NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3770 8.3344 115.4115 58.0379 64.2292 174.2192 2 M 4.1200 8.2827 121.2405 55.4029 29.8608 173.7006 3 Q 4.2057 8.4169 122.9590 56.0442 30.6700 174.9160 4 D 4.7331 7.6718 116.9225 50.9442 41.9933 173.8941 5 P 4.1454 0.0000 0.0000 65.5810 31.4869 178.1331 6 I 3.5851 7.8507 118.8979 64.2335 37.0797 177.6222 7 A 3.9240 8.5123 121.4434 55.4792 18.0850 179.0088 8 D 4.3433 7.5049 117.1013 57.0650 41.4251 178.1200 9 M 3.9503 7.6928 118.3964 58.6726 32.2963 178.0812 10 L 3.9234 7.9168 119.0825 57.9502 41.7021 179.4118 11 T 3.7887 8.3987 109.8265 65.1441 68.5721 176.1281 12 R 3.9174 8.3307 122.2034 59.1185 30.0923 178.6028 13 I 3.6971 7.6815 118.9473 64.2640 37.0901 178.3654 14 R 3.8994 7.9775 116.0476 59.8585 29.1867 178.6667 15 N 4.5017 8.5749 117.3794 55.6062 38.3037 177.8013 16 G 3.5975 8.1861 107.4855 47.9053 0.0000 175.7841 17 Q 4.1246 8.7399 122.4318 58.0997 28.4857 179.0601 18 A 4.1075 7.9469 120.5249 54.6673 18.5156 178.6169 19 A 4.2802 7.6651 116.1109 51.7278 18.8161 177.2060 20 N 4.3394 7.9052 112.8190 53.7984 37.0269 174.6523 21 K 4.0225 7.8491 117.4506 56.2202 32.2988 176.6036 22 A 3.9929 8.5605 126.0774 55.1386 18.9395 177.3501 23 A 5.1687 7.4063 117.6156 51.2836 22.5230 174.5079 24 V 4.6713 8.6332 112.2999 61.1405 35.0535 173.9096 25 T 5.3162 8.3336 112.3346 59.3026 72.1790 172.2973 26 M 4.3981 7.9937 118.4053 53.9767 34.0390 171.9628 27 P 5.2412 0.0000 0.0000 62.5567 31.8022 176.5431 28 S 4.7342 8.6756 119.4573 57.9326 64.9163 173.3654 29 S 4.5939 8.6480 111.7314 56.5247 65.1021 176.5603 30 K 4.2467 8.3176 122.9459 59.3915 31.9710 178.5719 31 L 3.8855 7.8890 119.9894 58.2558 42.2368 178.6617 32 K 3.7782 7.5524 117.0532 60.0466 32.0024 178.8697 33 V 3.3711 7.9671 117.8839 65.4500 31.4601 177.6236 34 A 3.9296 7.8613 120.0958 55.4369 18.3154 179.5202 35 I 3.5371 7.6842 117.6233 64.5325 37.2521 178.2693 36 A 3.7406 7.6644 121.3124 55.1550 18.0473 178.8545 37 N 4.2637 8.1511 115.5426 57.1578 39.1256 176.9286 38 V 3.6639 7.7664 119.2439 66.1854 31.4513 177.8581 39 L 4.2057 7.9809 118.5668 57.8288 41.4796 179.4883 40 K 4.2125 8.2097 119.4864 59.4622 32.0430 178.6934 41 E 4.1738 8.7139 117.9211 58.2290 29.3830 177.9610 42 E 4.4705 7.6854 116.4803 54.8974 30.1414 175.7306 43 G 3.7317 7.7944 106.7548 46.9104 0.0000 174.9391 44 F 4.8314 8.2509 118.8697 57.2636 40.1803 176.3206 45 I 4.7633 7.3212 112.2531 58.9994 40.4547 174.8578 46 E 4.1469 9.1255 122.3105 58.5721 30.0159 176.2424 47 D 4.7234 7.8806 117.8571 56.1113 47.3800 174.0607 48 F 4.9903 8.2382 110.1262 56.9591 40.1063 173.0134 49 K 4.6665 8.8328 120.7906 55.0262 36.4592 175.4111 50 V 5.0120 8.2135 122.2423 58.7727 32.6892 174.8355 51 E 4.2337 8.6522 128.7446 56.2988 31.6238 175.0147 52 G 4.4780 8.6211 108.7125 46.4457 0.0000 171.9740 53 D 4.6769 7.9318 117.7734 56.1131 43.0241 178.1804 54 T 3.8900 7.8563 114.4024 64.6765 67.8529 175.1961 55 K 4.3798 7.7151 124.4456 53.7910 31.7010 173.3390 56 P 4.6510 0.0000 0.0000 62.7658 32.8243 175.0621 57 E 5.1121 9.1233 122.8021 54.5779 33.6183 174.7326 58 L 4.9595 8.4400 122.2495 52.8052 43.1189 174.6796 59 E 4.6140 9.5483 127.1260 56.2990 27.2270 175.2067 60 L 4.7584 8.5728 123.0261 54.2497 43.1287 176.2827 61 T 4.5220 8.3439 117.6729 61.5921 69.7719 174.1668 62 L 4.7488 8.1176 122.2586 53.3335 44.0672 175.7371 63 K 4.8049 8.3799 122.5878 54.9207 35.3905 174.6004 64 Y 4.8463 8.5973 123.2574 55.8945 41.4544 174.9531 65 F 4.6672 8.6972 130.1638 59.6197 39.5711 177.6646 66 Q 4.1305 8.3985 126.1050 55.5883 29.6313 178.4391 67 G 3.9794 8.4867 112.3053 46.5282 0.0000 172.5237 68 K 4.6645 8.6494 119.9053 54.1546 35.7126 174.7153 69 A 4.4599 8.3624 124.7796 50.7557 19.4446 177.3440 70 V 3.5268 7.5377 122.1117 66.4395 31.7590 177.2223 71 V 3.7112 7.7611 128.2319 63.1539 30.0989 175.5950 72 E 4.1868 8.4987 125.4187 58.0632 30.4889 177.1796 73 S 4.4074 7.5346 111.7980 57.3966 65.9417 173.9410 74 I 4.4698 8.3034 127.2025 60.1275 40.1291 173.6858 75 Q 4.7257 8.3960 128.1575 53.5079 32.3285 175.5475 76 R 3.8409 8.4938 122.1542 57.6785 30.6526 174.4469 77 V 3.7695 8.5156 120.1426 63.2707 33.1760 176.9945 78 S 4.3060 7.8364 116.4089 57.7274 60.9540 173.4009 79 R 4.1100 7.2826 119.5877 54.5321 30.9267 175.0238 80 P 4.3397 0.0000 0.0000 62.8676 31.9461 176.5366 81 G 3.9856 8.5183 103.4272 45.6033 0.0000 173.6706 82 L 4.7189 6.9471 116.7107 54.8337 44.4352 173.3896 83 R 4.1385 7.8559 120.9763 55.9624 31.5527 176.5251 84 I 4.5729 8.0824 119.7325 60.3555 41.4369 174.0099 85 Y 4.7785 8.7881 124.1979 56.0867 40.8443 175.0653 86 K 4.7810 8.4870 120.9712 54.6444 36.5433 176.0229 87 R 4.6156 8.3172 120.9013 54.5222 31.6586 177.8364 88 K 3.9387 8.6830 118.4069 59.9979 32.2442 177.3504 89 D 4.8007 8.0024 116.2415 52.7714 39.4711 176.1578 90 E 4.4808 8.3904 120.8449 56.2933 31.4705 175.9877 91 L 3.8720 8.1503 117.8491 54.6146 41.8337 175.3966 92 P 4.3436 0.0000 0.0000 62.5676 31.8718 176.3027 93 K 4.2094 7.8992 120.8278 53.6883 32.0479 174.4737 94 V 3.1335 7.9293 123.9868 64.0554 32.4394 175.5196 95 M 3.1551 9.2635 127.2175 57.8957 30.0790 175.9171 96 A 3.9840 9.0294 114.9794 53.2137 17.2218 177.0738 97 G 4.2017 8.3474 108.0334 47.5163 0.0000 176.0873 98 L 4.0186 8.0917 119.3515 56.9363 41.7691 177.4572 99 G 4.3717 7.9710 104.8493 44.6292 0.0000 173.0322 100 I 4.8742 8.7602 113.5144 58.9194 40.9638 174.7381 101 A 5.1225 9.8253 125.0471 48.4987 20.9781 174.9687 102 V 3.7808 8.4054 121.1780 64.3283 32.6380 174.8686 103 V 4.6531 8.6489 127.7436 61.1356 35.5028 174.4617 104 S 4.8904 9.0886 122.5403 57.3030 63.1641 173.5446 105 T 4.8204 8.3452 118.5663 60.0890 70.9993 175.6769 106 S 4.3753 8.7792 114.8982 59.6805 62.4971 174.2274 107 K 4.3472 9.1876 117.9779 56.0271 33.5212 176.4384 108 G 4.1988 6.7562 107.7526 44.2434 0.0000 172.0349 109 V 4.2333 7.7451 120.7106 62.6054 30.7824 174.4707 110 M 4.9065 8.4645 125.8908 52.9999 35.0084 175.0684 111 T 4.5920 8.2609 108.4212 61.1043 70.5702 175.5233 112 D 4.3614 8.4787 122.4992 57.0972 39.2882 178.6242 113 R 3.8160 8.1634 119.7433 59.5492 29.8458 177.2511 114 A 3.8972 7.9329 119.3266 55.5711 18.2707 179.0159 115 A 3.9308 8.1477 116.7834 55.4322 18.3867 179.6540 116 R 3.8530 8.1121 115.9726 59.8550 30.1560 178.2545 117 Q 4.1731 7.9747 116.7997 58.4271 28.8250 177.8580 118 A 4.1440 8.1782 120.8349 52.8540 18.7260 177.1059 119 G 3.7574 8.9442 105.0093 45.5792 0.0000 173.3375 120 L 4.6325 7.7609 116.6040 54.2432 43.8374 175.1046 121 G 4.2345 8.5574 107.0564 45.0700 0.0000 171.6486 122 G 4.3045 7.8493 106.2306 45.0268 0.0000 171.6411 123 E 4.1660 8.7565 121.3541 55.6079 30.2365 176.7661 124 I 4.1698 7.6772 126.8433 62.3126 37.8791 175.6764 125 I 4.5899 8.3600 120.9087 62.7813 41.9907 175.1455 126 C 4.6592 7.6427 113.7323 57.4458 32.5592 172.7050 127 Y 5.3040 7.6787 115.9103 56.5467 36.4720 176.2531 128 V 3.4800 7.9753 119.4529 62.8389 32.8176 176.5625 129 A 4.3335 8.0288 130.2514 52.1834 19.0088 176.3450 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 8.33 4.38 0.00 3.99 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 2 M 8.28 4.12 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.42 4.21 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 4 D 7.67 4.73 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.15 0.00 2.28 2.27 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.85 3.59 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 1.53 1.03 0.85 0.00 0.00 7 A 8.51 3.92 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.50 4.34 0.00 2.56 2.84 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 0.00 0.00 0.00 0.00 9 M 7.69 3.95 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 10 L 7.92 3.92 0.00 1.80 1.63 0.84 0.41 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 11 T 8.40 3.79 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 12 R 8.33 3.92 0.00 2.09 2.05 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 13 I 7.68 3.70 2.02 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 1.55 0.78 0.86 0.00 0.00 14 R 7.98 3.90 0.00 2.02 2.16 0.00 2.75 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 15 N 8.57 4.50 0.00 2.94 2.91 0.00 0.00 6.94 8.55 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 16 G 8.19 3.60 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 0.00 0.00 0.00 17 Q 8.74 4.12 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 18 A 7.95 4.11 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 19 A 7.67 4.28 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 20 N 7.91 4.34 0.00 2.87 2.80 0.00 0.00 6.94 7.26 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 21 K 7.85 4.02 0.00 1.91 1.95 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 22 A 8.56 3.99 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 23 A 7.41 5.17 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 24 V 8.63 4.67 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 0.76 0.00 0.00 0.95 0.00 0.00 25 T 8.33 5.32 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 1.24 0.00 0.00 26 M 7.99 4.40 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 27 P 0.00 5.24 0.00 2.10 2.12 0.00 3.36 0.00 0.00 5.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 28 S 8.68 4.73 0.00 3.92 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 29 S 8.65 4.59 0.00 3.97 3.94 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 30 K 8.32 4.25 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.56 7.81 31 L 7.89 3.89 0.00 1.74 1.64 0.91 0.43 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 32 K 7.55 3.78 0.00 2.10 1.83 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 33 V 7.97 3.37 2.28 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 0.90 0.00 0.00 1.02 0.00 0.00 34 A 7.86 3.93 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 35 I 7.68 3.54 1.90 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 1.41 0.84 0.85 0.00 0.00 36 A 7.66 3.74 0.71 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 37 N 8.15 4.26 0.00 2.76 3.03 0.00 0.00 6.89 7.58 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 38 V 7.77 3.66 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 1.02 0.00 0.00 1.01 0.00 0.00 39 L 7.98 4.21 0.00 1.93 1.79 0.86 0.75 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 40 K 8.21 4.21 0.00 2.07 2.18 0.00 1.84 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.57 7.81 41 E 8.71 4.17 0.00 2.10 2.02 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 2.65 2.54 0.00 42 E 7.69 4.47 0.00 2.11 1.73 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 2.55 2.56 0.00 43 G 7.79 3.73 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 0.00 0.00 0.00 44 F 8.25 4.83 0.00 3.25 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 45 I 7.32 4.76 2.09 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 1.57 0.64 0.98 0.00 0.00 46 E 9.13 4.15 0.00 2.06 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 0.00 2.40 2.34 0.00 47 D 7.88 4.72 0.00 2.74 2.45 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 48 F 8.24 4.99 0.00 3.07 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 49 K 8.83 4.67 0.00 1.79 1.75 0.00 1.41 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.46 7.81 50 V 8.21 5.01 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 1.18 0.00 0.00 1.03 0.00 0.00 51 E 8.65 4.23 0.00 2.33 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 2.37 2.32 0.00 52 G 8.62 4.48 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 0.00 53 D 7.93 4.68 0.00 2.67 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 54 T 7.86 3.89 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 55 K 7.72 4.38 0.00 1.82 1.76 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.35 7.81 56 P 0.00 4.65 0.00 2.13 2.19 0.00 3.62 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 1.97 0.00 57 E 9.12 5.11 0.00 2.14 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 0.00 2.20 2.27 0.00 58 L 8.44 4.96 0.00 1.83 1.53 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.55 4.61 0.00 2.12 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 2.36 2.35 0.00 60 L 8.57 4.76 0.00 1.85 1.76 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.34 4.52 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 1.27 0.00 0.00 62 L 8.12 4.75 0.00 1.97 1.80 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.38 4.80 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 64 Y 8.60 4.85 0.00 3.04 3.01 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 0.00 0.00 0.00 65 F 8.70 4.67 0.00 3.00 2.91 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 66 Q 8.40 4.13 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 67 G 8.49 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 68 K 8.65 4.66 0.00 1.78 1.69 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.47 7.81 69 A 8.36 4.46 1.09 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 70 V 7.54 3.53 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 0.99 0.00 0.00 1.04 0.00 0.00 71 V 7.76 3.71 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 0.69 0.00 0.00 0.91 0.00 0.00 72 E 8.50 4.19 0.00 2.13 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 0.00 2.26 2.26 0.00 73 S 7.53 4.41 0.00 3.86 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 74 I 8.30 4.47 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 0.83 0.00 0.00 75 Q 8.40 4.73 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 76 R 8.49 3.84 0.00 1.71 1.73 0.00 3.14 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 77 V 8.52 3.77 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 0.49 0.00 0.00 -0.29 0.00 0.00 78 S 7.84 4.31 0.00 3.67 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 79 R 7.28 4.11 0.00 1.90 1.85 0.00 3.05 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 80 P 0.00 4.34 0.00 2.22 2.23 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 81 G 8.52 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 82 L 6.95 4.72 0.00 1.57 1.52 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.86 4.14 0.00 2.01 1.66 0.00 3.55 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 84 I 8.08 4.57 1.71 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 1.19 1.19 0.88 0.00 0.00 85 Y 8.79 4.78 0.00 2.77 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 86 K 8.49 4.78 0.00 1.74 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.56 7.81 87 R 8.32 4.62 0.00 2.05 1.87 0.00 3.15 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 88 K 8.68 3.94 0.00 1.87 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 8.00 4.80 0.00 2.80 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 90 E 8.39 4.48 0.00 1.85 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 0.00 2.24 2.30 0.00 91 L 8.15 3.87 0.00 1.67 1.66 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.34 0.00 1.89 2.02 0.00 3.73 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 1.95 2.07 0.00 93 K 7.90 4.21 0.00 1.64 1.68 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 94 V 7.93 3.13 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 0.84 0.00 0.00 0.64 0.00 0.00 95 M 9.26 3.16 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 96 A 9.03 3.98 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 97 G 8.35 4.20 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 0.00 98 L 8.09 4.02 0.00 1.69 1.77 0.92 0.98 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 99 G 7.97 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.76 4.87 1.97 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 1.63 1.21 1.08 0.00 0.00 101 A 9.83 5.12 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 0.00 102 V 8.41 3.78 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 0.91 0.00 0.00 0.92 0.00 0.00 103 V 8.65 4.65 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 0.97 0.00 0.00 1.07 0.00 0.00 104 S 9.09 4.89 0.00 3.91 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 0.00 105 T 8.35 4.82 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 1.23 0.00 0.00 106 S 8.78 4.38 0.00 3.87 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 0.00 107 K 9.19 4.35 0.00 1.79 1.84 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.51 7.81 108 G 6.76 4.20 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 0.00 109 V 7.75 4.23 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 0.86 0.00 0.00 0.93 0.00 0.00 110 M 8.46 4.91 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 111 T 8.26 4.59 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 1.29 0.00 0.00 112 D 8.48 4.36 0.00 2.93 3.11 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 0.00 113 R 8.16 3.82 0.00 1.86 2.00 0.00 3.36 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 114 A 7.93 3.90 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 A 8.15 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.85 0.00 1.95 2.21 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 117 Q 7.97 4.17 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 118 A 8.18 4.14 1.33 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 0.00 0.00 0.00 119 G 8.94 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 0.00 120 L 7.76 4.63 0.00 1.62 1.61 0.93 0.95 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 0.00 121 G 8.56 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 0.00 0.00 0.00 0.00 122 G 7.85 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 0.00 0.00 0.00 0.00 123 E 8.76 4.17 0.00 2.08 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 2.02 1.61 0.00 124 I 7.68 4.17 1.79 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 1.27 0.63 0.99 0.00 0.00 125 I 8.36 4.59 2.02 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 1.21 0.92 0.84 0.00 0.00 126 C 7.64 4.66 0.00 2.95 2.87 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 0.00 127 Y 7.68 5.30 0.00 2.80 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 0.00 128 V 7.98 3.48 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 -0.25 0.00 0.00 0.73 0.00 0.00 129 A 8.03 4.33 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