NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8769 8.3393 109.7368 45.3493 0.0000 177.0685 2 I 4.2133 8.3868 122.2643 58.3102 37.9559 172.6025 3 R 4.6001 8.3106 125.2241 54.6123 32.9991 178.8636 4 M 4.3779 8.2949 120.8827 55.4157 30.0829 176.1361 5 A 4.6728 7.5717 131.7438 50.8866 19.6886 176.3078 6 T 4.4174 7.7746 117.3300 64.2125 70.7730 174.1013 7 K 4.6594 8.8080 123.1138 55.7899 36.1635 174.0728 8 I 4.7953 7.8250 112.6199 58.6043 40.6790 175.3100 9 D 4.6222 8.5184 125.5375 52.6151 39.6199 176.6221 10 K 3.7790 8.2550 123.9843 59.4598 32.7443 178.9208 11 E 3.9363 8.1344 118.9069 59.0810 29.3799 178.7850 12 A 4.0250 8.4075 120.8697 55.4276 18.4390 179.5416 13 C 4.4170 8.4170 115.5928 62.7986 28.0950 176.1557 14 R 4.1064 8.4186 120.6128 59.2383 29.3886 178.2896 15 A 3.9584 8.0337 120.2996 55.3209 18.4665 179.5525 16 A 3.8887 7.6445 119.0260 55.2510 18.4481 178.8823 17 Y 4.4211 8.3081 118.2399 61.2538 38.5531 177.9934 18 N 3.7134 8.0478 116.5552 56.7358 39.1410 176.4540 19 L 4.0469 7.4587 119.8086 57.8082 41.6067 179.5059 20 V 3.6891 7.8842 117.6985 66.1995 31.5230 177.8315 21 R 3.7989 8.2660 118.1587 57.7779 30.2045 176.0317 22 D 4.6781 8.0256 119.7964 53.1297 41.7759 176.7376 23 D 4.5199 8.9735 126.6505 56.5652 40.9875 177.2437 24 G 3.8596 8.5127 107.0393 45.5707 0.0000 174.1355 25 S 4.1216 7.8244 115.8302 57.8896 62.7407 173.9573 26 A 4.0377 8.6068 130.9319 54.9196 18.4589 177.9488 27 V 3.7293 7.3285 116.1735 62.8652 31.9411 175.3764 28 I 4.5979 8.5637 120.5413 60.4940 40.3573 175.3340 29 W 5.6506 7.7959 118.9285 54.6821 31.5027 174.6296 30 V 5.0912 9.4166 121.1452 61.6323 35.2680 173.8289 31 T 5.1669 8.7845 113.7697 59.8456 72.1069 172.7112 32 F 5.3924 9.2794 121.6744 56.0295 42.1907 175.2881 33 K 4.7853 9.2145 123.6296 55.3138 35.0404 174.6121 34 Y 5.1216 8.5999 117.2913 56.7616 41.5934 174.8231 35 D 4.5622 9.4669 120.2950 53.3950 45.0507 179.8422 36 G 3.4368 8.2247 108.2754 45.2920 0.0000 174.5074 37 S 4.8522 8.1044 113.5374 57.5248 65.5224 174.3689 38 T 5.5392 8.6675 113.7049 60.5323 71.4025 172.5914 39 I 3.6138 7.8448 125.8785 60.7879 38.7382 175.3474 40 V 4.8682 8.5246 118.2986 58.7164 36.3910 173.1900 41 P 4.8719 0.0000 0.0000 63.2250 31.9558 176.4453 42 G 4.4723 8.3635 109.2917 45.4592 0.0000 172.4036 43 E 4.5494 8.4804 121.3914 56.7826 30.9523 176.1230 44 Q 4.1637 7.8448 117.9449 54.8013 32.3681 173.7167 45 G 3.2905 6.1712 105.4125 46.2325 0.0000 173.4079 46 A 4.6922 8.7941 119.9850 51.2445 20.8540 175.7938 47 E 4.8451 8.3892 116.1101 54.5014 32.1360 175.0537 48 Y 4.2154 8.7374 125.9000 59.0067 39.2949 176.7831 49 Q 3.9960 8.3810 120.8130 59.9874 29.3111 177.9900 50 H 4.1298 8.1076 113.7736 58.1138 28.1953 177.5449 51 F 3.1030 7.5472 123.0761 60.8167 38.7281 176.9719 52 I 3.5188 6.7048 117.3248 64.5823 36.9966 178.0569 53 Q 4.0076 7.7164 116.7659 59.1041 28.6627 178.6103 54 Q 4.1069 7.3396 117.7761 57.3075 28.6916 176.2822 55 C 3.3484 6.8031 117.7536 59.6937 27.8463 173.6147 56 T 4.2985 7.5590 116.3948 60.0956 70.3155 173.2200 57 D 4.6855 7.9450 120.6805 54.4466 40.3774 177.1708 58 D 4.6489 7.8916 119.2557 54.5142 42.6269 177.6483 59 V 3.9898 7.8410 111.6840 61.3072 32.1617 175.0067 60 R 4.8309 8.4255 119.3649 54.7120 31.0831 175.0889 61 L 5.3364 9.0867 124.2809 53.4389 46.3985 174.7679 62 F 5.7545 9.2337 119.5785 55.9647 43.4530 173.9163 63 A 5.3824 9.7032 121.9595 50.5118 23.4116 174.7630 64 F 5.7037 9.6385 121.4093 56.6532 42.6986 174.0223 65 V 4.9785 8.5228 124.8892 61.0695 35.1032 174.0878 66 R 4.4064 9.0155 129.1407 55.9530 30.8779 175.3265 67 F 4.4872 8.8825 128.7132 56.6613 42.8121 173.4127 68 T 4.5996 8.1554 123.2844 63.4593 68.7777 174.0766 69 T 4.4631 8.1963 121.3513 62.8108 73.6049 174.3333 70 G 3.7511 9.0487 110.7041 46.6181 0.0000 173.0159 71 D 4.6223 8.3789 125.4642 52.6210 41.5245 175.6928 72 A 4.6125 7.9180 125.9164 51.0877 22.3291 175.9447 73 M 4.5203 8.4909 115.2095 56.4436 31.6642 176.8040 74 S 4.6848 7.5908 114.0383 56.4901 67.2246 174.2573 75 K 4.2230 8.4072 122.1111 56.9839 33.0281 176.4688 76 R 4.8388 8.0511 118.0059 55.0684 34.7922 173.9305 77 S 4.7795 8.4324 114.2496 57.2350 66.2761 172.3240 78 K 4.5964 8.4091 121.6510 55.1696 37.4247 174.9303 79 F 5.1803 8.6342 117.5578 55.8319 43.6843 174.0580 80 A 5.3120 9.0607 124.2281 50.1325 21.6502 174.9508 81 L 5.1136 9.0978 125.9046 54.9120 43.2990 175.4848 82 I 5.1649 9.3152 128.2068 60.1181 40.0698 174.9758 83 T 4.6456 8.7405 121.9327 61.4412 71.7665 172.6288 84 W 5.0255 9.2952 135.0000 56.2427 32.5406 175.2416 85 I 3.9770 7.6687 128.0241 59.1735 39.6057 175.2508 86 G 3.4797 7.5338 115.7969 44.3647 0.0000 172.0665 87 E 3.8840 8.3818 118.9009 57.7483 29.9201 177.2466 88 N 4.5360 7.9934 115.2262 55.6506 39.1462 176.0623 89 V 4.1185 6.9617 117.9518 60.7083 32.0068 176.1928 90 S 4.2409 8.6043 119.2672 57.7090 63.1075 174.9398 91 G 3.7096 8.6773 112.1007 47.7751 0.0000 175.6222 92 L 3.9509 7.9169 122.0745 58.2274 42.1014 179.0324 93 Q 3.9203 8.1269 118.0382 58.9159 28.6655 178.3993 94 R 3.8771 8.0424 118.9329 59.2008 29.7360 178.2092 95 A 3.9767 8.0668 120.3899 54.9441 18.6543 179.3655 96 K 4.0372 7.5754 116.4182 60.1499 32.2355 179.4110 97 T 4.1568 7.8973 115.8318 67.0664 68.1877 176.7965 98 G 3.7177 8.3168 106.5009 47.0737 0.0000 174.8405 99 T 4.5092 7.8218 115.0916 63.7272 69.4937 175.1758 100 D 4.8211 7.7705 120.7178 55.2163 42.0832 178.2061 101 K 4.1752 8.2987 119.4817 59.9571 32.0507 178.7807 102 T 3.8347 8.0176 112.6320 65.5111 66.7527 175.4854 103 L 3.8853 7.9454 121.1190 57.6581 41.6333 179.7347 104 V 2.9516 7.4173 118.5158 64.7123 30.9761 178.1582 105 K 3.6421 7.9623 119.7890 59.1117 32.0406 178.3949 106 E 3.9197 7.7425 118.1229 58.5649 29.6278 179.1554 107 V 3.5171 6.6914 118.2456 65.3650 31.4542 178.1382 108 V 3.4709 7.3009 116.9084 63.1092 31.4214 177.7521 109 Q 3.7972 7.2300 118.4718 58.2505 29.1237 177.4365 110 N 4.7985 6.9771 118.1516 51.9735 37.0441 172.4563 111 F 5.4600 8.1396 114.6355 55.9043 41.9785 174.4816 112 A 4.4322 8.7254 121.8183 53.3949 20.2349 176.4396 113 K 4.2526 7.1919 112.4577 55.6488 36.9471 174.1059 114 E 5.4583 8.6379 118.5446 54.9549 32.7837 174.8344 115 F 4.8488 9.4133 121.5412 56.6494 43.6760 173.2175 116 V 5.0861 8.5662 121.8131 61.3413 34.2028 174.6226 117 I 5.3184 9.3010 127.6430 58.7439 41.1982 176.1151 118 S 3.9279 9.8027 116.2968 55.5809 64.8306 173.8565 119 D 5.0675 8.0212 119.3625 51.7647 45.7669 175.3738 120 R 3.9850 8.7126 123.7261 59.5978 29.9685 179.0940 121 K 4.0955 8.7579 117.9565 59.2371 31.8040 178.5716 122 E 4.3006 8.1124 119.6050 58.5347 29.3789 178.0808 123 L 4.3370 7.8160 119.2079 55.9271 42.7716 176.7379 124 E 4.1263 8.1162 119.2035 56.5638 29.9576 177.6450 125 E 3.6599 8.7944 123.6938 58.9468 28.1523 178.8816 126 D 4.2549 8.0044 118.2157 57.4344 41.3963 178.1507 127 F 4.4907 8.2837 114.4164 59.6251 38.1563 177.1906 128 I 3.0285 6.2162 119.5239 63.8030 36.6615 178.1597 129 K 4.0634 7.8720 119.3481 59.8919 31.9816 179.3096 130 S 4.1601 7.5671 110.2842 61.1742 62.2831 175.7498 131 E 3.9985 8.5836 122.6658 59.3312 29.2258 178.8506 132 L 4.1583 8.4430 119.0191 57.0343 41.4373 179.7753 133 K 3.9933 7.8582 118.9440 59.3161 31.8989 179.0819 134 K 3.8639 8.1879 117.4062 59.7754 32.2111 179.0809 135 A 4.1947 8.3212 119.2126 54.4992 18.2782 179.0444 136 G 3.7583 7.8422 104.6199 44.5092 0.0000 173.9559 137 G 4.3401 6.6164 110.2237 43.3527 0.0000 171.1474 138 A 4.4873 7.5557 122.1955 51.3113 22.1363 174.9261 139 N 4.8858 7.6463 116.0078 53.1155 41.6743 174.4429 140 Y 4.6804 8.0583 120.4794 56.7396 39.6200 173.3403 141 D 4.7168 8.2267 121.1131 53.2114 44.8342 175.8605 142 A 4.7480 8.1023 125.9368 51.2652 20.0428 174.4185 143 Q 4.5100 7.4550 120.1519 55.2169 33.5958 175.1279 144 T 3.5100 9.6278 112.1923 64.0012 65.2979 172.2584 145 E 4.2372 7.8194 126.1273 56.8233 30.6298 175.1530 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 G 8.34 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 0.00 0.00 0.00 2 I 8.39 4.21 1.88 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 1.42 0.89 0.92 0.00 0.00 3 R 8.31 4.60 0.00 1.81 1.87 0.00 3.21 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 4 M 8.29 4.38 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 5 A 7.57 4.67 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 6 T 7.77 4.42 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 1.31 0.00 0.00 7 K 8.81 4.66 0.00 1.77 1.57 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.36 7.81 8 I 7.83 4.80 1.60 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.75 0.73 0.00 0.00 9 D 8.52 4.62 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.26 3.78 0.00 1.92 1.94 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 E 8.13 3.94 0.00 2.01 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 2.38 2.34 0.00 12 A 8.41 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 13 C 8.42 4.42 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.42 4.11 0.00 1.96 2.19 0.00 3.29 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 15 A 8.03 3.96 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 16 A 7.64 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 4.42 0.00 3.02 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 18 N 8.05 3.71 0.00 2.64 2.94 0.00 0.00 7.28 7.27 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 19 L 7.46 4.05 0.00 2.07 1.66 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.88 3.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.03 0.00 0.00 21 R 8.27 3.80 0.00 1.44 1.84 0.00 3.31 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 22 D 8.03 4.68 0.00 2.68 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 23 D 8.97 4.52 0.00 2.74 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 24 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 25 S 7.82 4.12 0.00 3.87 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.61 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 27 V 7.33 3.73 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 0.65 0.00 0.00 0.82 0.00 0.00 28 I 8.56 4.60 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.27 0.96 0.00 0.00 29 W 7.80 5.65 0.00 3.70 3.40 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 30 V 9.42 5.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.89 0.00 0.00 31 T 8.78 5.17 4.29 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 1.07 0.00 0.00 32 F 9.28 5.39 0.00 3.03 2.74 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 33 K 9.21 4.79 0.00 1.74 1.86 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.62 7.81 34 Y 8.60 5.12 0.00 2.78 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 35 D 9.47 4.56 0.00 2.71 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 36 G 8.22 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.10 4.85 0.00 3.85 4.01 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 38 T 8.67 5.54 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 39 I 7.84 3.61 1.39 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.31 0.00 0.00 40 V 8.52 4.87 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 0.78 0.00 0.00 0.97 0.00 0.00 41 P 0.00 4.87 0.00 2.13 2.20 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 42 G 8.36 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.55 0.00 2.10 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 0.00 2.38 2.60 0.00 44 Q 7.84 4.16 0.00 1.61 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.82 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 45 G 6.17 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 0.00 0.00 0.00 46 A 8.79 4.69 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 47 E 8.39 4.85 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 48 Y 8.74 4.22 0.00 3.07 2.88 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 49 Q 8.38 4.00 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.47 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 50 H 8.11 4.13 0.00 3.57 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.55 3.10 0.00 1.82 1.45 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 52 I 6.70 3.52 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 0.84 0.00 0.00 53 Q 7.72 4.01 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 54 Q 7.34 4.11 0.00 1.60 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 5.94 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 55 C 6.80 3.35 0.00 2.41 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.56 4.30 4.27 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 1.21 0.00 0.00 57 D 7.94 4.69 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.89 4.65 0.00 2.74 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 59 V 7.84 3.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.07 0.00 0.00 60 R 8.43 4.83 0.00 1.76 1.88 0.00 2.90 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 61 L 9.09 5.34 0.00 1.99 1.80 1.14 0.72 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 62 F 9.23 5.75 0.00 3.35 3.19 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 63 A 9.70 5.38 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.64 5.70 0.00 3.40 2.95 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 65 V 8.52 4.98 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 1.03 0.00 0.00 1.31 0.00 0.00 66 R 9.02 4.41 0.00 2.18 1.85 0.00 3.54 0.00 0.00 3.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.25 0.00 67 F 8.88 4.49 0.00 2.94 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 68 T 8.16 4.60 4.05 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 1.19 0.00 0.00 69 T 8.20 4.46 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 1.25 0.00 0.00 70 G 9.05 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 0.00 0.00 0.00 71 D 8.38 4.62 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.61 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 73 M 8.49 4.52 0.00 2.02 2.10 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 2.60 2.49 0.00 74 S 7.59 4.68 0.00 3.75 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.41 4.22 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 76 R 8.05 4.84 0.00 1.96 1.74 0.00 3.08 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 1.61 1.73 0.00 77 S 8.43 4.78 0.00 3.80 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 78 K 8.41 4.60 0.00 1.78 1.59 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.38 7.81 79 F 8.63 5.18 0.00 3.53 2.83 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 80 A 9.06 5.31 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 81 L 9.10 5.11 0.00 2.15 2.08 1.30 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 82 I 9.32 5.16 2.20 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 1.21 0.80 1.16 0.00 0.00 83 T 8.74 4.65 4.05 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 -0.05 0.00 0.00 84 W 9.30 5.03 0.00 3.51 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 85 I 7.67 3.98 1.59 0.00 0.00 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 0.92 0.31 0.73 0.00 0.00 86 G 7.53 3.48 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 87 E 8.38 3.88 0.00 1.90 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 2.25 2.25 0.00 88 N 7.99 4.54 0.00 2.75 2.87 0.00 0.00 6.99 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 6.96 4.12 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 0.87 0.00 0.00 0.91 0.00 0.00 90 S 8.60 4.24 0.00 3.86 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 91 G 8.68 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.92 3.95 0.00 1.71 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.13 3.92 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 94 R 8.04 3.88 0.00 1.82 2.04 0.00 3.15 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 95 A 8.07 3.98 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 96 K 7.58 4.04 0.00 2.15 2.06 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 97 T 7.90 4.16 4.41 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 1.20 0.00 0.00 98 G 8.32 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.82 4.51 4.27 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 1.23 0.00 0.00 100 D 7.77 4.82 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.30 4.18 0.00 1.96 2.05 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.88 1.96 7.81 102 T 8.02 3.83 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 1.26 0.00 0.00 103 L 7.95 3.89 0.00 1.83 1.49 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.42 2.95 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 0.65 0.00 0.00 0.73 0.00 0.00 105 K 7.96 3.64 0.00 1.78 1.97 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.92 1.65 7.81 106 E 7.74 3.92 0.00 2.02 1.86 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 2.42 2.37 0.00 107 V 6.69 3.52 1.61 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 0.54 0.00 0.00 0.55 0.00 0.00 108 V 7.30 3.47 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 1.02 0.00 0.00 0.51 0.00 0.00 109 Q 7.23 3.80 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.23 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 110 N 6.98 4.80 0.00 2.46 2.47 0.00 0.00 6.60 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.14 5.46 0.00 3.62 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.73 4.43 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 0.00 113 K 7.19 4.25 0.00 1.62 1.59 0.00 1.38 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.30 7.81 114 E 8.64 5.46 0.00 2.26 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 0.00 2.30 2.36 0.00 115 F 9.41 4.85 0.00 3.03 2.83 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 0.00 116 V 8.57 5.09 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 0.92 0.00 0.00 0.94 0.00 0.00 117 I 9.30 5.32 2.16 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 1.30 0.00 0.00 118 S 9.80 3.93 0.00 3.62 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.02 5.07 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.71 3.99 0.00 1.96 1.95 0.00 3.21 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 121 K 8.76 4.10 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 122 E 8.11 4.30 0.00 2.10 2.34 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 2.62 2.55 0.00 123 L 7.82 4.34 0.00 2.14 1.99 0.86 1.02 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 0.00 124 E 8.12 4.13 0.00 2.29 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 2.72 2.40 0.00 125 E 8.79 3.66 0.00 1.66 1.70 0.00 0.00 0.00 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 1.47 0.00 126 D 8.00 4.25 0.00 2.80 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 0.00 127 F 8.28 4.49 0.00 3.35 3.32 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 0.00 128 I 6.22 3.03 1.37 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.37 0.00 0.00 129 K 7.87 4.06 0.00 1.99 1.93 0.00 1.79 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.68 7.81 130 S 7.57 4.16 0.00 3.92 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 0.00 131 E 8.58 4.00 0.00 2.33 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 2.57 2.38 0.00 132 L 8.44 4.16 0.00 1.55 1.33 -0.54 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.86 3.99 0.00 2.04 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.65 7.81 134 K 8.19 3.86 0.00 1.87 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.60 7.81 135 A 8.32 4.19 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 0.00 136 G 7.84 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 0.00 137 G 6.62 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 0.00 0.00 0.00 0.00 138 A 7.56 4.49 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 0.00 139 N 7.65 4.89 0.00 2.57 2.50 0.00 0.00 6.75 7.54 0.00 0.00 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 Y 8.06 4.68 0.00 2.98 2.82 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 0.00 141 D 8.23 4.72 0.00 2.59 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 0.00 142 A 8.10 4.75 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 0.00 143 Q 7.46 4.51 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.24 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 144 T 9.63 3.51 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 0.00 145 E 7.82 4.24 0.00 1.89 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 2.21 2.30 0.00