.3505 55.0236 18.0400 179.4366 126 S 4.1720 8.2577 111.5789 61.1051 62.9917 175.1859 127 A 4.3146 7.5930 121.1792 51.9793 19.0518 177.0501 128 A 4.1455 8.0368 120.6597 52.0462 18.5784 176.7093 129 T 4.0110 7.9605 120.9416 64.5698 69.0017 174.2528 130 M 4.4584 7.9982 119.6447 54.7207 34.6365 175.5165 131 I 4.7334 8.3284 123.7899 59.4361 39.7547 175.6373 132 V 3.9488 8.9170 127.1875 62.9061 31.5416 175.6341 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 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 2 E 8.49 3.78 0.00 1.93 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 2.33 0.00 3 A 9.33 4.04 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 4 L 8.54 4.17 0.00 1.66 1.75 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.56 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 0.00 0.00 0.00 6 A 7.52 4.46 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.54 4.69 0.00 2.67 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 8.40 4.59 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 0.87 0.00 0.00 0.97 0.00 0.00 9 T 7.87 4.31 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 8.93 4.00 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 11 G 8.97 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 0.00 0.00 0.00 12 L 8.63 5.08 0.00 1.58 1.52 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.47 5.11 0.00 1.82 1.79 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 2.23 2.24 0.00 14 K 8.36 4.10 0.00 1.72 1.69 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.47 7.81 15 G 9.10 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 16 S 7.84 4.37 0.00 3.90 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 8.41 5.21 0.00 1.50 1.70 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 I 9.01 4.71 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.25 0.89 0.00 0.00 19 T 8.51 4.40 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 1.19 0.00 0.00 20 C 8.61 5.30 0.00 2.98 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 21 A 8.22 4.47 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 22 D 7.74 5.08 0.00 2.69 2.59 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 23 N 7.97 4.82 0.00 2.88 3.05 0.00 0.00 5.68 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 7.84 3.81 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 1.22 0.00 0.00 25 G 8.05 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.55 4.87 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 27 R 8.86 4.33 0.00 1.88 1.95 0.00 3.07 0.00 0.00 3.08 7.15 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 8.05 5.08 0.00 2.00 1.85 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 2.25 2.28 0.00 29 L 9.04 5.22 0.00 1.64 1.47 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.90 4.92 0.00 1.74 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.56 4.00 2.19 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 0.68 0.00 0.00 0.94 0.00 0.00 32 I 8.50 4.37 1.86 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 1.22 0.94 0.91 0.00 0.00 33 S 7.63 4.66 0.00 3.75 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 34 V 8.14 4.65 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 0.86 0.00 0.00 35 H 9.21 4.27 0.00 3.29 3.30 0.00 6.14 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 8.71 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 37 Y 7.77 4.66 0.00 2.92 2.99 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 38 S 7.58 4.39 0.00 3.67 3.45 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 39 G 8.18 4.06 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 0.00 40 T 8.01 4.59 4.23 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 1.23 0.00 0.00 41 K 8.41 3.99 0.00 1.75 1.73 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 N 9.06 4.57 0.00 2.95 3.07 0.00 0.00 6.98 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 7.61 4.44 0.00 1.84 2.03 0.00 3.38 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 44 H 8.77 4.41 0.00 3.26 3.23 0.00 5.96 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 45 P 0.00 4.50 0.00 2.10 2.39 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 46 K 8.04 4.86 0.00 1.72 1.76 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.17 1.15 7.81 47 A 8.88 4.81 1.13 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 48 G 9.16 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 0.00 0.00 0.00 0.00 49 L 8.42 4.20 0.00 1.68 1.68 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.96 4.12 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 0.00 51 D 8.01 4.70 0.00 2.76 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 52 K 8.74 4.80 0.00 1.95 1.75 0.00 1.61 0.00 0.00 1.93 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.45 7.81 53 I 8.28 4.89 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.46 0.88 0.00 0.00 54 T 8.72 4.81 4.33 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 1.26 0.00 0.00 55 V 8.63 5.00 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 0.68 0.00 0.00 0.97 0.00 0.00 56 S 8.82 5.46 0.00 3.87 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 57 V 8.27 4.38 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 0.94 0.00 0.00 0.95 0.00 0.00 58 T 8.95 4.02 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 1.28 0.00 0.00 59 K 9.16 4.58 0.00 1.65 1.64 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.50 7.81 60 G 8.42 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 61 T 7.76 4.03 4.23 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 1.24 0.00 0.00 62 P 0.00 4.22 0.00 2.03 2.17 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 63 E 8.02 4.11 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 2.31 2.34 0.00 64 M 7.89 4.17 0.00 1.96 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 2.78 2.67 0.00 65 R 7.65 3.88 0.00 1.96 1.83 0.00 3.36 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 66 R 8.61 3.95 0.00 2.01 2.04 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.48 4.54 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 68 V 8.18 5.05 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 0.69 0.00 0.00 0.92 0.00 0.00 69 L 8.28 4.94 0.00 1.56 1.50 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.52 5.07 0.00 1.86 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 2.28 2.27 0.00 71 A 8.72 4.96 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 8.38 4.51 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 0.48 0.00 0.00 -0.03 0.00 0.00 73 V 8.52 3.86 2.24 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 0.85 0.00 0.00 0.92 0.00 0.00 74 V 8.63 3.71 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 0.71 0.00 0.00 0.88 0.00 0.00 75 R 7.40 4.28 0.00 1.52 1.26 0.00 2.98 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 76 Q 8.39 5.06 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 77 R 8.82 4.24 0.00 1.90 2.07 0.00 3.15 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 78 K 7.92 4.18 0.00 1.77 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.87 0.00 2.10 1.93 0.00 3.59 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 2.10 2.07 0.00 80 I 8.52 4.82 1.91 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 1.32 0.79 0.99 0.00 0.00 81 R 9.25 4.95 0.00 1.87 1.83 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 82 R 8.69 4.80 0.00 1.88 1.81 0.00 3.21 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 83 P 0.00 4.17 0.00 2.03 2.15 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 2.04 2.12 0.00 84 D 8.01 4.51 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.66 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 86 T 7.71 4.22 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 1.18 0.00 0.00 87 R 8.37 5.13 0.00 1.63 1.79 0.00 3.30 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 88 V 8.63 4.49 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 0.70 0.00 0.00 0.87 0.00 0.00 89 K 8.27 4.82 0.00 1.85 1.64 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.34 7.81 90 F 8.32 5.02 0.00 3.26 2.97 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 0.00 0.00 0.00 91 E 9.20 4.15 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 92 D 7.42 4.50 0.00 2.66 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 93 N 8.34 5.16 0.00 2.64 2.74 0.00 0.00 6.45 7.19 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 94 A 8.64 5.33 1.08 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 0.00 0.00 0.00 0.00 0.00 95 A 8.84 5.52 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 96 V 8.08 4.56 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 1.08 0.00 0.00 0.89 0.00 0.00 97 I 7.92 4.45 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 0.90 0.92 0.00 0.00 98 V 8.22 4.57 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 0.60 0.00 0.00 0.79 0.00 0.00 99 D 8.46 4.76 0.00 2.95 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 0.00 100 E 8.73 3.92 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 101 N 8.25 4.76 0.00 2.95 2.82 0.00 0.00 6.93 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 0.00 102 E 7.99 3.84 0.00 2.25 2.24 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 2.35 2.34 0.00 103 D 8.21 4.94 0.00 2.99 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.78 0.00 2.15 2.04 0.00 3.37 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 105 R 8.61 3.92 0.00 1.77 1.97 0.00 3.20 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 106 G 7.71 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 0.00 107 T 8.81 4.38 4.23 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 1.21 0.00 0.00 108 E 8.19 4.74 0.00 1.87 1.80 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 2.27 2.29 0.00 109 L 8.50 4.94 0.00 1.51 1.57 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.25 4.28 0.00 1.72 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.37 7.81 111 G 8.83 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.83 0.00 2.23 2.17 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 113 I 8.29 4.63 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.90 0.00 0.00 114 A 8.04 5.17 1.55 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 0.00 115 R 9.03 4.00 0.00 2.08 2.25 0.00 2.80 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 116 E 8.19 4.21 0.00 2.14 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 2.44 2.58 0.00 117 V 7.94 3.80 2.24 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 1.15 0.00 0.00 1.05 0.00 0.00 118 A 7.59 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.52 3.89 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 120 R 7.73 3.91 0.00 1.49 0.66 0.00 3.12 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 121 F 7.83 4.78 0.00 3.11 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 0.00 122 G 8.21 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 0.00 123 S 8.09 4.15 0.00 4.14 4.06 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 0.00 124 V 7.85 3.75 2.35 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 0.97 0.00 0.00 0.92 0.00 0.00 125 A 7.97 4.05 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 8.26 4.17 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.59 4.31 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 0.00 128 A 8.04 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 0.00 129 T 7.96 4.01 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 8.00 4.46 0.00 2.00 2.00 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 2.65 2.58 0.00 131 I 8.33 4.73 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 1.25 0.63 0.95 0.00 0.00 132 V 8.92 3.95 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 0.90 0.00 0.00 1.01 0.00 0.00