NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5058 8.1693 120.6425 55.1665 43.1166 175.5740 8 H 4.8919 8.3436 115.5840 53.7016 31.6547 171.0655 9 K 4.6508 9.4405 120.9679 55.7402 33.8319 177.1345 10 E 5.0169 9.3986 123.7924 53.5515 33.0538 173.9607 11 P 4.9253 0.0000 0.0000 63.4290 32.2263 174.9461 12 A 4.8877 8.5611 122.0397 51.4565 23.0345 175.4361 13 T 4.6240 8.5858 115.2811 61.2596 71.8195 173.9989 14 L 4.1923 8.6857 128.2588 56.0003 42.3234 175.6701 15 I 4.3433 8.6026 126.6916 62.3542 38.7351 176.1052 16 K 4.5277 7.5759 121.1053 55.0975 35.6267 174.1992 17 A 4.3488 8.7564 131.1755 52.4498 19.0810 176.4607 18 I 4.1955 8.3951 124.6206 62.7306 36.9000 175.2632 19 D 4.6354 7.1435 116.1882 52.4557 41.7060 175.2289 20 G 4.3721 8.9851 106.9371 47.4359 0.0000 173.7783 21 D 5.0062 8.0716 115.5120 52.7260 41.4078 175.4860 22 T 5.2224 8.2557 115.9876 62.2800 72.4742 173.3810 23 V 4.8937 8.9115 118.3854 59.5981 36.7633 173.9842 24 K 5.0363 9.4105 125.4020 55.1764 33.9031 175.2824 25 L 5.3119 9.2376 126.5551 53.0698 46.5105 175.2439 26 M 4.7709 9.4017 122.5046 55.0593 33.5267 174.2799 27 Y 5.0172 8.8898 127.8858 56.1082 42.0177 175.5943 28 K 3.5577 9.4286 126.5441 57.3804 29.8144 176.1860 29 G 3.9886 8.5210 105.2195 45.3944 0.0000 173.9323 30 Q 4.7216 7.8775 119.2560 52.8740 31.4866 173.1195 31 P 5.0083 0.0000 0.0000 63.3801 32.3000 175.3210 32 M 4.8760 9.1887 121.7325 54.5379 36.4353 173.5066 33 T 4.7862 8.5628 122.0269 63.2376 70.2974 173.4169 34 F 5.0445 9.6322 125.3266 55.5979 41.7575 174.4274 35 R 5.0227 8.8915 123.4716 54.2032 32.5252 174.9157 36 L 4.4543 8.8552 127.4898 54.5661 42.3978 177.1927 37 L 3.8844 8.4247 124.5203 55.6372 42.8164 177.8475 38 E 4.1572 9.0232 119.5001 56.8722 27.0995 173.7938 39 V 5.0817 7.3074 110.1710 59.8898 36.4997 174.6731 40 D 4.9119 8.8569 121.3027 53.3891 43.8630 174.7041 41 T 4.6430 9.2914 117.0499 59.9209 71.0307 172.9504 42 P 4.4593 0.0000 0.0000 62.1095 32.2692 176.2212 43 E 4.1752 9.5859 122.3792 56.5817 30.0119 177.4143 44 T 4.6375 8.3736 112.2970 60.8925 70.4596 174.2500 45 K 4.3216 8.3554 120.5819 57.9546 34.4551 176.2474 46 H 4.3724 8.2468 119.5714 54.7976 30.1492 174.0135 47 P 4.3516 0.0000 0.0000 64.9950 31.4297 177.3552 48 K 4.0194 8.1697 120.0449 59.6816 32.2764 177.8927 49 K 3.9676 7.9631 117.8237 57.1443 32.4494 178.3265 50 G 3.7094 7.7437 106.7579 44.2070 0.0000 172.7059 51 V 4.0138 8.0078 119.0365 62.2955 31.4436 176.1232 52 E 4.3011 9.0002 128.5338 55.4465 31.0246 176.5280 53 K 3.9175 8.3361 123.5999 57.8660 32.8132 176.4794 54 Y 4.4134 7.9005 122.5794 59.5976 35.6035 171.3594 55 G 3.5175 8.1188 108.4184 47.6531 0.0000 174.6710 56 P 4.3140 0.0000 0.0000 64.9154 31.3242 178.7162 57 E 4.0371 8.1560 116.9219 59.2274 29.5700 178.8951 58 A 3.9987 8.4902 121.2793 55.2252 17.9195 179.6554 59 S 4.1813 8.2459 113.4357 61.9869 62.9331 177.0278 60 A 4.0591 8.1617 123.2193 54.8586 18.0218 179.3201 61 F 3.9945 8.3659 119.2242 61.9018 39.6175 177.4793 62 T 3.8756 8.2180 115.1731 66.4223 68.2136 176.3404 63 K 3.9418 8.2432 121.6662 59.5285 32.2219 178.6395 64 K 3.8523 8.1090 119.6935 59.6066 31.9031 178.2734 65 M 3.8318 7.6763 117.2982 58.8665 31.8868 178.2867 66 V 3.8067 7.9896 112.5382 64.1330 31.6024 178.5261 67 E 4.0358 8.3714 118.0100 59.1738 29.4402 177.8103 68 N 4.4878 8.0620 114.1646 54.2849 39.0654 175.5125 69 A 4.3780 7.2546 120.8749 51.7768 19.1078 177.9231 70 K 4.1660 9.1621 121.9146 58.7565 32.5337 178.2249 71 K 4.6419 8.5422 117.8932 54.6849 36.1827 175.6451 72 I 4.9406 8.4218 125.2579 59.7680 39.7817 174.4991 73 E 5.2161 9.1428 124.4943 54.7126 34.0020 174.9517 74 V 4.6311 8.8255 115.8414 59.5561 34.9428 174.7873 75 E 4.9763 8.8767 124.5858 54.2054 31.9302 174.9239 76 F 4.5386 8.7594 125.5905 57.7334 40.0211 175.3391 77 D 4.9575 8.5903 121.3595 52.9770 43.0179 175.9664 78 K 4.3285 9.2192 118.1938 58.0436 33.5323 177.8800 79 G 4.5139 7.8258 110.2199 44.0137 0.0000 173.3291 80 Q 4.0867 8.7496 121.5711 56.5868 29.4002 176.5503 81 R 4.6270 8.5680 119.7753 56.3830 31.3660 176.0052 82 T 5.0374 7.4448 107.1892 59.5718 71.9437 173.6786 83 D 4.7439 8.4930 123.2521 52.3424 41.3689 176.8795 84 K 3.9925 8.3702 117.0202 58.7694 32.0640 177.4253 85 Y 4.3579 8.0851 115.3082 57.4759 37.9728 176.3098 86 G 3.8968 7.9711 107.4925 45.5437 0.0000 173.8739 87 R 4.2708 8.4540 120.3258 55.0711 31.4396 176.4790 88 G 3.4171 8.5552 112.1886 46.4010 0.0000 172.1824 89 L 5.2719 9.1215 124.2169 52.2208 43.4349 175.6394 90 A 4.3693 8.0731 124.1618 50.7994 23.3947 173.8527 91 Y 4.5804 8.4507 117.3711 57.4076 39.4377 175.1370 92 I 4.7719 8.5468 125.0406 59.7471 39.9394 174.1732 93 Y 5.1303 9.1158 124.0250 56.0516 41.2267 174.5082 94 A 4.8936 9.0212 125.7870 50.1755 21.3711 176.3461 95 D 4.3794 9.8053 125.4205 55.9294 39.0568 175.4790 96 G 3.9539 8.3178 104.3680 45.4738 0.0000 173.3702 97 K 4.5532 7.9211 120.3804 54.7275 33.7429 175.3720 98 M 4.0010 8.4978 123.4863 54.9287 33.2119 177.0203 99 V 3.5890 8.9102 127.2985 66.0603 31.6745 177.6866 100 N 4.2939 8.0201 115.7547 56.4689 38.3932 176.8175 101 E 3.9010 8.0839 119.7605 59.0651 29.8284 178.2747 102 A 4.0823 8.2465 121.0373 55.2944 18.4102 179.5373 103 L 3.5154 8.1628 117.4039 57.8361 41.7045 179.9531 104 V 3.8784 7.4346 119.1659 65.6374 31.2928 178.0853 105 R 4.0551 8.0518 117.3161 59.2131 30.0042 177.4629 106 Q 4.1354 7.9654 117.0519 55.8492 29.3040 175.8731 107 G 3.8903 8.0939 107.4011 47.5005 0.0000 174.6716 108 L 4.5456 7.8341 117.5670 54.0953 42.6502 176.3014 109 A 4.7863 7.5571 119.8857 50.4058 23.1270 175.1487 110 K 4.7805 8.3743 118.5317 54.2503 35.3406 176.2741 111 V 4.2990 8.8919 123.6838 63.4449 32.0466 175.1050 112 A 4.2903 9.0645 127.7846 51.1301 23.2432 175.0117 113 Y 3.5682 7.8808 113.3664 58.8999 35.3802 171.9953 114 V 3.7297 7.6126 120.3660 62.5947 30.7525 173.7520 115 Y 4.6845 7.9660 124.2746 57.0314 40.2142 174.1926 116 K 3.6490 9.8130 115.8292 57.6390 29.4263 177.6290 117 G 4.0604 8.7771 107.1768 45.5434 0.0000 174.8068 118 N 4.9652 7.7682 119.5202 52.2487 37.1949 174.5417 119 N 5.2646 7.7129 112.6019 52.6804 38.8575 177.2091 120 T 3.7808 8.4583 117.9467 67.4096 68.6580 174.7771 121 H 4.7637 7.8492 116.1570 55.7218 29.1788 176.4964 122 E 4.3446 8.1809 123.9371 59.2084 29.2899 179.1237 123 Q 4.0227 8.0060 117.4041 58.5811 28.8213 177.9979 124 L 3.9159 7.9934 121.0212 58.4606 42.0215 179.1098 125 L 3.9949 8.0976 118.5824 57.8248 41.5141 179.5749 126 R 3.9272 8.5414 118.3498 59.1792 29.9944 179.2413 127 K 3.8607 8.3604 118.1304 59.4718 32.1056 178.8882 128 A 3.9727 7.8907 121.0110 55.4401 18.1286 179.3900 129 E 3.8607 8.2423 117.1253 59.3842 29.7202 178.6432 130 A 3.7456 8.0188 121.0223 55.2828 18.3625 179.4809 131 Q 3.7929 8.0796 117.5977 59.2354 29.1945 178.1390 132 A 4.0198 8.0609 121.8847 54.8730 18.2853 179.5703 133 K 3.3086 7.9622 118.4765 59.4201 32.0099 178.7922 134 K 3.7485 7.8600 118.7785 59.5936 32.1118 177.6514 135 E 4.1798 8.1359 115.6735 55.6654 30.1321 176.3565 136 K 4.0679 7.9377 117.5436 55.8919 30.5992 175.0255 137 L 4.3761 8.1037 120.0573 55.0947 44.7423 176.3084 138 N 3.5257 8.9371 123.6755 53.8872 37.6917 176.5054 139 I 3.0689 5.4401 127.0141 64.6870 36.9495 176.4467 140 W 4.8316 7.7024 118.2028 56.4486 29.1979 176.6215 141 S 4.4483 8.4273 119.9771 58.5646 62.6585 173.9477 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 7 L 8.17 4.51 0.00 1.72 1.78 1.02 0.90 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 8 H 8.34 4.89 0.00 3.23 3.24 0.00 5.52 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 9 K 9.44 4.65 0.00 1.58 1.68 0.00 1.34 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.13 1.27 7.81 10 E 9.40 5.02 0.00 2.11 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 2.42 2.32 0.00 11 P 0.00 4.93 0.00 2.09 2.07 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 12 A 8.56 4.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.59 4.62 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 1.22 0.00 0.00 14 L 8.69 4.19 0.00 1.62 1.57 1.00 1.07 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 15 I 8.60 4.34 2.07 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 1.15 0.78 0.94 0.00 0.00 16 K 7.58 4.53 0.00 1.81 1.62 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 A 8.76 4.35 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 18 I 8.40 4.20 2.05 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 1.37 0.82 0.91 0.00 0.00 19 D 7.14 4.64 0.00 2.78 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 20 G 8.99 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.07 5.01 0.00 2.82 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 22 T 8.26 5.22 4.36 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 1.25 0.00 0.00 23 V 8.91 4.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.95 0.00 0.00 24 K 9.41 5.04 0.00 1.88 1.83 0.00 1.52 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 25 L 9.24 5.31 0.00 1.71 1.51 0.20 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.40 4.77 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 27 Y 8.89 5.02 0.00 3.33 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 28 K 9.43 3.56 0.00 1.54 1.64 0.00 1.60 0.00 0.00 1.18 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.04 7.81 29 G 8.52 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.88 4.72 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 31 P 0.00 5.01 0.00 2.12 2.10 0.00 3.80 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 2.03 2.00 0.00 32 M 9.19 4.88 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.18 0.00 33 T 8.56 4.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 F 9.63 5.04 0.00 3.05 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 35 R 8.89 5.02 0.00 1.83 1.72 0.00 3.35 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 36 L 8.86 4.45 0.00 1.50 1.58 0.89 0.98 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 37 L 8.42 3.88 0.00 0.67 1.23 0.44 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.02 4.16 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 39 V 7.31 5.08 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 0.72 0.00 0.00 1.00 0.00 0.00 40 D 8.86 4.91 0.00 2.75 2.39 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 41 T 9.29 4.64 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 1.28 0.00 0.00 42 P 0.00 4.46 0.00 2.15 2.01 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 43 E 9.59 4.18 0.00 2.08 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 2.32 2.30 0.00 44 T 8.37 4.64 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 45 K 8.36 4.32 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.46 7.81 46 H 8.25 4.37 0.00 3.14 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.35 0.00 2.20 2.14 0.00 3.45 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 48 K 8.17 4.02 0.00 1.88 1.94 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.49 7.81 49 K 7.96 3.97 0.00 1.79 1.85 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 50 G 7.74 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 51 V 8.01 4.01 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 0.78 0.00 0.00 0.91 0.00 0.00 52 E 9.00 4.30 0.00 2.01 1.82 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 2.31 2.24 0.00 53 K 8.34 3.92 0.00 1.67 1.69 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.63 1.11 7.81 54 Y 7.90 4.41 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 55 G 8.12 3.52 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 0.00 0.00 0.00 56 P 0.00 4.31 0.00 2.15 2.10 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 E 8.16 4.04 0.00 2.34 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 2.53 2.49 0.00 58 A 8.49 4.00 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 59 S 8.25 4.18 0.00 4.07 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 60 A 8.16 4.06 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 61 F 8.37 3.99 0.00 3.27 3.21 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 62 T 8.22 3.88 4.31 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 1.27 0.00 0.00 63 K 8.24 3.94 0.00 1.89 2.01 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.59 7.81 64 K 8.11 3.85 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.38 7.81 65 M 7.68 3.83 0.00 1.97 1.72 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 66 V 7.99 3.81 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 0.85 0.00 0.00 1.00 0.00 0.00 67 E 8.37 4.04 0.00 2.06 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 0.00 2.33 2.27 0.00 68 N 8.06 4.49 0.00 2.79 2.83 0.00 0.00 7.00 6.75 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 69 A 7.25 4.38 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 70 K 9.16 4.17 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.40 7.81 71 K 8.54 4.64 0.00 1.66 1.65 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.42 4.94 2.04 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 1.33 1.07 0.84 0.00 0.00 73 E 9.14 5.22 0.00 1.93 1.79 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 2.21 2.26 0.00 74 V 8.83 4.63 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.58 0.00 0.00 75 E 8.88 4.98 0.00 2.23 2.32 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 2.47 2.53 0.00 76 F 8.76 4.54 0.00 3.03 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 77 D 8.59 4.96 0.00 2.88 3.05 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 78 K 9.22 4.33 0.00 1.91 1.97 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.37 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.60 7.81 79 G 7.83 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.75 4.09 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 81 R 8.57 4.63 0.00 1.75 1.68 0.00 3.18 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.70 0.00 82 T 7.44 5.04 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 1.15 0.00 0.00 83 D 8.49 4.74 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.37 3.99 0.00 1.30 1.53 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.33 7.81 85 Y 8.09 4.36 0.00 3.11 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 86 G 7.97 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 0.00 0.00 0.00 87 R 8.45 4.27 0.00 2.05 1.80 0.00 3.10 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 88 G 8.56 3.42 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 0.00 89 L 9.12 5.27 0.00 1.51 1.57 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.07 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.45 4.58 0.00 3.18 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 92 I 8.55 4.77 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.10 0.81 0.00 0.00 93 Y 9.12 5.13 0.00 2.87 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 94 A 9.02 4.89 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 95 D 9.81 4.38 0.00 2.76 2.70 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 96 G 8.32 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 97 K 7.92 4.55 0.00 1.97 1.76 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.50 4.00 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.37 0.00 99 V 8.91 3.59 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 1.10 0.00 0.00 0.90 0.00 0.00 100 N 8.02 4.29 0.00 2.90 2.92 0.00 0.00 6.75 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 0.00 101 E 8.08 3.90 0.00 1.97 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 2.37 2.36 0.00 102 A 8.25 4.08 1.67 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 0.00 103 L 8.16 3.52 0.00 1.86 1.65 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.43 3.88 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 1.35 0.00 0.00 1.02 0.00 0.00 105 R 8.05 4.06 0.00 1.85 2.13 0.00 3.35 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 106 Q 7.97 4.14 0.00 1.88 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 1.91 2.20 0.00 107 G 8.09 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 0.00 0.00 0.00 108 L 7.83 4.55 0.00 1.14 1.49 0.51 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.56 4.79 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 0.00 0.00 110 K 8.37 4.78 0.00 1.69 1.87 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.25 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.08 1.14 7.81 111 V 8.89 4.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 112 A 9.06 4.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.88 3.57 0.00 2.94 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 0.00 114 V 7.61 3.73 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 0.93 0.00 0.00 1.04 0.00 0.00 115 Y 7.97 4.68 0.00 3.09 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 0.00 116 K 9.81 3.65 0.00 2.24 2.01 0.00 1.64 0.00 0.00 2.01 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 1.39 7.81 117 G 8.78 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 0.00 0.00 0.00 0.00 118 N 7.77 4.97 0.00 2.91 2.87 0.00 0.00 6.71 8.16 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 0.00 119 N 7.71 5.26 0.00 2.85 3.01 0.00 0.00 6.09 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 0.00 120 T 8.46 3.78 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 1.05 0.00 0.00 121 H 7.85 4.76 0.00 2.84 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.18 4.34 0.00 2.23 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 2.32 2.24 0.00 123 Q 8.01 4.02 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 124 L 7.99 3.92 0.00 1.74 1.85 0.91 0.59 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 0.00 125 L 8.10 3.99 0.00 1.75 1.72 1.04 0.83 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 R 8.54 3.93 0.00 1.83 1.96 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 127 K 8.36 3.86 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.58 7.81 128 A 7.89 3.97 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 0.00 129 E 8.24 3.86 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 2.08 2.57 0.00 130 A 8.02 3.75 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 0.00 131 Q 8.08 3.79 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 132 A 8.06 4.02 1.57 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 0.00 133 K 7.96 3.31 0.00 0.79 1.50 0.00 1.21 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.72 7.81 134 K 7.86 3.75 0.00 1.79 1.91 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 135 E 8.14 4.18 0.00 2.11 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 2.32 2.51 0.00 136 K 7.94 4.07 0.00 1.87 1.90 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.32 7.81 137 L 8.10 4.38 0.00 1.75 1.69 0.90 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 0.00 138 N 8.94 3.53 0.00 2.62 1.42 0.00 0.00 7.11 7.32 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 0.00 139 I 5.44 3.07 1.00 0.00 0.00 0.50 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 0.01 -0.27 0.00 0.00 140 W 7.70 4.83 0.00 3.37 3.09 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 0.00 141 S 8.43 4.45 0.00 3.98 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