NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.3216 8.0244 121.3899 61.4813 38.6749 174.2511 4 M 4.5898 9.1888 125.5458 53.2563 36.1172 172.1814 5 L 5.0290 8.1351 124.2846 53.5211 43.5769 175.5426 6 T 4.7922 8.8840 114.2887 58.8146 72.0229 171.6478 7 P 4.6218 0.0000 0.0000 63.4521 31.8483 175.7770 8 M 4.3587 8.7575 125.2838 56.0673 32.8188 175.7801 9 Q 4.5476 9.3741 124.8278 54.7637 30.8949 176.6014 10 T 3.9322 8.6330 114.9632 65.7828 67.3400 176.0166 11 E 4.0621 8.1960 120.4474 59.1932 29.7980 178.3869 12 E 4.1751 8.1962 118.2539 59.0591 29.4661 178.8420 13 F 4.5640 8.6760 121.5997 61.0466 39.5062 177.2503 14 R 3.6370 8.0295 118.4883 59.5525 29.9837 178.7490 15 S 4.1554 7.9924 114.4519 61.5878 62.7329 176.0443 16 Y 3.9245 8.1473 122.1855 60.7881 38.2700 178.1127 17 L 3.0891 7.6564 119.9203 57.7936 39.9351 179.8101 18 T 3.7470 7.3789 115.2730 66.4737 68.2989 176.2462 19 Y 3.7701 7.6772 120.9906 61.1888 38.7920 176.9944 20 T 3.5614 7.7949 113.9525 65.4833 67.1768 176.2491 21 T 4.0616 6.7991 117.8771 67.0627 68.6378 176.4209 22 K 4.1424 7.3421 119.4024 59.5802 31.9954 179.1126 23 H 3.9938 7.9936 118.7362 59.2708 29.7218 176.6871 24 Y 4.1873 9.1157 122.3993 60.5583 38.5449 177.7631 25 A 4.1696 8.0370 121.2937 55.5248 18.5189 179.3370 26 E 3.8245 8.0170 116.6399 59.6971 29.4982 179.6844 27 E 3.5204 7.9984 118.5090 59.1268 29.5204 179.5848 28 K 3.5075 7.6922 118.8045 58.7225 31.7735 179.8051 29 V 3.7304 7.7601 119.2016 65.8743 31.3212 177.7491 30 K 3.6824 7.8776 118.1333 59.5848 31.8658 177.8896 31 A 4.2332 7.8518 119.2101 52.5545 18.2252 178.9620 32 G 3.8576 8.0427 105.4715 45.6916 0.0000 175.1840 33 T 4.0914 7.3905 116.3025 65.3735 68.6441 174.8866 34 W 5.2038 7.6935 118.6440 54.4780 32.3028 175.7322 35 L 4.4486 8.2605 120.6574 53.5338 43.1874 176.4206 36 P 4.2695 0.0000 0.0000 66.0687 31.1713 179.0002 37 E 4.1107 8.2008 115.4106 58.9484 29.6246 178.1505 38 D 4.5029 7.5381 118.3582 55.5451 41.4145 178.3137 39 A 4.1081 8.0801 121.9572 55.5363 18.3752 179.2528 40 Q 3.9419 8.1155 116.9146 59.5440 29.2323 178.4622 41 L 3.9875 7.7744 120.5542 57.8288 42.0614 178.7568 42 L 3.6521 7.5770 119.2621 57.3881 41.2247 179.0430 43 S 4.8139 8.3532 113.3794 61.8560 62.4161 176.2250 44 K 4.0944 8.0926 120.8396 59.9900 31.8544 179.3639 45 Q 4.0988 8.0794 117.8404 58.5582 28.4689 178.9346 46 V 3.6341 8.2181 119.8346 66.2482 31.6319 178.2230 47 F 4.1170 8.3892 117.6343 60.6123 38.4504 177.8290 48 T 4.0205 7.7823 108.5730 64.8232 68.7785 176.3243 49 D 4.4887 8.1141 120.9801 57.0321 40.8755 178.3202 50 L 4.2141 8.0680 118.9297 56.0131 43.5194 177.4877 51 L 4.6560 8.0507 118.2310 52.2767 41.5797 175.4241 52 P 4.3536 0.0000 0.0000 65.1249 32.0989 178.3255 53 R 4.5134 8.0483 117.1802 55.0953 31.4411 176.9769 54 G 3.6235 7.6403 108.2565 46.6226 0.0000 176.7977 55 L 3.5958 8.0418 122.4695 56.2221 41.4861 177.1735 56 E 4.2781 7.7352 117.3959 56.0865 30.1930 176.3033 57 T 3.7947 7.6900 117.9909 62.8347 68.6885 172.0449 58 P 4.2162 0.0000 0.0000 64.4788 31.8850 176.5163 59 H 4.3732 8.9189 117.8871 56.1300 26.5041 173.6129 60 H 5.3558 7.7070 116.5060 54.5903 30.4855 174.3739 61 H 4.4396 9.5949 119.8772 53.9690 31.5715 172.5571 62 L 4.9992 7.9129 123.7423 52.6414 44.1267 175.8502 63 W 5.4652 9.3924 123.6627 55.0455 33.0491 174.8361 64 S 5.1378 9.6077 119.0584 57.6390 64.6840 173.6690 65 L 4.7698 9.4103 124.9977 53.8860 42.5863 175.4889 66 K 4.7734 9.0497 126.9071 54.9263 33.5033 176.7696 67 L 4.0274 8.7343 128.3220 55.7334 43.0065 175.1073 68 N 4.8765 7.4064 114.2875 51.9457 42.4846 174.5163 69 E 4.1381 8.7202 116.7696 58.3383 29.4333 177.4344 70 K 4.5202 7.8382 115.9070 55.9879 34.1560 174.8448 71 D 4.8384 8.0193 120.6926 52.7152 43.8222 174.2131 72 I 4.7775 8.3510 126.6321 60.0025 38.3920 175.7536 73 V 3.6822 8.7308 119.6557 61.7682 34.9253 175.2712 74 G 3.9244 7.5690 105.4061 45.2835 0.0000 171.7921 75 W 5.9399 7.6826 115.5683 54.9978 32.4172 174.4184 76 L 5.2837 8.9788 122.3636 54.0315 45.5327 174.0493 77 W 5.8192 9.9639 135.0000 55.7329 33.7970 173.8617 78 I 5.2487 9.2561 120.2801 59.3852 40.9955 173.5773 79 H 5.5328 9.3910 123.5557 54.5497 32.4930 172.7961 80 A 4.7426 9.1272 127.4004 50.1646 21.6304 175.5785 81 E 3.9502 8.6500 122.8391 56.1243 29.8635 176.7630 82 P 4.3413 0.0000 0.0000 64.7228 31.5256 176.7436 83 E 4.5737 7.8204 117.1131 56.1001 30.1946 175.1157 84 H 4.1937 8.2152 120.9198 55.4970 30.1883 174.6741 85 P 4.3561 0.0000 0.0000 65.0509 31.2925 176.9630 86 Q 4.5278 8.3226 114.2187 54.7195 29.5210 175.0318 87 Q 3.4237 8.2770 117.0232 56.7857 27.0070 172.8712 88 E 4.8331 7.9394 116.4515 55.4555 31.1317 175.0944 89 A 4.9489 9.3457 127.5700 50.0560 22.5351 174.6214 90 F 4.9326 9.0018 124.2011 56.3544 41.5951 174.8678 91 I 4.0819 8.0910 128.5812 61.1161 36.1116 175.4975 92 Y 4.0292 8.2102 126.6057 60.5617 38.3309 176.1683 93 D 5.0157 7.8020 116.4474 53.4261 45.0371 174.1064 94 F 5.4069 8.4805 125.1448 57.4154 42.7114 173.2794 95 G 3.1433 6.6490 111.3484 45.9876 0.0000 171.4219 96 L 4.7423 7.3179 117.7922 52.6368 45.7284 176.8045 97 Y 4.1914 9.2252 120.2556 57.6081 38.9278 176.6240 98 E 3.9106 9.2097 124.2478 59.2257 29.6376 177.6660 99 P 4.1327 0.0000 0.0000 64.6910 31.3020 176.3979 100 Y 4.8467 7.7859 114.0638 57.6139 38.5614 176.0310 101 R 4.1491 7.8049 119.3289 56.3294 30.8127 175.8118 102 G 3.9244 8.5037 104.9313 47.0941 0.0000 174.3966 103 K 4.1935 7.8480 114.7368 55.1182 33.9432 177.5282 104 G 3.9318 7.9955 107.8555 45.7130 0.0000 175.2178 105 Y 4.4077 7.4373 117.9326 60.7567 37.7952 177.8332 106 A 4.1761 8.0429 121.4127 55.4033 18.5838 179.7422 107 K 4.0485 8.0752 116.3968 59.6886 32.1087 179.5519 108 Q 4.0461 8.0750 118.4209 58.8469 28.5931 178.5965 109 A 3.9971 8.5657 122.3777 55.0905 18.4380 179.7357 110 L 3.8059 8.2978 117.4870 57.7385 41.6678 179.5596 111 A 3.9728 8.2112 120.6763 54.9747 18.2052 179.5444 112 A 3.8423 8.1145 119.5780 55.0968 18.3154 179.6464 113 L 3.5976 7.8400 118.9839 57.9826 42.1070 178.5286 114 D 4.2764 8.0650 118.0617 57.4800 41.2905 178.1142 115 Q 3.8680 7.9554 119.6232 59.1494 28.8913 178.1530 116 A 3.8794 8.1322 121.7765 54.9565 18.2762 179.4328 117 A 3.9857 8.5769 119.9361 55.4203 18.4114 180.0590 118 R 3.8442 7.9385 116.5427 59.6059 29.9570 179.5271 119 S 4.2327 7.8569 113.0280 60.9038 62.8568 175.5354 120 M 4.4844 7.6133 119.3000 54.7875 32.4550 176.7769 121 G 3.9571 7.7321 107.5206 45.0511 0.0000 173.5027 122 I 4.1517 7.7665 121.4010 61.0715 37.4942 175.9745 123 R 4.5812 8.7351 123.6810 56.0308 31.4525 176.0995 124 K 4.5717 7.7017 119.7295 55.0314 35.8025 174.0499 125 L 5.2976 8.4705 125.8632 53.1662 44.4396 175.8479 126 S 5.0487 9.1078 118.6393 57.0367 67.3037 172.7775 127 L 3.5151 8.0141 119.8318 54.9965 42.7627 173.7057 128 H 4.8690 8.1593 119.1685 54.4860 32.0454 173.8261 129 V 4.3680 7.1452 122.9865 61.0067 34.6823 174.4448 130 F 4.2106 8.6129 124.7316 56.9305 39.5404 176.2708 131 A 3.9804 8.8888 128.3842 55.7043 18.1725 178.2739 132 H 4.4692 8.1096 108.2727 56.9980 29.2619 176.3549 133 N 4.7069 8.0239 121.5414 52.3719 36.1412 174.6470 134 Q 4.0117 8.0034 124.0398 58.7971 29.3298 177.9151 135 T 3.7639 7.8644 113.3754 65.0237 67.3918 175.9725 136 A 3.6336 8.0549 122.3020 54.9575 18.3198 179.8261 137 R 3.9304 7.9634 116.5911 59.2789 30.1641 179.0961 138 K 3.8875 8.2082 119.6112 59.3588 32.1611 178.3458 139 L 3.8466 7.8302 120.4269 58.5534 42.0388 178.4728 140 Y 4.5946 7.5536 117.9974 60.5589 37.8382 178.6186 141 E 4.2485 8.7393 119.7951 59.8499 29.4685 179.6109 142 Q 4.1988 8.5031 116.8233 58.1486 28.3811 177.8718 143 T 4.6047 8.0669 110.3177 61.4341 69.3070 176.1645 144 G 3.9471 8.0530 109.2627 45.6199 0.0000 174.5175 145 F 4.3487 8.0511 118.5784 57.1026 39.6670 174.9499 146 Q 4.7950 8.3120 122.2772 53.6787 31.7553 175.5002 147 E 4.2120 8.7473 121.0433 56.8432 30.0965 177.0617 148 T 4.5980 8.3776 110.6231 61.8756 70.9505 173.8493 149 D 4.7580 7.7524 119.4030 52.8111 44.9232 174.4718 150 V 4.4651 8.1518 121.2107 60.9052 34.7058 174.6463 151 V 4.4257 8.3065 124.3609 61.2435 33.5057 174.6982 152 M 4.9072 8.4271 125.3986 53.7965 35.3577 174.4589 153 S 4.6938 8.1781 113.7947 57.0793 65.8220 173.0731 154 K 4.6050 8.1474 123.4407 54.6943 35.0155 175.3725 155 K 4.3920 8.4711 125.0394 55.2235 33.2027 176.8602 156 L 4.1846 8.4634 122.4071 55.1132 41.5807 176.8455 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 I 8.02 4.32 1.85 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.25 0.86 0.00 0.00 4 M 9.19 4.59 0.00 1.98 1.78 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 2.52 0.00 5 L 8.14 5.03 0.00 0.90 0.77 -0.34 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.88 4.79 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 1.23 0.00 0.00 7 P 0.00 4.62 0.00 2.01 2.13 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 8 M 8.76 4.36 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.63 0.00 9 Q 9.37 4.55 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.51 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 10 T 8.63 3.93 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 1.24 0.00 0.00 11 E 8.20 4.06 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 12 E 8.20 4.18 0.00 2.41 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 2.50 2.45 0.00 13 F 8.68 4.56 0.00 3.12 3.35 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 14 R 8.03 3.64 0.00 1.93 2.05 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 15 S 7.99 4.16 0.00 4.24 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 16 Y 8.15 3.92 0.00 3.11 3.22 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 17 L 7.66 3.09 0.00 1.44 1.24 0.11 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.38 3.75 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 1.17 0.00 0.00 19 Y 7.68 3.77 0.00 3.17 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 20 T 7.79 3.56 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 0.06 0.00 0.00 21 T 6.80 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 22 K 7.34 4.14 0.00 1.79 1.74 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.37 7.81 23 H 7.99 3.99 0.00 2.41 3.16 0.00 5.59 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 24 Y 9.12 4.19 0.00 3.29 3.24 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 25 A 8.04 4.17 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.02 3.82 0.00 2.05 1.91 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 2.29 2.42 0.00 27 E 8.00 3.52 0.00 1.50 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 2.04 2.27 0.00 28 K 7.69 3.51 0.00 1.32 0.94 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.36 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.21 7.81 29 V 7.76 3.73 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 1.05 0.00 0.00 1.02 0.00 0.00 30 K 7.88 3.68 0.00 1.69 1.61 0.00 1.64 0.00 0.00 1.15 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.30 7.81 31 A 7.85 4.23 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 32 G 8.04 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 33 T 7.39 4.09 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 1.09 0.00 0.00 34 W 7.69 5.20 0.00 3.29 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 35 L 8.26 4.45 0.00 1.70 1.74 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.27 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 37 E 8.20 4.11 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 38 D 7.54 4.50 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.11 1.56 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 0.00 0.00 40 Q 8.12 3.94 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 41 L 7.77 3.99 0.00 1.70 1.55 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.58 3.65 0.00 0.27 0.13 -0.30 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.35 4.81 0.00 4.50 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 44 K 8.09 4.09 0.00 2.04 1.89 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 45 Q 8.08 4.10 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 46 V 8.22 3.63 2.46 0.00 0.00 0.00 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 1.40 0.00 0.00 47 F 8.39 4.12 0.00 3.22 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 48 T 7.78 4.02 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 1.31 0.00 0.00 49 D 8.11 4.49 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.07 4.21 0.00 1.67 1.72 0.38 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.05 4.66 0.00 1.85 1.51 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.35 0.00 2.15 2.18 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 53 R 8.05 4.51 0.00 1.89 1.87 0.00 3.24 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 54 G 7.64 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 55 L 8.04 3.60 0.00 1.33 1.40 0.71 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.74 4.28 0.00 2.01 1.90 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 2.17 2.34 0.00 57 T 7.69 3.79 4.00 0.00 0.00 0.00 0.00 0.00 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 58 P 0.00 4.22 0.00 1.88 1.79 0.00 3.69 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 1.97 2.04 0.00 59 H 8.92 4.37 0.00 3.50 3.74 0.00 5.60 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 60 H 7.71 5.36 0.00 3.09 3.18 0.00 5.59 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 61 H 9.59 4.44 0.00 2.51 2.08 0.00 5.77 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.91 5.00 0.00 1.29 1.36 0.35 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 63 W 9.39 5.47 0.00 3.38 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 64 S 9.61 5.14 0.00 3.85 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 65 L 9.41 4.77 0.00 1.64 1.60 1.11 0.34 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 66 K 9.05 4.77 0.00 1.79 1.61 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.45 7.81 67 L 8.73 4.03 0.00 0.97 1.32 0.59 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.41 4.88 0.00 2.73 2.64 0.00 0.00 6.91 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 69 E 8.72 4.14 0.00 2.06 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 2.27 2.30 0.00 70 K 7.84 4.52 0.00 1.82 1.88 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.37 7.81 71 D 8.02 4.84 0.00 2.60 2.40 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 72 I 8.35 4.78 1.88 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 1.35 0.75 1.05 0.00 0.00 73 V 8.73 3.68 1.66 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 -0.14 0.00 0.00 0.70 0.00 0.00 74 G 7.57 3.92 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 0.00 0.00 0.00 75 W 7.68 5.94 0.00 3.26 3.31 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 76 L 8.98 5.28 0.00 2.06 1.88 0.98 0.72 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 77 W 9.96 5.82 0.00 3.40 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 78 I 9.26 5.25 1.96 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.95 1.09 0.00 0.00 79 H 9.39 5.53 0.00 3.63 3.42 0.00 5.73 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 80 A 9.13 4.74 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 81 E 8.65 3.95 0.00 2.06 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 2.41 2.19 0.00 82 P 0.00 4.34 0.00 2.15 2.15 0.00 3.42 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 83 E 7.82 4.57 0.00 1.93 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 2.20 2.24 0.00 84 H 8.22 4.19 0.00 3.24 3.15 0.00 5.60 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 85 P 0.00 4.36 0.00 2.02 2.08 0.00 3.22 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 86 Q 8.32 4.53 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 87 Q 8.28 3.42 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 88 E 7.94 4.83 0.00 1.77 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 2.21 2.27 0.00 89 A 9.35 4.95 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 90 F 9.00 4.93 0.00 2.83 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 91 I 8.09 4.08 1.34 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.77 0.00 0.00 92 Y 8.21 4.03 0.00 1.45 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 93 D 7.80 5.02 0.00 3.03 3.14 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 94 F 8.48 5.41 0.00 2.99 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 95 G 6.65 3.14 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 0.00 0.00 0.00 96 L 7.32 4.74 0.00 1.30 1.52 0.99 0.83 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 97 Y 9.23 4.19 0.00 3.41 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 98 E 9.21 3.91 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 99 P 0.00 4.13 0.00 0.69 1.64 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 100 Y 7.79 4.85 0.00 3.14 3.39 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 0.00 101 R 7.80 4.15 0.00 1.77 1.82 0.00 3.33 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 1.61 1.58 0.00 102 G 8.50 3.92 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 0.00 0.00 0.00 103 K 7.85 4.19 0.00 0.79 1.13 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.16 1.43 7.81 104 G 8.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.44 4.41 0.00 3.01 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 0.00 106 A 8.04 4.18 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 0.00 107 K 8.08 4.05 0.00 1.85 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.56 7.81 108 Q 8.08 4.05 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 109 A 8.57 4.00 1.58 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 0.00 0.00 110 L 8.30 3.81 0.00 1.93 1.79 1.18 0.46 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 0.00 111 A 8.21 3.97 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 0.00 112 A 8.11 3.84 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 0.00 113 L 7.84 3.60 0.00 1.57 1.66 0.96 0.89 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 0.00 114 D 8.06 4.28 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.96 3.87 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 116 A 8.13 3.88 1.05 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 0.00 0.00 117 A 8.58 3.99 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 0.00 118 R 7.94 3.84 0.00 1.82 1.97 0.00 3.27 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 119 S 7.86 4.23 0.00 4.02 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 0.00 120 M 7.61 4.48 0.00 1.97 2.21 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 2.72 2.58 0.00 121 G 7.73 3.96 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 0.00 0.00 0.00 122 I 7.77 4.15 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.60 0.91 0.00 0.00 123 R 8.74 4.58 0.00 1.77 1.92 0.00 3.36 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 124 K 7.70 4.57 0.00 1.76 1.55 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.44 7.81 125 L 8.47 5.30 0.00 1.56 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.11 5.05 0.00 3.95 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 0.00 127 L 8.01 3.52 0.00 0.93 0.88 0.25 -1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.16 4.87 0.00 3.22 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.15 4.37 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 0.99 0.00 0.00 0.97 0.00 0.00 130 F 8.61 4.21 0.00 2.99 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 0.00 131 A 8.89 3.98 1.32 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 0.00 0.00 132 H 8.11 4.47 0.00 3.27 3.46 0.00 5.52 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 0.00 133 N 8.02 4.71 0.00 2.82 2.86 0.00 0.00 7.11 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 0.00 134 Q 8.00 4.01 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 135 T 7.86 3.76 4.21 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 1.22 0.00 0.00 136 A 8.05 3.63 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.96 3.93 0.00 2.06 2.03 0.00 3.29 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 138 K 8.21 3.89 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 139 L 7.83 3.85 0.00 1.64 1.53 0.93 0.58 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 0.00 140 Y 7.55 4.59 0.00 3.15 2.76 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 0.00 141 E 8.74 4.25 0.00 2.28 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 2.40 2.45 0.00 142 Q 8.50 4.20 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.33 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 143 T 8.07 4.60 4.39 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 1.30 0.00 0.00 144 G 8.05 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 0.00 145 F 8.05 4.35 0.00 3.23 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 0.00 146 Q 8.31 4.79 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 147 E 8.75 4.21 0.00 1.98 1.90 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 2.33 2.33 0.00 148 T 8.38 4.60 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 1.27 0.00 0.00 149 D 7.75 4.76 0.00 2.62 2.55 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 0.00 150 V 8.15 4.47 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 0.81 0.00 0.00 0.94 0.00 0.00 151 V 8.31 4.43 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 0.00 152 M 8.43 4.91 0.00 2.01 1.92 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 2.49 2.49 0.00 153 S 8.18 4.69 0.00 3.79 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 0.00 154 K 8.15 4.60 0.00 1.70 1.60 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.46 7.81 155 K 8.47 4.39 0.00 1.79 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.46 7.81 156 L 8.46 4.18 0.00 1.64 1.59 0.93 0.88 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