NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8172 8.3544 109.7193 45.0006 0.0000 173.8452 4 D 4.2173 8.3305 121.8438 52.6089 42.5078 175.4912 5 K 3.8770 9.5038 129.0191 59.7928 32.6279 178.4484 6 K 3.9849 8.0232 118.0823 59.0477 31.9910 179.4077 7 V 3.5641 8.3450 119.3232 65.9960 31.3931 178.2110 8 I 3.8014 7.8583 119.6899 64.2152 36.9126 178.1918 9 Q 3.9290 8.0847 120.5694 59.3101 28.8400 177.9500 10 H 4.1502 8.3771 117.4333 58.9562 28.7225 177.6594 11 L 4.0149 8.3326 121.1136 58.0922 41.4792 179.4787 12 N 4.3595 8.4360 116.2358 55.6553 38.4003 177.6007 13 K 3.9165 7.9590 121.4531 59.5562 32.3148 178.7171 14 I 3.6970 7.8282 120.1510 64.4472 37.0284 177.9611 15 L 4.0442 8.2246 121.2239 58.2311 41.9374 179.2480 16 G 3.6179 8.1678 105.4619 47.8533 0.0000 175.1692 17 N 4.3099 8.1987 118.9292 56.3109 38.5239 177.2434 18 E 3.9981 8.4501 120.0752 59.5005 29.2275 179.5135 19 L 3.9522 8.1141 119.0270 57.6255 41.5331 179.6630 20 I 3.6338 7.6977 119.5036 64.2684 37.0087 178.3142 21 A 3.2325 7.8323 121.5145 54.7753 18.1295 179.4212 22 I 3.6118 7.7316 118.5403 64.9195 37.2115 178.4353 23 N 4.3731 7.7348 116.5873 56.1543 38.3422 177.3376 24 Q 3.8382 8.0834 121.1336 59.5782 29.1315 178.0998 25 Y 4.7735 8.0034 119.4430 60.5484 37.9710 178.3231 26 F 3.9787 8.3383 121.7807 61.0937 39.4942 177.0489 27 L 3.9799 8.2714 120.0905 58.5117 41.8760 178.4481 28 H 3.8151 8.4685 116.6204 58.7943 28.5334 177.4837 29 S 4.3388 8.4413 115.1728 61.8588 62.2107 176.6673 30 R 3.8481 7.7199 120.0966 59.0694 29.7213 178.9980 31 M 3.4493 7.8727 118.8546 57.7712 31.8031 178.6671 32 W 4.5050 7.8687 119.1341 60.1113 29.4219 178.3102 33 N 4.4046 8.4193 116.4096 56.4388 37.7062 177.0020 34 D 4.3683 7.9389 118.6372 56.6702 41.3857 177.4830 35 W 4.8548 7.9229 117.2648 56.7993 29.3526 177.1293 36 G 3.9766 7.9017 106.9151 46.4307 0.0000 175.6902 37 L 4.5378 7.8366 122.0867 53.5655 38.2985 177.5257 38 K 4.1410 8.4260 120.9859 58.8420 32.7194 179.2256 39 R 3.8834 7.8305 119.2851 59.1491 29.9836 178.4736 40 L 3.7719 7.7498 118.5057 57.6323 41.5893 179.3988 41 G 3.8583 8.1722 105.3962 47.9422 0.0000 175.5651 42 A 4.0186 8.2661 123.2000 55.1840 18.5608 179.2667 43 H 3.9938 8.1381 116.4055 59.2831 29.3799 177.1731 44 E 4.0104 8.4386 121.3315 59.1015 29.4753 177.9963 45 Y 4.0797 8.0807 119.7920 61.2315 38.8579 178.1103 46 H 4.0464 8.1793 116.7232 58.4564 28.7648 177.8495 47 E 3.7982 7.8665 120.4709 59.2160 29.2750 178.7627 48 S 4.2899 8.3298 113.5300 61.8348 62.4195 176.3073 49 I 3.6009 7.6003 122.0460 64.6001 36.8064 177.9633 50 D 4.3305 8.0284 119.5295 57.6339 40.6022 178.9200 51 E 4.0844 8.0990 118.5774 59.2333 29.5185 178.8823 52 M 4.0026 8.3965 119.3701 58.7116 32.0496 179.0674 53 K 4.0717 8.0748 118.0717 59.4038 32.0727 179.3112 54 H 4.3022 8.1394 116.7363 58.6937 28.5362 177.5910 55 A 3.9744 8.2149 122.6634 55.1071 18.2494 178.7721 56 D 4.3200 8.1364 116.6140 57.8870 41.2109 179.0782 57 K 4.0221 7.9152 118.1656 59.2027 32.0153 179.2636 58 L 3.9746 8.2744 119.7174 58.0760 41.6442 179.6099 59 I 3.7507 8.0233 119.7432 64.5675 37.0318 178.4273 60 E 4.0107 8.3433 119.3601 59.3484 29.2944 179.4366 61 R 4.0277 8.1016 118.8651 59.4478 30.1198 178.5436 62 I 3.7522 8.3037 120.1155 64.3843 36.9831 178.4876 63 L 4.0069 7.9949 119.8082 57.6674 41.2887 178.9471 64 F 4.2565 8.1804 119.5886 61.4578 39.3198 176.4206 65 L 3.9369 7.6870 114.8953 54.0880 41.5298 176.5522 66 E 3.7123 8.1168 117.8404 57.3679 27.2654 174.8961 67 G 3.8652 8.1427 108.5385 44.4487 0.0000 173.7689 68 L 4.5557 7.9865 118.9384 51.9743 42.4030 175.2148 69 P 4.3931 0.0000 0.0000 62.4701 31.8053 175.9937 70 N 4.7169 9.3708 122.0713 52.4443 38.7217 173.8032 71 L 4.6336 8.3707 124.7917 54.5430 42.1889 177.2552 72 Q 4.2272 8.6596 122.5642 57.0221 29.9918 175.3505 73 D 4.5528 8.1786 117.8458 52.9365 40.9182 175.3445 74 L 4.4807 8.2889 127.0845 52.7807 43.2020 176.5059 75 G 3.7992 8.3306 115.8875 44.5424 0.0000 171.5989 76 K 4.0987 8.3260 120.8416 55.7188 32.2321 176.6704 77 L 4.1567 8.3774 126.9301 54.5154 42.2571 177.1718 78 L 4.4828 8.6782 123.8799 53.1351 41.1904 174.8268 79 I 4.3069 7.9836 123.4863 59.2862 38.2483 176.6485 80 G 3.9713 8.7423 115.0357 45.0509 0.0000 172.5379 81 E 4.7425 8.7436 114.9135 55.6689 30.4989 175.5617 82 N 5.0263 7.6089 116.8848 51.0530 41.9808 174.8051 83 T 4.3218 8.5356 114.0050 65.1762 67.4455 175.9029 84 Q 3.9916 8.1892 121.4469 59.1674 29.2302 177.7458 85 E 4.0078 8.8102 119.8504 59.6878 29.4488 179.2507 86 M 3.9542 8.4023 119.0178 58.3782 31.8836 178.8856 87 L 4.1803 8.0568 118.8134 57.7485 41.8489 179.2717 88 Q 3.9731 8.3458 119.6662 59.2407 29.0020 177.9471 89 C 4.1693 8.7362 118.1386 63.0946 28.2366 175.8664 90 D 4.7095 8.4642 120.4235 57.3923 40.4390 178.6975 91 L 4.0390 8.2758 120.9497 58.2067 42.2199 178.6474 92 N 4.3634 8.7173 116.8888 56.3978 38.4793 177.1225 93 L 4.0491 8.1630 121.5971 58.2395 42.0785 178.9163 94 E 4.1127 8.5451 118.6651 59.3504 29.5044 179.2982 95 L 4.0281 8.1189 119.2171 57.5584 41.6581 179.4729 96 K 3.9947 8.1003 119.0785 59.2951 32.1656 178.7849 97 A 4.0201 8.1820 121.2232 55.5168 18.3323 179.6827 98 T 3.8495 8.2757 114.5741 66.6803 68.3689 176.7872 99 K 3.9893 8.0096 121.0556 59.5894 32.2594 178.5862 100 D 4.4139 8.1271 119.1962 57.3359 40.6275 178.8531 101 L 4.0069 8.0110 119.4561 57.8552 41.6892 179.7002 102 R 3.9344 8.0398 117.9826 59.4419 30.1412 179.0615 103 E 4.0076 8.1012 118.0614 59.1345 29.4204 179.2868 104 A 3.5799 7.9541 121.0272 55.1058 18.4467 179.7935 105 I 3.7106 8.1332 118.7351 64.2303 37.0582 178.9346 106 V 3.5512 7.7214 119.2836 66.2292 31.3889 177.5786 107 H 3.9842 8.0362 117.5717 59.3450 29.6061 176.9068 108 C 4.0494 8.1245 118.5462 62.8128 28.0050 175.7545 109 E 3.9080 8.1085 120.7331 59.3668 29.0428 178.5343 110 Q 3.9882 7.9889 118.3438 58.7665 29.0991 177.7930 111 V 3.9749 7.3526 110.3651 60.4423 31.8926 175.4788 112 H 2.9616 7.5966 114.1532 56.9079 26.7561 176.2289 113 D 4.4951 7.6965 120.6511 53.6090 38.9953 175.1310 114 Y 4.3257 7.6128 122.1636 60.1669 38.4401 177.2966 115 V 3.7531 7.9043 119.0744 65.8298 31.8057 178.1104 116 S 4.1739 8.6210 115.1509 61.3769 62.6296 176.4944 117 R 3.9010 7.9953 121.4462 59.5037 29.8216 178.0474 118 D 4.3210 8.1311 117.7575 57.1875 41.2152 177.8675 119 L 3.9422 7.8462 120.6278 58.3554 42.1374 179.0750 120 L 4.0138 8.0270 118.8302 57.5694 41.5287 179.4092 121 K 3.9878 8.7382 120.0587 59.5470 32.0904 178.6725 122 D 4.3738 8.3166 119.3342 57.3471 40.7268 178.7526 123 I 3.5136 7.7522 120.4337 64.1424 36.9542 178.2919 124 L 3.9530 7.8898 121.2554 58.0600 41.9570 178.5405 125 E 3.9022 8.2804 119.3559 59.4015 29.5425 178.8024 126 S 4.1318 7.9666 112.7744 61.1963 62.3456 175.9827 127 E 4.0027 8.2472 121.5392 59.3131 29.1633 179.1062 128 E 4.0041 8.5886 119.0872 59.2922 29.4513 179.2062 129 E 4.0341 8.2968 118.8607 59.7176 29.5179 178.9752 130 H 4.3826 8.2226 116.2820 59.0317 28.7661 177.9935 131 I 3.7985 8.2029 121.8626 64.2096 36.8780 177.6221 132 D 4.3189 8.2392 119.0196 57.7033 40.9346 177.6030 133 Y 4.1624 8.1685 119.6495 60.9267 38.7725 178.4016 134 L 3.5217 7.9369 119.4118 57.8450 41.8009 179.4644 135 E 3.9464 8.6634 118.7713 59.5310 29.2247 179.6337 136 T 3.8290 8.0463 116.1657 66.7113 68.5034 176.7990 137 Q 3.7631 7.9005 120.1267 58.6397 28.7047 178.7831 138 L 3.8515 7.6598 120.1622 57.7118 41.8044 179.7877 139 G 3.6732 8.4140 105.9910 47.7914 0.0000 175.7472 140 L 4.0464 8.0741 121.4491 57.5790 41.4768 179.5472 141 I 3.5971 7.3932 119.8239 64.3340 36.6758 178.4924 142 Q 3.9852 7.3869 116.8752 58.6983 28.6993 178.2702 143 K 4.1575 7.7921 118.0903 58.6782 32.3759 178.9563 144 V 4.1500 8.2409 110.4995 60.0863 32.7722 177.2531 145 G 4.0900 7.4199 105.1962 45.7712 0.0000 174.4420 146 L 3.9683 8.4762 122.1845 58.1212 42.1310 179.4215 147 E 3.9815 8.1221 118.0360 59.3835 29.3914 178.9063 148 N 4.2985 8.1129 116.0472 56.5416 38.5030 176.5355 149 Y 3.9764 8.0249 119.6963 60.7503 39.1153 178.0156 150 L 4.0943 8.4109 120.1954 57.6185 41.8703 178.9122 151 Q 3.9121 8.2101 119.7444 59.5840 28.7753 178.8778 152 S 4.2301 8.0607 113.7372 60.3768 62.8997 174.6489 153 H 4.6541 7.6108 118.7198 55.6549 29.4280 176.1746 154 M 4.0295 7.9784 120.9386 58.4816 32.2728 175.4842 155 H 5.1703 7.6038 114.3460 53.8105 30.6647 174.9906 156 E 4.1382 8.7355 121.7672 56.8031 29.2527 176.8533 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 3 G 8.35 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 0.00 0.00 0.00 4 D 8.33 4.22 0.00 2.85 2.53 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 0.00 0.00 0.00 0.00 5 K 9.50 3.88 0.00 1.83 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.02 3.98 0.00 1.68 1.63 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.44 7.81 7 V 8.34 3.56 2.23 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 1.11 0.00 0.00 0.95 0.00 0.00 8 I 7.86 3.80 2.01 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 1.39 0.54 0.89 0.00 0.00 9 Q 8.08 3.93 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 10 H 8.38 4.15 0.00 3.44 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.33 4.01 0.00 1.79 1.74 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.44 4.36 0.00 2.83 2.86 0.00 0.00 6.66 6.88 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 13 K 7.96 3.92 0.00 1.94 1.97 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.83 3.70 2.00 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 1.70 0.82 0.92 0.00 0.00 15 L 8.22 4.04 0.00 1.80 1.88 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.17 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 0.00 0.00 0.00 17 N 8.20 4.31 0.00 3.03 2.90 0.00 0.00 7.05 7.11 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 18 E 8.45 4.00 0.00 2.13 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 2.59 2.54 0.00 19 L 8.11 3.95 0.00 1.82 1.68 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.70 3.63 1.92 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 1.42 0.81 0.89 0.00 0.00 21 A 7.83 3.23 1.06 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 22 I 7.73 3.61 1.96 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 1.56 0.84 0.89 0.00 0.00 23 N 7.73 4.37 0.00 2.75 2.83 0.00 0.00 6.75 7.62 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 24 Q 8.08 3.84 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 25 Y 8.00 4.77 0.00 3.08 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 26 F 8.34 3.98 0.00 3.36 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 27 L 8.27 3.98 0.00 1.83 1.81 0.87 0.89 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 28 H 8.47 3.82 0.00 3.39 2.82 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.44 4.34 0.00 4.00 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 30 R 7.72 3.85 0.00 1.88 1.86 0.00 2.92 0.00 0.00 2.51 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 31 M 7.87 3.45 0.00 0.85 1.54 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.15 0.00 32 W 7.87 4.50 0.00 3.61 3.29 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 33 N 8.42 4.40 0.00 2.85 2.85 0.00 0.00 6.73 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 34 D 7.94 4.37 0.00 2.57 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 35 W 7.92 4.85 0.00 3.78 3.16 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 36 G 7.90 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 37 L 7.84 4.54 0.00 2.15 1.67 1.23 0.90 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 38 K 8.43 4.14 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 7.83 3.88 0.00 1.81 1.93 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 40 L 7.75 3.77 0.00 1.39 0.28 0.49 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.17 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 42 A 8.27 4.02 1.37 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 43 H 8.14 3.99 0.00 3.32 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.44 4.01 0.00 2.57 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 2.78 2.63 0.00 45 Y 8.08 4.08 0.00 3.01 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 46 H 8.18 4.05 0.00 3.24 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.87 3.80 0.00 2.00 1.69 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 2.29 2.21 0.00 48 S 8.33 4.29 0.00 4.09 4.14 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 49 I 7.60 3.60 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.25 0.83 0.00 0.00 50 D 8.03 4.33 0.00 2.90 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 51 E 8.10 4.08 0.00 2.12 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 0.00 2.76 2.59 0.00 52 M 8.40 4.00 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 53 K 8.07 4.07 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.66 7.81 54 H 8.14 4.30 0.00 3.51 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.21 3.97 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 56 D 8.14 4.32 0.00 2.93 2.86 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 57 K 7.92 4.02 0.00 1.85 1.85 0.00 1.92 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 8.27 3.97 0.00 1.84 1.74 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.02 3.75 2.10 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 1.53 0.90 0.92 0.00 0.00 60 E 8.34 4.01 0.00 2.16 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 2.34 2.32 0.00 61 R 8.10 4.03 0.00 1.98 2.10 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 I 8.30 3.75 2.07 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 1.54 0.66 0.94 0.00 0.00 63 L 7.99 4.01 0.00 2.09 1.77 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.18 4.26 0.00 2.95 3.38 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 65 L 7.69 3.94 0.00 1.80 1.60 0.95 0.89 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 66 E 8.12 3.71 0.00 2.04 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 2.08 2.29 0.00 67 G 8.14 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 68 L 7.99 4.56 0.00 1.61 1.61 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.39 0.00 2.04 1.99 0.00 3.64 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 2.03 2.08 0.00 70 N 9.37 4.72 0.00 2.59 2.84 0.00 0.00 7.09 7.79 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 71 L 8.37 4.63 0.00 1.62 1.62 0.92 0.92 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 72 Q 8.66 4.23 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 73 D 8.18 4.55 0.00 2.69 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 74 L 8.29 4.48 0.00 1.53 1.53 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.33 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 76 K 8.33 4.10 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.38 4.16 0.00 1.63 1.54 0.91 0.97 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 78 L 8.68 4.48 0.00 1.78 1.66 0.96 0.74 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 79 I 7.98 4.31 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.90 0.00 0.00 80 G 8.74 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 81 E 8.74 4.74 0.00 2.18 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 2.45 2.23 0.00 82 N 7.61 5.03 0.00 2.89 2.86 0.00 0.00 5.86 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 83 T 8.54 4.32 5.48 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 1.58 0.00 0.00 84 Q 8.19 3.99 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 85 E 8.81 4.01 0.00 2.32 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 2.35 2.47 0.00 86 M 8.40 3.95 0.00 1.27 2.12 0.00 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.13 0.00 87 L 8.06 4.18 0.00 1.92 1.72 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.35 3.97 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.74 4.17 0.00 3.30 3.23 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 90 D 8.46 4.71 0.00 2.97 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 91 L 8.28 4.04 0.00 1.87 1.94 0.95 0.62 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 92 N 8.72 4.36 0.00 2.90 2.89 0.00 0.00 6.69 6.76 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 93 L 8.16 4.05 0.00 1.96 1.97 0.93 0.72 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 94 E 8.55 4.11 0.00 2.27 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 2.77 2.65 0.00 95 L 8.12 4.03 0.00 1.88 1.74 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.10 3.99 0.00 1.92 1.98 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.18 4.02 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 98 T 8.28 3.85 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 1.27 0.00 0.00 99 K 8.01 3.99 0.00 1.87 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 8.13 4.41 0.00 2.92 2.73 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 0.00 101 L 8.01 4.01 0.00 1.87 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.04 3.93 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 103 E 8.10 4.01 0.00 1.99 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 2.35 2.48 0.00 104 A 7.95 3.58 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 0.00 105 I 8.13 3.71 2.01 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 1.41 0.77 0.93 0.00 0.00 106 V 7.72 3.55 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 0.98 0.00 0.00 0.97 0.00 0.00 107 H 8.04 3.98 0.00 3.43 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.12 4.05 0.00 3.16 3.15 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 0.00 109 E 8.11 3.91 0.00 2.16 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 2.38 2.46 0.00 110 Q 7.99 3.99 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 111 V 7.35 3.97 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 0.80 0.00 0.00 0.98 0.00 0.00 112 H 7.60 2.96 0.00 3.14 3.04 0.00 5.65 0.00 0.00 0.00 0.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.70 4.50 0.00 2.61 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 0.00 114 Y 7.61 4.33 0.00 3.08 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 0.00 115 V 7.90 3.75 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 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.62 4.17 0.00 3.96 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 0.00 117 R 8.00 3.90 0.00 2.03 2.21 0.00 3.24 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 118 D 8.13 4.32 0.00 3.10 2.67 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 0.00 119 L 7.85 3.94 0.00 1.90 1.88 0.93 0.64 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 0.00 120 L 8.03 4.01 0.00 1.91 1.69 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.74 3.99 0.00 1.94 2.00 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.32 4.37 0.00 2.88 2.69 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 0.00 123 I 7.75 3.51 1.95 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 1.12 0.91 0.76 0.00 0.00 124 L 7.89 3.95 0.00 1.85 1.88 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.28 3.90 0.00 2.09 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 0.00 2.31 2.32 0.00 126 S 7.97 4.13 0.00 3.94 4.08 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 0.00 127 E 8.25 4.00 0.00 2.06 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 2.62 2.52 0.00 128 E 8.59 4.00 0.00 2.13 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 2.35 2.49 0.00 129 E 8.30 4.03 0.00 2.19 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 2.35 2.49 0.00 130 H 8.22 4.38 0.00 3.54 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.20 3.80 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.94 0.00 0.00 132 D 8.24 4.32 0.00 2.95 2.93 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 0.00 133 Y 8.17 4.16 0.00 3.16 3.27 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 0.00 134 L 7.94 3.52 0.00 2.06 1.64 0.99 1.00 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 0.00 135 E 8.66 3.95 0.00 1.92 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 0.00 2.31 2.53 0.00 136 T 8.05 3.83 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 1.20 0.00 0.00 137 Q 7.90 3.76 0.00 1.64 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.31 2.05 0.00 138 L 7.66 3.85 0.00 1.92 1.61 0.83 0.99 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 0.00 139 G 8.41 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 0.00 0.00 0.00 140 L 8.07 4.05 0.00 1.75 1.84 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.39 3.60 1.79 0.00 0.00 0.44 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 -0.21 0.82 0.00 0.00 142 Q 7.39 3.99 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 7.79 4.16 0.00 1.76 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.72 7.81 144 V 8.24 4.15 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 0.78 0.00 0.00 1.13 0.00 0.00 145 G 7.42 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 0.00 146 L 8.48 3.97 0.00 1.77 1.68 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.12 3.98 0.00 2.06 1.98 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 2.39 2.40 0.00 148 N 8.11 4.30 0.00 3.05 2.89 0.00 0.00 6.74 7.48 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 0.00 149 Y 8.02 3.98 0.00 3.00 3.13 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 0.00 150 L 8.41 4.09 0.00 1.85 1.72 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.21 3.91 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 8.06 4.23 0.00 3.59 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 0.00 153 H 7.61 4.65 0.00 2.93 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.98 4.03 0.00 1.77 2.11 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 2.55 2.40 0.00 155 H 7.60 5.17 0.00 3.14 3.15 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.74 4.14 0.00 1.95 1.87 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 2.31 2.31 0.00