NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7121 8.1633 120.6179 55.4549 34.3506 173.7700 2 R 4.8729 8.9621 124.5580 53.6196 33.1458 169.5100 3 V 4.9220 9.2257 124.7954 61.0167 35.2930 174.0570 4 L 5.0603 9.0273 128.0170 53.4945 44.9846 174.9571 5 L 5.0786 8.9645 128.1216 53.4568 43.5439 176.0146 6 I 4.8955 8.8879 125.4902 59.4646 40.5719 174.6092 7 H 4.8849 9.2451 128.8955 56.3682 30.4080 174.3042 8 S 5.1745 9.0422 122.5791 56.6813 65.8258 175.3735 9 D 4.5578 9.3175 122.4029 57.4099 41.8350 175.7116 10 Y 5.0223 6.9577 114.2770 56.6852 40.9542 172.6742 11 I 5.0387 8.6003 119.6544 59.6578 41.9302 173.2641 12 E 5.2956 9.1863 128.7472 55.2276 33.7619 173.2493 13 Y 5.6869 8.4931 123.4897 55.9915 42.7693 173.4372 14 E 4.8133 9.2173 119.3012 55.0035 33.5385 174.0565 15 V 4.1175 9.0905 128.7166 62.6445 32.1475 174.5599 16 K 4.6520 9.3611 126.8285 56.9226 32.7320 180.1731 17 D 4.9647 9.4507 132.6731 54.8323 42.7284 175.3270 18 K 4.4791 8.7028 123.1898 55.3302 32.3369 177.3029 19 A 4.0498 8.1653 122.7314 51.3544 20.0681 175.9454 20 L 4.7344 7.1992 113.6007 52.3801 46.0128 176.7827 21 K 4.1506 8.5538 118.7258 59.1138 32.3171 177.8011 22 N 4.9247 7.5421 114.7535 50.4926 38.8708 171.9056 23 P 4.4418 0.0000 0.0000 61.6725 32.8969 176.3398 24 E 4.0550 8.6432 122.4494 56.1832 30.4665 174.5512 25 P 4.7390 0.0000 0.0000 63.1198 31.8215 175.8371 26 I 4.6406 8.3011 115.4771 58.8936 40.8005 175.1461 27 S 4.5310 8.2561 116.6741 57.1329 64.7781 174.5196 28 E 3.8759 8.9137 120.8267 59.9821 28.8247 178.4728 29 D 4.4174 8.1447 116.5911 57.8117 40.8078 178.2548 30 M 4.3394 8.0873 117.6504 56.9169 32.1044 178.3660 31 K 4.0453 7.9211 119.5664 58.2894 32.0962 176.0538 32 R 3.9927 6.7371 111.6150 55.6114 32.6675 173.9104 33 G 4.0135 6.6936 105.4772 46.0974 0.0000 171.9684 34 R 5.2283 8.3023 118.9065 55.1663 33.1900 173.6525 35 M 4.9907 9.4473 124.7006 54.0217 36.1676 173.6280 36 E 5.0994 8.7507 122.9029 54.0033 33.3949 175.8512 37 E 3.7697 7.9739 118.5922 57.7243 27.2975 175.4659 38 V 4.7903 7.6195 120.5622 59.8124 36.0277 176.2837 39 L 4.8444 8.6022 124.4069 53.6218 43.4565 175.3717 40 V 4.4043 8.7748 127.8183 62.1702 33.3400 174.7940 41 A 5.0224 8.7824 129.0852 50.0789 21.2047 174.5824 42 F 4.9280 8.8624 121.0546 57.9159 40.5326 175.2468 43 I 5.0249 9.0214 124.4796 59.6414 40.7468 174.7704 44 S 5.2372 9.2109 123.5972 55.7718 64.7794 173.4933 45 V 4.0075 8.3896 126.0991 62.8097 32.4528 175.0616 46 E 5.0620 9.6956 127.6859 54.4151 31.8880 176.7058 47 K 3.8038 8.6868 122.3630 60.2957 31.9680 179.5607 48 V 3.7328 7.8158 111.3862 64.0796 31.1701 177.5560 49 D 4.5330 8.3816 118.4268 56.0804 40.5116 177.7907 50 E 3.9249 8.0753 118.5506 58.1153 29.4734 178.8895 51 K 4.2817 7.5514 118.9566 58.1788 33.8693 177.3002 52 N 4.9532 7.5962 117.6834 49.7946 39.3647 172.2276 53 P 4.2555 0.0000 0.0000 65.1480 31.7269 177.3065 54 E 3.8851 8.0824 117.2756 59.3951 29.7308 178.2595 55 E 3.9180 8.0980 119.4616 59.3253 29.6632 178.9889 56 V 3.6491 7.7571 117.9899 65.8298 31.4890 178.3509 57 S 4.1068 8.4398 115.3162 61.7072 62.8187 176.5425 58 L 3.9766 8.2049 122.0127 57.6542 41.4507 179.6487 59 K 3.9068 8.1848 119.2723 59.5573 32.2359 178.8511 60 A 4.0590 8.1390 121.0117 55.0096 18.2265 179.6973 61 I 3.6545 8.0833 118.8786 64.6389 37.2495 178.3070 62 E 4.0194 8.1856 120.0121 59.1727 29.5362 178.5206 63 E 4.1212 8.1641 118.1238 58.7286 29.5505 179.1868 64 I 3.8572 7.8328 120.2578 64.2024 37.2757 178.4512 65 S 3.8171 8.0128 116.0067 61.2980 62.6901 176.3337 66 K 3.8403 7.9249 122.3065 59.9470 32.0031 178.9230 67 V 3.6467 7.4743 116.3375 65.6033 31.4085 177.7343 68 A 3.9910 7.8273 120.5218 54.5535 18.0114 179.3196 69 E 4.0130 8.2238 117.8069 59.4238 29.4886 178.9147 70 Q 3.9293 7.7330 117.2730 59.3274 28.9037 179.1733 71 V 4.0769 7.6042 107.0342 60.2624 31.5968 176.0363 72 K 3.8413 8.2933 118.2190 57.1687 30.1247 175.0001 73 A 4.4495 7.9347 120.5753 51.5918 19.8550 177.8565 74 E 4.5394 8.9008 123.2660 57.4764 31.5765 175.3602 75 N 5.5725 8.2074 116.2133 51.4276 41.6914 174.1685 76 V 4.8328 8.7285 121.8261 61.0136 35.2102 173.7965 77 F 5.1532 8.9268 129.3477 56.3614 42.2859 173.8257 78 V 4.1330 8.1005 127.0040 62.0690 32.7461 174.1697 79 Y 4.5031 8.9512 131.6066 54.9949 39.8644 172.5693 80 P 4.7103 0.0000 0.0000 63.1939 32.0093 175.7200 81 F 5.2457 9.4660 127.2828 56.4363 42.1104 175.1489 82 A 4.4179 8.3742 127.4319 52.5681 19.0670 176.6521 83 H 4.7760 6.8506 112.7914 55.7454 29.3280 174.8226 84 L 4.7009 7.7675 117.8596 54.6672 42.7911 176.4760 85 S 4.7132 7.5119 111.6821 56.7873 65.7101 173.3130 86 S 4.4519 8.6839 120.1322 60.5097 63.9655 175.3300 87 E 4.4712 7.6554 121.5104 54.9963 27.4784 175.9346 88 L 4.6958 7.7959 121.4246 54.5311 43.2125 176.8296 89 A 4.6226 8.3177 122.5466 50.1381 20.7729 177.4432 90 K 3.8435 9.2286 121.2347 56.2984 33.0944 176.0161 91 P 4.4356 0.0000 0.0000 66.0649 31.1292 178.8217 92 S 3.9642 7.9439 112.2196 61.5786 62.9965 176.6262 93 V 3.5355 7.7120 121.4496 65.0580 31.2146 177.6004 94 A 3.9772 8.2039 120.9666 55.5886 18.3650 179.3310 95 M 3.4001 7.2323 116.8548 58.3463 31.9066 178.6971 96 D 4.1779 7.6377 118.0107 57.4294 41.4646 178.3281 97 I 3.7072 7.7996 120.3360 64.4813 37.0428 178.4731 98 L 4.0158 8.2119 120.0534 57.6616 41.3308 179.2116 99 N 4.3772 8.1294 117.1162 56.5131 38.9381 177.0041 100 R 3.9024 8.0328 119.5528 59.3852 30.2531 179.1304 101 V 3.5387 7.9211 117.6316 66.4570 31.5771 176.7647 102 Y 4.2026 8.2180 119.1414 61.2442 38.4688 178.0535 103 Q 3.7738 8.8085 118.7428 59.1655 28.8569 179.7532 104 G 4.2147 8.3007 104.9804 47.2683 0.0000 175.2324 105 L 4.3106 7.8804 121.2903 57.4873 41.8793 179.3862 106 K 4.1275 7.7934 118.8367 59.2589 31.9600 178.7951 107 E 4.1710 8.1759 116.7077 58.1743 29.5388 178.4656 108 R 4.1622 7.6110 117.9601 57.0714 30.3572 177.0896 109 G 3.8352 7.6770 106.8808 44.8752 0.0000 173.1803 110 F 4.7753 7.5534 117.1269 55.8999 40.9342 175.1241 111 N 4.6285 8.8293 121.3763 53.4532 39.6544 173.7783 112 V 5.0753 8.5883 126.3715 61.1531 34.0903 174.5760 113 G 4.5299 8.7905 113.7322 44.5757 0.0000 171.4758 114 K 3.8679 7.7507 116.3239 55.1838 34.9019 174.9271 115 A 3.8721 7.2544 125.2773 49.5562 20.0697 175.4492 116 P 4.5133 0.0000 0.0000 62.2019 31.9407 176.0677 117 F 3.8967 9.1705 126.6425 59.0624 40.7512 175.6162 118 G 3.5727 8.0623 112.7437 45.4902 0.0000 171.7612 119 Y 4.9865 7.3680 114.9409 55.8960 42.3049 174.2856 120 Y 4.8307 9.0001 119.1126 57.2688 39.3923 175.1890 121 K 5.4152 9.0948 122.7157 54.6599 35.8227 175.5746 122 A 4.9547 9.1096 125.5219 51.4745 20.8703 176.1644 123 F 5.4839 8.1498 112.7685 56.1932 40.9868 173.3925 124 K 4.7418 9.4681 119.7362 54.7567 35.2962 175.1937 125 I 4.8131 8.4029 123.5204 59.3006 41.6984 174.5081 126 S 4.3091 7.7796 122.1376 56.1756 63.2461 172.2827 127 C 4.5422 8.3176 128.0284 58.6483 31.9957 174.7925 128 K 3.9254 8.5810 127.1105 57.6309 31.7619 178.0850 129 G 3.7896 7.3581 105.8295 46.4935 0.0000 173.3159 130 H 4.8161 7.6542 116.7086 53.2988 30.3544 174.4585 131 P 4.1970 0.0000 0.0000 65.5573 31.2283 177.5303 132 L 4.6396 7.8588 114.2411 54.4122 42.4706 177.3783 133 A 4.1915 8.2724 122.2770 53.4068 18.4628 177.4524 134 E 5.0277 7.7324 115.2328 54.9718 32.8718 174.7237 135 L 5.0919 9.0853 124.1316 53.0239 46.8306 175.7434 136 S 5.1517 8.5091 113.6644 57.0321 66.1467 173.4081 137 R 4.8415 9.0753 119.9513 54.8711 34.8461 174.0967 138 T 5.0363 8.5147 116.8674 61.9556 71.4503 173.6266 139 I 4.4870 9.1713 127.5932 59.7421 39.2806 175.4509 140 V 4.6743 8.2273 119.8393 58.3495 34.8085 174.3591 141 P 4.6422 0.0000 0.0000 62.7181 32.0587 175.5363 142 E 4.5000 9.1648 119.4371 55.3050 30.8403 176.6464 143 E 4.2009 8.5925 120.2254 56.7158 29.6934 176.4763 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.71 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 2 R 8.96 4.87 0.00 1.82 1.84 0.00 3.16 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 3 V 9.23 4.92 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 0.97 0.00 0.00 0.97 0.00 0.00 4 L 9.03 5.06 0.00 1.83 1.66 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.96 5.08 0.00 1.63 1.57 0.91 0.84 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 6 I 8.89 4.90 1.94 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 1.15 0.91 0.92 0.00 0.00 7 H 9.25 4.88 0.00 3.20 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.04 5.17 0.00 3.67 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 9 D 9.32 4.56 0.00 2.50 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 10 Y 6.96 5.02 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.60 5.04 1.66 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 0.23 0.95 0.60 0.00 0.00 12 E 9.19 5.30 0.00 2.18 1.84 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 2.19 2.30 0.00 13 Y 8.49 5.69 0.00 3.41 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 14 E 9.22 4.81 0.00 2.07 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 2.28 2.28 0.00 15 V 9.09 4.12 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 0.50 0.00 0.00 0.83 0.00 0.00 16 K 9.36 4.65 0.00 1.92 1.05 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.68 7.81 17 D 9.45 4.96 0.00 3.02 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 18 K 8.70 4.48 0.00 1.54 1.59 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.02 7.81 19 A 8.17 4.05 0.24 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 20 L 7.20 4.73 0.00 1.34 1.43 0.74 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.55 4.15 0.00 1.69 1.84 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 22 N 7.54 4.92 0.00 2.63 2.68 0.00 0.00 6.92 8.02 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 23 P 0.00 4.44 0.00 0.92 1.57 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.38 0.00 24 E 8.64 4.06 0.00 2.12 2.36 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 2.41 2.32 0.00 25 P 0.00 4.74 0.00 2.15 2.10 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 26 I 8.30 4.64 1.83 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 1.41 0.67 0.99 0.00 0.00 27 S 8.26 4.53 0.00 4.03 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 0.00 28 E 8.91 3.88 0.00 2.10 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 2.38 2.48 0.00 29 D 8.14 4.42 0.00 2.69 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 30 M 8.09 4.34 0.00 2.12 2.22 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 2.63 2.59 0.00 31 K 7.92 4.05 0.00 1.90 1.85 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 32 R 6.74 3.99 0.00 1.66 1.67 0.00 3.04 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 33 G 6.69 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 0.00 0.00 0.00 34 R 8.30 5.23 0.00 1.73 1.73 0.00 3.27 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 35 M 9.45 4.99 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 36 E 8.75 5.10 0.00 1.91 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 2.35 0.00 37 E 7.97 3.77 0.00 2.11 2.19 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 2.34 2.43 0.00 38 V 7.62 4.79 2.29 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 0.93 0.00 0.00 1.07 0.00 0.00 39 L 8.60 4.84 0.00 1.70 1.51 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.77 4.40 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.78 0.00 0.00 41 A 8.78 5.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.86 4.93 0.00 2.87 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 43 I 9.02 5.02 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 1.29 1.14 0.99 0.00 0.00 44 S 9.21 5.24 0.00 3.92 3.84 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 45 V 8.39 4.01 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 1.00 0.00 0.00 1.00 0.00 0.00 46 E 9.70 5.06 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 2.27 2.44 0.00 47 K 8.69 3.80 0.00 2.06 1.84 0.00 1.52 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 48 V 7.82 3.73 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 0.80 0.00 0.00 0.94 0.00 0.00 49 D 8.38 4.53 0.00 2.77 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 50 E 8.08 3.92 0.00 1.95 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 2.59 0.00 51 K 7.55 4.28 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 52 N 7.60 4.95 0.00 2.78 2.62 0.00 0.00 7.26 7.59 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 53 P 0.00 4.26 0.00 2.18 2.09 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 54 E 8.08 3.89 0.00 2.03 1.94 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 2.38 2.36 0.00 55 E 8.10 3.92 0.00 2.03 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 2.31 2.32 0.00 56 V 7.76 3.65 2.20 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 1.06 0.00 0.00 1.01 0.00 0.00 57 S 8.44 4.11 0.00 4.03 3.90 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 L 8.20 3.98 0.00 1.67 1.73 0.98 0.54 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 59 K 8.18 3.91 0.00 2.10 1.91 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.46 7.81 60 A 8.14 4.06 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 61 I 8.08 3.65 2.06 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 1.42 0.95 0.94 0.00 0.00 62 E 8.19 4.02 0.00 2.12 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 0.00 2.32 2.41 0.00 63 E 8.16 4.12 0.00 2.18 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 2.33 2.50 0.00 64 I 7.83 3.86 1.80 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 1.82 0.80 0.77 0.00 0.00 65 S 8.01 3.82 0.00 3.97 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.92 3.84 0.00 2.07 1.83 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 67 V 7.47 3.65 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 0.92 0.00 0.00 0.96 0.00 0.00 68 A 7.83 3.99 1.01 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 0.00 0.00 69 E 8.22 4.01 0.00 2.28 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 2.70 2.56 0.00 70 Q 7.73 3.93 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.11 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 71 V 7.60 4.08 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 0.65 0.00 0.00 0.80 0.00 0.00 72 K 8.29 3.84 0.00 1.85 1.90 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 73 A 7.93 4.45 1.23 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 74 E 8.90 4.54 0.00 2.18 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 2.38 2.47 0.00 75 N 8.21 5.57 0.00 2.76 2.79 0.00 0.00 6.55 7.68 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 76 V 8.73 4.83 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 0.89 0.00 0.00 0.49 0.00 0.00 77 F 8.93 5.15 0.00 3.22 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 78 V 8.10 4.13 1.83 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 0.79 0.00 0.00 0.94 0.00 0.00 79 Y 8.95 4.50 0.00 2.75 2.37 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 80 P 0.00 4.71 0.00 1.86 2.15 0.00 3.21 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 81 F 9.47 5.25 0.00 3.59 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.37 4.42 0.98 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 83 H 6.85 4.78 0.00 2.67 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.77 4.70 0.00 1.74 1.77 1.20 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.51 4.71 0.00 3.78 3.66 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 0.00 0.00 0.00 0.00 86 S 8.68 4.45 0.00 3.89 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 87 E 7.66 4.47 0.00 1.97 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 2.35 2.39 0.00 88 L 7.80 4.70 0.00 1.52 1.60 0.86 0.88 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 89 A 8.32 4.62 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 90 K 9.23 3.84 0.00 1.77 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 91 P 0.00 4.44 0.00 2.22 2.28 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 92 S 7.94 3.96 0.00 3.99 4.07 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 0.00 0.00 0.00 93 V 7.71 3.54 2.17 0.00 0.00 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 0.91 0.00 0.00 94 A 8.20 3.98 1.53 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 0.00 0.00 95 M 7.23 3.40 0.00 1.73 1.66 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 96 D 7.64 4.18 0.00 2.66 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 97 I 7.80 3.71 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 1.83 0.70 0.92 0.00 0.00 98 L 8.21 4.02 0.00 1.77 1.71 1.18 0.80 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 99 N 8.13 4.38 0.00 2.86 2.94 0.00 0.00 7.12 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 0.00 100 R 8.03 3.90 0.00 2.13 1.98 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 101 V 7.92 3.54 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 1.01 0.00 0.00 1.08 0.00 0.00 102 Y 8.22 4.20 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 0.00 103 Q 8.81 3.77 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 104 G 8.30 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 0.00 0.00 0.00 0.00 105 L 7.88 4.31 0.00 2.16 1.72 0.91 0.36 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 0.00 106 K 7.79 4.13 0.00 1.81 1.70 0.00 1.45 0.00 0.00 1.15 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.13 0.83 7.81 107 E 8.18 4.17 0.00 2.18 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 2.43 2.34 0.00 108 R 7.61 4.16 0.00 2.30 2.06 0.00 3.33 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 109 G 7.68 3.84 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 0.00 0.00 0.00 110 F 7.55 4.78 0.00 3.10 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 0.00 111 N 8.83 4.63 0.00 2.88 2.95 0.00 0.00 6.65 8.49 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 0.00 112 V 8.59 5.08 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 1.13 0.00 0.00 1.03 0.00 0.00 113 G 8.79 4.53 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 0.00 0.00 0.00 114 K 7.75 3.87 0.00 1.10 0.91 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.45 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.76 0.99 7.81 115 A 7.25 3.87 0.27 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 0.00 116 P 0.00 4.51 0.00 1.99 2.01 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 117 F 9.17 3.90 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 3.57 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 0.00 0.00 0.00 119 Y 7.37 4.99 0.00 2.71 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 0.00 120 Y 9.00 4.83 0.00 3.13 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 0.00 121 K 9.09 5.42 0.00 1.88 2.05 0.00 1.54 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.42 1.74 7.81 122 A 9.11 4.95 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 0.00 123 F 8.15 5.48 0.00 3.40 3.28 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 0.00 124 K 9.47 4.74 0.00 1.91 1.95 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.41 7.81 125 I 8.40 4.81 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 1.03 0.00 0.00 126 S 7.78 4.31 0.00 3.10 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 0.00 127 C 8.32 4.54 0.00 2.95 2.72 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 0.00 128 K 8.58 3.93 0.00 1.68 1.70 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.54 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.35 7.81 129 G 7.36 3.79 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 0.00 0.00 0.00 130 H 7.65 4.82 0.00 3.23 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.20 0.00 2.05 2.17 0.00 3.68 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 2.06 2.18 0.00 132 L 7.86 4.64 0.00 1.69 1.64 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.27 4.19 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 0.00 134 E 7.73 5.03 0.00 1.94 1.85 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 2.24 2.28 0.00 135 L 9.09 5.09 0.00 1.55 1.50 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.51 5.15 0.00 3.92 3.79 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 0.00 137 R 9.08 4.84 0.00 1.72 1.81 0.00 3.29 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 138 T 8.51 5.04 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 0.00 139 I 9.17 4.49 1.89 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 1.25 0.90 0.95 0.00 0.00 140 V 8.23 4.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 141 P 0.00 4.64 0.00 2.18 2.05 0.00 3.76 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 1.99 2.16 0.00 142 E 9.16 4.50 0.00 1.92 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 2.27 0.00 143 E 8.59 4.20 0.00 1.93 1.85 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 2.28 2.36 0.00