NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4199 8.3044 120.3301 55.4063 33.3127 173.7960 2 E 4.1875 8.3972 120.4585 54.6767 30.9480 175.3105 3 A 4.0880 9.2448 128.7864 52.9261 19.7679 177.3580 4 L 4.1218 8.5059 120.5860 55.3175 42.2388 177.7033 5 G 3.7993 9.2376 105.2545 45.8127 0.0000 172.7306 6 A 4.5833 7.5645 116.5820 50.8841 22.0891 176.3745 7 D 4.7866 8.8617 121.5328 53.2322 42.6862 175.8411 8 V 4.6149 8.4090 122.4455 61.4957 34.3634 175.3482 9 T 4.4641 7.7917 124.2561 61.3137 68.6805 173.3091 10 Q 3.7885 8.4617 123.4936 56.2294 29.0861 177.4901 11 G 4.1221 8.8554 109.2117 45.8874 0.0000 172.5607 12 L 5.0851 7.9802 119.7929 52.8277 46.1689 175.1155 13 E 5.1396 9.0119 119.6349 53.9236 34.5319 175.2123 14 K 4.0655 8.4142 122.6666 58.1040 32.3725 177.0501 15 G 4.0269 9.3845 116.0401 45.0330 0.0000 173.8981 16 S 4.3111 7.9603 116.3666 58.5220 64.2970 173.5654 17 L 5.1474 8.4594 123.3629 53.4548 42.5885 175.7001 18 I 4.6123 8.4477 117.6772 58.8138 41.2754 175.1123 19 T 4.2737 8.6639 119.8015 63.7795 69.7206 173.9532 20 C 4.6951 8.6534 126.4833 57.5860 31.0922 173.8858 21 A 4.5025 8.7138 133.0796 49.4548 15.8868 174.6405 22 D 4.9670 7.5197 120.2560 52.7666 41.7013 176.8500 23 N 5.1013 8.0621 113.6833 52.9867 37.8257 177.2772 24 T 3.9302 8.2535 112.4049 63.9676 69.3048 174.9547 25 G 3.9498 7.6200 110.1052 45.2631 0.0000 173.1085 26 A 4.5760 7.4363 123.5434 51.6486 19.2701 176.8152 27 R 4.2678 8.8201 123.4339 57.9328 31.3150 175.7029 28 E 4.9977 7.9832 119.1344 54.3994 32.2377 173.9535 29 L 5.2686 9.0056 126.2238 52.7825 45.5302 175.0666 30 K 4.9224 8.6009 123.0711 54.4714 34.8380 175.3147 31 V 3.9957 8.6220 128.1417 63.2696 32.0572 175.9866 32 I 4.1592 8.3475 127.9623 62.8380 39.3904 175.7200 33 S 4.6627 7.7338 115.0923 57.4357 68.1592 173.3257 34 V 4.6300 8.1736 120.6155 61.0168 33.7113 174.3654 35 H 4.1565 9.0381 128.4666 57.9038 30.0378 175.0207 36 G 3.8598 8.5112 113.0372 46.2332 0.0000 172.4096 37 Y 4.5341 7.5795 120.0328 56.1544 40.2436 176.0113 38 S 4.1588 6.5280 117.3715 57.6111 64.3893 176.0398 39 G 4.1625 7.5797 124.5146 44.5958 0.0000 173.9469 40 T 4.4346 8.5378 118.2825 60.0018 69.8889 171.7758 41 K 3.9762 8.3694 124.9252 57.9405 32.3352 176.5845 42 N 4.5410 9.0336 122.5353 53.6991 37.4575 174.4658 43 R 3.9162 8.0135 118.9635 55.8709 30.1548 175.9111 44 L 4.1387 8.5412 126.5931 53.6777 41.8937 174.9630 45 P 4.4125 0.0000 0.0000 63.4931 31.7235 175.1047 46 K 5.0835 7.8996 122.4339 54.9280 35.2565 175.3235 47 A 4.5675 8.8723 123.8654 50.3970 22.5168 175.4452 48 G 4.5462 9.4308 108.6182 44.1051 0.0000 171.2383 49 L 3.9588 8.6104 122.4203 56.6943 42.2070 177.8734 50 G 4.0988 8.9205 114.2407 45.3485 0.0000 172.4855 51 D 4.9902 7.7060 119.7253 52.5882 43.5462 175.3503 52 K 4.7611 8.5632 123.2346 55.2489 33.8239 175.1814 53 I 4.9785 8.4399 120.7510 59.2649 41.0839 174.9447 54 T 4.5177 8.5569 121.2251 63.6915 69.8841 173.9164 55 V 5.0026 9.2507 124.3780 61.6094 36.0403 173.4140 56 S 5.1739 8.7048 117.4539 56.3818 66.7450 173.1295 57 V 4.1449 8.3664 122.4404 63.0058 31.8781 176.4133 58 T 4.1724 8.6819 125.2499 65.3271 69.3983 175.5453 59 K 4.5564 9.0973 119.3820 54.2444 35.9493 177.4274 60 G 3.9682 8.2357 109.2091 45.2815 0.0000 171.8756 61 T 4.1233 7.9571 111.3103 61.1995 69.6621 174.1913 62 P 4.3880 0.0000 0.0000 65.7377 31.7072 178.1448 63 E 4.1276 8.1756 115.9952 59.2727 29.7428 178.0401 64 M 4.2427 9.1239 119.2211 57.0781 32.7639 176.9968 65 R 4.0004 7.0156 116.7134 57.8321 30.6105 177.4737 66 R 4.0067 8.5731 118.0834 56.6475 29.3266 176.8780 67 Q 4.1549 7.6399 117.6800 55.7966 30.1773 175.6927 68 V 4.5750 8.3711 123.2891 61.6048 31.6429 174.4824 69 L 4.7758 8.5414 127.3156 52.7963 45.4909 175.1965 70 E 4.9686 8.3319 118.6819 55.7385 32.4393 174.8416 71 A 4.7505 8.1864 121.6510 51.5617 23.6518 175.1697 72 V 4.5469 8.0779 118.0630 60.9123 35.1433 174.8618 73 V 3.8742 8.3717 127.8201 63.2126 31.3840 176.1450 74 V 3.9218 8.9193 128.9359 64.2758 33.3817 175.8938 75 R 4.1237 7.4470 117.6339 54.1007 34.7615 174.3345 76 Q 4.9115 8.0144 119.0455 54.6865 31.6977 176.1457 77 R 4.4075 9.1539 120.8667 58.6405 30.4309 177.6296 78 K 4.2152 7.8816 118.9619 55.4416 32.6469 175.3632 79 P 4.9347 0.0000 0.0000 63.1305 32.8396 174.8994 80 I 4.9508 8.5921 113.8768 59.2967 41.7740 173.8077 81 R 5.0017 8.9873 123.5747 54.7701 32.3753 175.2275 82 R 4.6750 8.7489 125.2824 54.4081 31.6327 175.8460 83 P 4.3330 0.0000 0.0000 65.7397 31.4359 176.8730 84 D 4.6456 8.1086 115.2566 52.9906 39.5884 175.9582 85 G 4.1871 8.6303 110.6259 46.0689 0.0000 174.9513 86 T 4.0256 7.7149 115.3074 64.0245 69.4710 174.0533 87 R 5.1196 8.4550 123.2506 54.8533 32.7502 175.8069 88 V 4.5815 8.6190 120.7925 61.1169 35.0577 174.4108 89 K 5.0434 8.3026 124.7881 55.6414 35.5978 175.3018 90 F 4.7621 8.9460 120.5264 55.6910 41.3917 176.6897 91 E 4.0290 9.0043 120.7903 58.9191 29.6931 175.2887 92 D 4.7121 7.7059 115.5411 52.9454 42.3958 173.5422 93 N 5.2139 8.6855 114.7952 51.8181 41.2272 174.0596 94 A 5.1401 9.1116 124.0925 50.7459 23.2714 174.7235 95 A 5.1057 9.5117 121.9517 50.0032 23.5708 175.1685 96 V 4.5048 8.2465 118.5167 60.7206 34.3931 175.1015 97 I 4.3034 8.3814 129.9216 61.7911 37.9842 175.6759 98 V 5.0100 8.4229 125.6318 60.0730 35.1952 173.4980 99 D 5.0970 7.9461 118.2454 50.9854 41.9805 176.0583 100 E 3.9166 8.8664 117.3853 59.9232 29.2878 178.0809 101 N 4.7130 8.9714 113.1690 52.6391 38.6454 174.6878 102 E 3.7325 8.5386 116.8037 57.5845 27.3973 173.7275 103 D 5.2291 8.2997 118.0476 50.8095 42.3878 174.2685 104 P 4.2983 0.0000 0.0000 63.1803 31.2562 176.1398 105 R 3.9061 8.6901 124.4105 58.8713 30.2763 176.6778 106 G 4.0361 7.6611 105.2838 44.8884 0.0000 172.0154 107 T 4.4372 8.6986 113.5094 63.9129 70.8656 174.6983 108 E 4.7118 8.8733 120.6991 54.3174 33.3397 175.2900 109 L 4.7705 7.8751 125.0639 53.0252 42.1528 177.1933 110 K 4.1148 8.6962 123.8052 56.6315 33.1987 178.0589 111 G 3.8014 8.6815 112.3941 44.6398 0.0000 170.6516 112 P 4.9360 0.0000 0.0000 62.6980 32.9701 175.3383 113 I 4.7266 8.2777 118.4060 59.7257 41.9615 174.8346 114 A 4.8634 8.1473 126.5020 51.6435 19.4546 179.2675 115 R 3.9152 8.8544 118.0696 59.4890 29.1462 179.1719 116 E 4.0138 8.2696 118.7285 59.1694 29.3369 179.2887 117 V 3.4733 7.7471 118.4066 65.5335 31.5075 177.8955 118 A 3.9927 7.9408 120.4945 55.4670 18.0923 179.4452 119 Q 3.9970 7.2915 114.5690 58.8380 28.7498 179.0255 120 R 4.1732 7.0582 115.9341 55.9396 31.7517 176.2570 121 F 4.7468 7.8620 118.8459 54.5896 39.9330 175.8809 122 G 3.6913 8.6580 112.3254 47.8503 0.0000 172.6675 123 S 4.0829 8.1715 118.3641 60.3339 62.5526 176.7099 124 V 3.5640 7.8483 120.8181 65.5205 31.3229 177.5941 125 A 4.1208 8.1667 120.8371 55.1376 18.0879 181.0662 126 S 4.5682 8.8689 111.7044 58.5862 62.9198 175.1825 127 A 4.5907 7.8813 122.7978 52.0387 20.8264 176.7698 128 A 4.3629 8.5366 120.5131 52.0747 19.0984 177.9437 129 T 4.0715 8.6919 120.5143 66.4020 69.0092 174.7192 130 M 4.8265 7.8793 119.8647 53.4897 35.8125 174.5506 131 I 4.7920 8.4184 123.2682 59.4471 39.5409 175.6231 132 V 3.9247 8.5329 126.2888 62.8997 30.9984 175.6346 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 4.42 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 2 E 8.40 4.19 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 2.19 2.33 0.00 3 A 9.24 4.09 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 8.51 4.12 0.00 1.66 1.74 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.24 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 7.56 4.58 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 7 D 8.86 4.79 0.00 2.61 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 4.61 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 0.86 0.00 0.00 0.96 0.00 0.00 9 T 7.79 4.46 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 1.22 0.00 0.00 10 Q 8.46 3.79 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 11 G 8.86 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 12 L 7.98 5.09 0.00 1.70 1.48 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.01 5.14 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 2.18 2.20 0.00 14 K 8.41 4.07 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.55 7.81 15 G 9.38 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 16 S 7.96 4.31 0.00 3.79 3.77 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 17 L 8.46 5.15 0.00 1.50 1.61 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.45 4.61 2.00 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 1.19 1.18 0.88 0.00 0.00 19 T 8.66 4.27 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 1.20 0.00 0.00 20 C 8.65 4.70 0.00 3.00 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 21 A 8.71 4.50 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 22 D 7.52 4.97 0.00 2.59 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 23 N 8.06 5.10 0.00 2.76 3.03 0.00 0.00 5.70 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 8.25 3.93 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 7.62 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 26 A 7.44 4.58 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 8.82 4.27 0.00 1.76 1.94 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 28 E 7.98 5.00 0.00 2.01 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 2.26 2.29 0.00 29 L 9.01 5.27 0.00 1.53 1.48 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.60 4.92 0.00 1.79 1.61 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.62 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 0.84 0.00 0.00 0.93 0.00 0.00 32 I 8.35 4.16 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 1.22 0.91 0.91 0.00 0.00 33 S 7.73 4.66 0.00 3.74 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 8.17 4.63 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 0.99 0.00 0.00 0.80 0.00 0.00 35 H 9.04 4.16 0.00 3.21 3.34 0.00 6.13 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 8.51 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 7.58 4.53 0.00 2.94 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 38 S 6.53 4.16 0.00 3.80 3.68 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 39 G 7.58 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 40 T 8.54 4.43 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 41 K 8.37 3.98 0.00 1.75 1.74 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 9.03 4.54 0.00 2.95 3.02 0.00 0.00 7.06 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 3.92 0.00 1.78 2.08 0.00 3.36 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 44 L 8.54 4.14 0.00 1.84 1.63 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.41 0.00 2.10 2.43 0.00 3.69 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 2.10 2.06 0.00 46 K 7.90 5.08 0.00 1.62 1.71 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.10 1.11 7.81 47 A 8.87 4.57 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 48 G 9.43 4.55 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 49 L 8.61 3.96 0.00 1.74 1.61 0.97 1.40 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 50 G 8.92 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 51 D 7.71 4.99 0.00 2.65 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 52 K 8.56 4.76 0.00 1.85 1.67 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.67 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.36 1.38 7.81 53 I 8.44 4.98 1.97 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 0.58 0.87 0.00 0.00 54 T 8.56 4.52 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 55 V 9.25 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 1.02 0.00 0.00 0.95 0.00 0.00 56 S 8.70 5.17 0.00 3.89 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 57 V 8.37 4.14 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 0.93 0.00 0.00 0.91 0.00 0.00 58 T 8.68 4.17 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 1.28 0.00 0.00 59 K 9.10 4.56 0.00 1.73 1.64 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.24 3.97 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 0.00 0.00 0.00 61 T 7.96 4.12 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 4.39 0.00 2.20 2.12 0.00 3.60 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 2.11 2.16 0.00 63 E 8.18 4.13 0.00 1.95 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 2.28 0.00 64 M 9.12 4.24 0.00 1.88 2.18 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 2.68 2.63 0.00 65 R 7.02 4.00 0.00 1.82 1.88 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 66 R 8.57 4.01 0.00 1.98 2.09 0.00 3.15 0.00 0.00 3.22 7.27 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 7.64 4.15 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 68 V 8.37 4.58 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 0.82 0.00 0.00 0.93 0.00 0.00 69 L 8.54 4.78 0.00 1.61 1.52 0.90 0.89 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 70 E 8.33 4.97 0.00 1.87 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 2.30 2.28 0.00 71 A 8.19 4.75 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 72 V 8.08 4.55 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 0.37 0.00 0.00 0.15 0.00 0.00 73 V 8.37 3.87 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 0.79 0.00 0.00 0.92 0.00 0.00 74 V 8.92 3.92 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 0.78 0.00 0.00 0.91 0.00 0.00 75 R 7.45 4.12 0.00 1.49 1.22 0.00 3.18 0.00 0.00 3.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.27 0.00 76 Q 8.01 4.91 0.00 2.15 2.08 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 2.30 2.62 0.00 77 R 9.15 4.41 0.00 1.85 2.07 0.00 3.14 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 1.87 1.56 0.00 78 K 7.88 4.22 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.55 7.81 79 P 0.00 4.93 0.00 2.13 1.98 0.00 3.61 0.00 0.00 3.96 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 8.59 4.95 2.05 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 1.39 0.86 1.00 0.00 0.00 81 R 8.99 5.00 0.00 1.86 1.81 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 82 R 8.75 4.67 0.00 1.82 1.82 0.00 3.22 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 83 P 0.00 4.33 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 84 D 8.11 4.65 0.00 2.78 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 85 G 8.63 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 0.00 0.00 0.00 86 T 7.71 4.03 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 1.19 0.00 0.00 87 R 8.46 5.12 0.00 1.67 1.91 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 1.55 1.55 0.00 88 V 8.62 4.58 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 0.75 0.00 0.00 0.90 0.00 0.00 89 K 8.30 5.04 0.00 1.97 1.73 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.43 7.81 90 F 8.95 4.76 0.00 3.19 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 91 E 9.00 4.03 0.00 1.96 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 2.31 2.27 0.00 92 D 7.71 4.71 0.00 2.69 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 8.69 5.21 0.00 2.62 2.70 0.00 0.00 6.49 7.43 0.00 0.00 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 9.11 5.14 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 95 A 9.51 5.11 1.16 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 96 V 8.25 4.50 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 0.93 0.00 0.00 97 I 8.38 4.30 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 1.24 0.43 0.90 0.00 0.00 98 V 8.42 5.01 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 0.62 0.00 0.00 0.88 0.00 0.00 99 D 7.95 5.10 0.00 2.91 2.81 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 0.00 0.00 0.00 0.00 100 E 8.87 3.92 0.00 1.97 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 0.00 2.33 2.37 0.00 101 N 8.97 4.71 0.00 2.96 2.85 0.00 0.00 7.11 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 0.00 102 E 8.54 3.73 0.00 2.19 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 0.00 2.28 2.32 0.00 103 D 8.30 5.23 0.00 2.90 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 4.30 0.00 2.15 2.08 0.00 3.78 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 1.98 0.00 105 R 8.69 3.91 0.00 1.77 1.99 0.00 3.23 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 106 G 7.66 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 0.00 0.00 0.00 107 T 8.70 4.44 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 8.87 4.71 0.00 1.84 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 2.21 2.25 0.00 109 L 7.88 4.77 0.00 1.60 1.61 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.70 4.11 0.00 1.63 1.74 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.44 7.81 111 G 8.68 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 0.00 112 P 0.00 4.94 0.00 2.27 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 2.18 2.12 0.00 113 I 8.28 4.73 1.90 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 1.13 0.83 0.92 0.00 0.00 114 A 8.15 4.86 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 0.00 115 R 8.85 3.92 0.00 2.08 2.25 0.00 2.99 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 116 E 8.27 4.01 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 2.57 0.00 117 V 7.75 3.47 2.15 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 1.32 0.00 0.00 1.05 0.00 0.00 118 A 7.94 3.99 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 0.00 119 Q 7.29 4.00 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 120 R 7.06 4.17 0.00 1.24 0.66 0.00 2.99 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.40 0.00 121 F 7.86 4.75 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 8.66 3.69 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 0.00 0.00 0.00 123 S 8.17 4.08 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 0.00 124 V 7.85 3.56 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 1.03 0.00 0.00 0.93 0.00 0.00 125 A 8.17 4.12 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 0.00 126 S 8.87 4.57 0.00 4.00 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 7.88 4.59 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 0.00 128 A 8.54 4.36 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 8.69 4.07 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 1.22 0.00 0.00 130 M 7.88 4.83 0.00 1.95 1.95 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 2.59 2.54 0.00 131 I 8.42 4.79 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 1.26 0.64 0.95 0.00 0.00 132 V 8.53 3.92 2.15 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 0.64 0.00 0.00 0.98 0.00 0.00