NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2229 8.1633 120.2782 54.7231 33.3117 174.2604 2 K 4.0507 8.4864 126.1616 56.1012 32.5069 175.6913 3 G 3.9656 8.6198 113.5482 44.7483 0.0000 172.1239 4 D 4.5822 8.4518 119.6043 54.3091 41.9672 177.0691 5 T 3.8620 8.8697 122.8235 66.8411 68.5150 176.6649 6 K 3.8297 8.1542 120.9604 59.1703 32.1816 178.7713 7 V 3.8955 8.6828 119.0146 66.2126 31.4069 177.9330 8 I 3.7259 7.7740 119.3664 64.6861 36.8905 178.1526 9 N 4.2939 8.2128 117.1381 56.3470 38.3081 177.0977 10 Y 4.0935 8.0988 118.1808 61.1288 38.0562 178.4442 11 L 3.9188 8.7090 120.2404 58.1744 41.6980 179.5355 12 N 4.3763 8.5422 116.5663 55.9741 38.3925 177.5048 13 K 3.8658 8.2203 121.4160 59.3757 32.3341 178.8508 14 L 3.7924 8.1968 119.5994 57.6747 41.4002 179.0092 15 L 3.9407 7.8872 120.5811 58.3212 41.8157 179.2731 16 G 3.6065 8.1869 105.6117 47.8515 0.0000 175.4061 17 N 4.3464 8.0149 118.7585 56.1707 38.5889 177.3158 18 E 4.0875 8.3187 119.9362 59.6125 29.0896 179.5349 19 L 4.2587 8.2918 118.8333 57.3669 41.5160 180.0399 20 V 3.6273 7.7167 112.4363 64.1744 31.4493 178.1063 21 A 3.8463 8.1072 120.5621 55.2492 18.1877 179.5420 22 I 3.7582 8.2339 118.5013 64.8453 37.1779 178.4705 23 N 4.3899 7.8277 116.0442 56.4602 38.4580 177.4121 24 Q 3.8378 8.3607 121.3057 59.2556 29.0873 177.9528 25 Y 4.3309 8.2389 118.0113 60.9297 37.9783 177.7389 26 F 3.7897 8.4921 121.6465 61.1034 39.4379 176.8364 27 L 3.9085 8.2905 119.9930 58.5092 41.8850 178.3426 28 H 3.7623 8.0974 115.7945 58.8811 28.6225 177.0779 29 A 4.1399 8.3782 122.5336 55.8459 18.1060 180.0088 30 R 3.7888 7.7095 115.3665 58.6930 30.0985 179.3325 31 M 3.3975 7.7503 119.4396 58.1743 31.9001 178.4982 32 F 4.6286 7.6257 118.2285 60.5339 39.0480 177.7149 33 K 3.9407 8.2846 119.2698 59.4911 31.8301 178.0350 34 N 4.2263 7.8861 116.0991 56.7792 38.9168 176.2671 35 W 4.7536 7.8209 116.6114 57.4609 29.2765 177.2833 36 G 4.0210 8.3072 107.9251 45.8456 0.0000 175.2220 37 L 4.4796 8.0075 121.8121 53.1801 38.0333 177.1218 38 K 3.8600 7.9626 122.6940 59.7998 32.5669 177.5887 39 R 3.9177 8.3057 119.1289 59.3147 29.9695 178.4736 40 L 4.1329 7.7722 118.3440 57.3281 41.5590 178.7954 41 N 4.4367 8.1179 116.8567 56.7413 38.9609 176.4996 42 D 4.3242 8.0039 120.2944 57.4568 40.9830 179.1525 43 V 3.3222 7.6280 118.2887 66.0856 31.4985 177.9415 44 E 3.7425 8.3432 118.4728 59.2733 29.2641 178.5944 45 Y 3.9031 8.1556 119.7632 61.2271 38.8643 178.1963 46 H 4.1983 8.2156 116.4205 58.3344 28.6428 177.6191 47 E 3.6704 7.7971 120.9304 58.6653 29.1611 178.7258 48 S 4.0987 7.9977 113.7804 61.6277 62.3403 176.2954 49 I 3.5515 7.2681 122.0900 64.4566 36.8326 177.8662 50 D 4.2725 7.8124 119.5235 57.7679 40.6390 179.1400 51 E 4.1955 8.3526 118.7004 59.4494 29.3674 179.3738 52 M 4.0647 8.0716 119.0477 58.3086 32.0003 178.8186 53 K 3.9471 8.1361 118.7733 59.6638 32.1838 179.0922 54 H 4.0805 8.2092 116.1842 58.8175 28.6229 177.5163 55 A 4.2536 8.3319 122.7581 55.4073 18.1512 178.9829 56 D 4.3110 8.2513 116.3932 57.7354 41.2464 178.7982 57 R 3.8549 7.9002 118.3337 59.4382 30.0121 178.6160 58 Y 4.2965 7.8412 116.4278 61.2272 37.8938 178.8222 59 I 3.7798 8.2693 121.0126 64.6303 37.2561 178.4707 60 E 4.0685 8.5142 119.5061 59.0270 29.2249 179.5252 61 R 4.0099 8.0121 118.9844 59.5400 30.2400 178.2650 62 I 3.7442 8.4349 119.9594 64.7056 37.1546 178.3263 63 L 4.0344 8.1349 119.4512 57.7570 41.2181 179.4443 64 F 4.3837 8.1315 119.5374 61.2865 39.7500 176.6387 65 L 4.3049 8.3645 117.3042 54.0287 40.9658 177.1596 66 E 3.7698 8.0032 117.5196 57.4547 27.2133 174.4570 67 G 3.9724 8.2188 108.5183 43.9794 0.0000 173.5609 68 L 4.5166 8.0371 119.1332 52.0477 41.9971 175.1901 69 P 4.3751 0.0000 0.0000 62.6027 31.7502 175.9393 70 N 4.7121 9.5148 122.2226 52.4044 38.7253 173.8777 71 L 4.5985 8.2941 124.1992 54.5478 42.3869 177.5805 72 Q 4.1136 8.6072 122.2524 58.2469 29.3097 175.9470 73 D 4.7075 8.0267 116.6500 52.7987 42.0551 175.2980 74 L 4.5854 8.2570 125.0714 52.7365 44.1171 176.6311 75 G 3.8038 8.4603 115.4551 44.8680 0.0000 171.6975 76 K 4.1098 8.3194 120.7205 55.7043 32.4481 176.6763 77 L 4.0890 8.3834 126.8838 54.4042 42.2588 176.1117 78 N 4.8199 8.6889 121.6773 51.9690 39.8441 174.2595 79 I 3.8756 8.4956 126.5670 63.9834 37.7609 177.9439 80 G 4.3626 8.1613 103.0604 45.4728 0.0000 172.8694 81 E 4.7338 8.7643 117.5137 56.0237 31.1725 176.1048 82 D 4.9135 7.6700 118.1493 50.3211 43.9899 175.8773 83 V 4.0335 8.5677 119.4807 66.6117 31.3442 177.6523 84 E 3.8305 8.1714 117.9407 59.4549 29.4490 178.0635 85 E 4.0212 8.4895 119.5018 59.5243 29.5865 178.6976 86 M 4.1139 8.2981 117.0099 58.1547 31.5115 178.5061 87 L 4.1605 8.5111 120.5835 57.6906 41.8184 179.5376 88 R 3.8983 8.5259 119.0030 59.3094 29.9935 178.5855 89 S 4.1246 8.1267 113.2492 61.2784 62.3517 175.7244 90 D 4.2307 8.2199 121.7076 57.2621 40.5206 178.4602 91 L 3.9978 8.2488 120.6223 58.3407 42.0444 178.9946 92 A 3.9940 8.0656 120.5811 54.8964 18.2593 179.4199 93 L 3.8859 7.8194 118.9968 58.2614 42.0870 179.0999 94 E 4.0469 8.4390 118.6498 59.4908 29.6097 179.1683 95 L 4.0143 8.1756 119.1686 58.1611 41.7244 179.4848 96 D 4.5193 8.4992 118.9568 57.2329 40.6388 179.0973 97 G 3.6331 8.3477 106.2112 47.6199 0.0000 175.7196 98 A 4.0209 8.3574 123.3982 54.6551 18.4624 179.3750 99 K 3.8037 7.9505 117.7916 60.0317 32.3004 178.5399 100 N 4.3776 8.1329 116.3760 56.3901 38.4272 177.3931 101 L 3.9907 8.1250 120.3507 57.9593 41.6335 179.6750 102 R 3.9028 8.3559 118.3593 59.2634 30.0065 178.8154 103 E 3.8668 8.0703 118.2761 59.2448 29.6934 178.7548 104 A 2.8512 7.7895 120.7857 54.7266 18.3240 179.7075 105 I 3.7573 7.9172 118.6615 64.4304 36.9438 178.8928 106 G 3.5944 7.5990 105.5299 47.8592 0.0000 174.8868 107 Y 4.1007 7.7178 121.1899 60.2149 38.8934 177.2135 108 A 3.7978 8.3357 122.2219 55.4442 18.5049 179.0784 109 D 4.0903 7.9317 116.4236 57.2948 41.0734 178.3075 110 S 4.1996 7.4684 113.0085 59.8890 63.3680 175.6944 111 V 3.9817 6.8405 114.0437 60.7386 31.5993 175.5416 112 H 2.7780 6.9972 113.9057 56.6883 26.9510 176.4556 113 D 4.5226 7.3430 121.2081 53.4884 37.7145 176.2273 114 Y 4.2645 7.3914 121.1130 60.7094 38.3888 178.1699 115 V 3.8078 7.8752 113.1581 64.1467 31.8142 178.3998 116 S 4.1625 8.3314 115.0106 61.5847 62.6051 176.6421 117 R 3.8783 8.1658 121.2812 59.5017 29.8359 177.9474 118 D 4.3073 8.4956 118.0772 57.6873 41.3603 177.7151 119 M 3.9709 8.2567 118.7901 59.1380 32.0503 178.1509 120 M 4.1281 8.2089 118.7490 58.3816 32.1591 178.7599 121 I 3.7113 8.1091 120.3295 64.3092 37.3531 178.3171 122 E 3.9602 8.1856 119.4427 59.4591 29.3080 179.4145 123 I 3.5544 7.5583 119.5247 64.2386 37.0591 178.1336 124 L 3.9459 8.1775 121.4269 58.2457 42.0167 178.8937 125 R 3.8757 8.0652 118.5142 59.7045 29.9699 178.2561 126 D 4.3577 7.9558 118.2588 57.3086 40.7484 178.6176 127 E 4.0023 8.2499 119.2884 59.2999 29.3787 178.9777 128 E 4.1182 8.6200 119.9095 59.0318 29.6872 178.9870 129 G 3.7008 8.0087 105.4881 48.2497 0.0000 175.2384 130 H 4.4250 8.1802 118.8826 58.7066 28.6746 177.8563 131 I 3.8116 8.3513 121.9424 64.5114 36.9328 177.7946 132 D 4.3820 8.4613 118.9918 57.2030 41.0280 178.2874 133 W 4.1025 8.4140 128.6576 60.4279 30.7240 177.8248 134 L 3.7611 8.4405 119.0704 57.9444 41.1565 179.3653 135 E 3.9077 8.4703 118.6126 59.7050 29.3281 179.6416 136 T 3.7847 7.9543 115.6369 66.5642 68.5451 176.3921 137 E 3.7555 7.6142 120.2960 59.4969 29.3189 179.3896 138 L 3.7789 7.8068 118.9179 58.0002 41.5602 179.5148 139 D 4.3764 8.0872 118.6390 57.2516 40.6677 178.6709 140 L 3.9603 8.1970 119.9314 57.8541 41.5838 179.5465 141 I 3.4201 7.4426 119.6394 64.4516 36.7315 178.5408 142 Q 3.9313 7.3532 116.1967 58.8107 28.6584 178.5312 143 K 4.1280 8.1419 118.9217 59.0982 32.2673 178.5372 144 M 4.3764 8.4050 114.8299 54.1605 32.4191 177.3983 145 G 4.0808 7.5644 105.0463 45.7900 0.0000 174.4042 146 L 3.9680 8.3654 120.7041 57.9972 42.1531 179.2312 147 Q 3.9921 8.0290 117.4533 59.2794 28.8629 178.4436 148 N 4.3453 8.1853 116.8218 56.4230 38.3506 176.6673 149 Y 3.9500 7.8857 120.0127 60.6608 39.1495 177.8507 150 L 4.0941 8.3578 120.2186 57.9469 41.6207 179.2804 151 Q 3.9119 8.2199 119.1573 59.0400 28.7312 177.8121 152 A 4.1079 7.6052 119.7012 53.5607 18.6255 178.2288 153 Q 4.3295 7.8882 116.0484 55.5931 29.2105 177.5784 154 I 3.8875 7.3668 121.9168 63.3797 37.4288 176.6225 155 R 4.6526 7.5498 117.9786 53.7193 32.3134 175.6313 156 E 4.1271 8.7174 118.8252 56.6670 29.5992 176.6513 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 4.22 0.00 1.49 1.75 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 2 K 8.49 4.05 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.62 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.45 4.58 0.00 2.77 2.62 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 5 T 8.87 3.86 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 1.18 0.00 0.00 6 K 8.15 3.83 0.00 1.71 1.95 0.00 1.42 0.00 0.00 0.96 0.00 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.01 7.81 7 V 8.68 3.90 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 1.13 0.00 0.00 1.21 0.00 0.00 8 I 7.77 3.73 2.05 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 1.55 0.64 0.92 0.00 0.00 9 N 8.21 4.29 0.00 2.58 2.69 0.00 0.00 7.08 7.06 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 10 Y 8.10 4.09 0.00 3.31 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 11 L 8.71 3.92 0.00 2.03 1.80 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.54 4.38 0.00 2.78 2.82 0.00 0.00 6.70 7.85 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 13 K 8.22 3.87 0.00 1.81 1.97 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.20 3.79 0.00 0.98 1.12 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.89 3.94 0.00 1.67 1.83 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.19 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.01 4.35 0.00 2.98 2.90 0.00 0.00 7.03 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 18 E 8.32 4.09 0.00 2.26 2.27 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 2.74 2.89 0.00 19 L 8.29 4.26 0.00 1.65 1.73 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.72 3.63 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 0.89 0.00 0.00 0.89 0.00 0.00 21 A 8.11 3.85 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 0.00 0.00 22 I 8.23 3.76 2.04 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 1.55 0.93 0.90 0.00 0.00 23 N 7.83 4.39 0.00 2.80 2.87 0.00 0.00 6.75 7.99 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 24 Q 8.36 3.84 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 25 Y 8.24 4.33 0.00 3.23 2.85 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 0.00 0.00 0.00 26 F 8.49 3.79 0.00 3.41 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 27 L 8.29 3.91 0.00 1.96 1.58 0.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.10 3.76 0.00 3.54 3.20 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.38 4.14 1.34 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 30 R 7.71 3.79 0.00 1.71 1.86 0.00 3.23 0.00 0.00 3.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.58 0.00 31 M 7.75 3.40 0.00 0.91 1.63 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 2.39 2.12 0.00 32 F 7.63 4.63 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.28 3.94 0.00 1.98 1.87 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.89 4.23 0.00 2.67 2.69 0.00 0.00 7.35 8.55 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 35 W 7.82 4.75 0.00 3.74 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.31 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 0.00 0.00 0.00 37 L 8.01 4.48 0.00 2.20 1.68 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 3.86 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.31 3.92 0.00 2.00 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.77 4.13 0.00 1.69 1.12 1.09 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.12 4.44 0.00 3.12 3.00 0.00 0.00 7.10 8.97 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 42 D 8.00 4.32 0.00 2.87 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 43 V 7.63 3.32 1.75 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 -0.65 0.00 0.00 0.80 0.00 0.00 44 E 8.34 3.74 0.00 2.19 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 2.65 3.13 0.00 45 Y 8.16 3.90 0.00 2.95 3.02 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 46 H 8.22 4.20 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.80 3.67 0.00 1.16 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 1.93 2.03 0.00 48 S 8.00 4.10 0.00 3.96 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 49 I 7.27 3.55 1.85 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.85 0.00 0.00 50 D 7.81 4.27 0.00 2.83 2.68 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 0.00 0.00 0.00 0.00 51 E 8.35 4.20 0.00 2.16 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 0.00 2.70 2.79 0.00 52 M 8.07 4.06 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.14 3.95 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.21 4.08 0.00 3.57 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.33 4.25 1.44 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 56 D 8.25 4.31 0.00 2.92 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 57 R 7.90 3.85 0.00 1.82 1.76 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 58 Y 7.84 4.30 0.00 3.24 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 59 I 8.27 3.78 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.91 0.95 0.00 0.00 60 E 8.51 4.07 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 61 R 8.01 4.01 0.00 2.16 2.21 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.43 3.74 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 1.59 0.77 0.98 0.00 0.00 63 L 8.13 4.03 0.00 2.10 1.80 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.13 4.38 0.00 3.02 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 65 L 8.36 4.30 0.00 1.67 1.62 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.77 0.00 2.05 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 2.17 2.28 0.00 67 G 8.22 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.04 4.52 0.00 1.62 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 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 2.06 2.12 0.00 70 N 9.51 4.71 0.00 2.59 2.81 0.00 0.00 7.11 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 71 L 8.29 4.60 0.00 1.64 1.65 0.94 0.98 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 72 Q 8.61 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.03 4.71 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.26 4.59 0.00 1.52 1.50 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.46 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.32 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.38 4.09 0.00 1.64 1.56 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.69 4.82 0.00 2.63 2.70 0.00 0.00 7.24 8.08 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 79 I 8.50 3.88 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.94 0.00 0.00 80 G 8.16 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 0.00 0.00 0.00 0.00 81 E 8.76 4.73 0.00 2.00 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 2.28 2.31 0.00 82 D 7.67 4.91 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 83 V 8.57 4.03 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 1.20 0.00 0.00 1.24 0.00 0.00 84 E 8.17 3.83 0.00 2.02 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 2.32 2.25 0.00 85 E 8.49 4.02 0.00 2.25 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 2.35 2.36 0.00 86 M 8.30 4.11 0.00 2.35 1.76 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 87 L 8.51 4.16 0.00 2.00 1.78 1.24 0.66 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 88 R 8.53 3.90 0.00 2.10 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.13 4.12 0.00 4.07 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 90 D 8.22 4.23 0.00 3.13 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.25 4.00 0.00 1.81 1.89 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.07 3.99 1.34 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 93 L 7.82 3.89 0.00 1.90 1.80 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.44 4.05 0.00 2.27 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 0.00 2.61 2.72 0.00 95 L 8.18 4.01 0.00 2.03 1.75 0.96 1.31 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 96 D 8.50 4.52 0.00 2.81 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 97 G 8.35 3.63 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 0.00 0.00 0.00 98 A 8.36 4.02 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 99 K 7.95 3.80 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.13 4.38 0.00 2.99 2.92 0.00 0.00 7.14 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 0.00 101 L 8.13 3.99 0.00 2.00 1.74 0.98 1.21 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 0.00 102 R 8.36 3.90 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.07 3.87 0.00 2.07 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 2.37 2.38 0.00 104 A 7.79 2.85 1.04 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 0.00 0.00 0.00 0.00 0.00 105 I 7.92 3.76 2.03 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 1.46 0.79 0.91 0.00 0.00 106 G 7.60 3.59 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 0.00 107 Y 7.72 4.10 0.00 3.18 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 0.00 108 A 8.34 3.80 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 0.00 109 D 7.93 4.09 0.00 2.84 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 0.00 110 S 7.47 4.20 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.84 3.98 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 0.55 0.00 0.00 0.65 0.00 0.00 112 H 7.00 2.78 0.00 3.19 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.34 4.52 0.00 2.63 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 0.00 0.00 0.00 0.00 114 Y 7.39 4.26 0.00 3.10 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 0.00 115 V 7.88 3.81 2.14 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 0.92 0.00 0.00 0.98 0.00 0.00 116 S 8.33 4.16 0.00 4.17 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 0.00 117 R 8.17 3.88 0.00 1.95 2.20 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.50 4.31 0.00 2.94 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 0.00 119 M 8.26 3.97 0.00 2.23 2.03 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 2.48 2.45 0.00 120 M 8.21 4.13 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.79 0.00 121 I 8.11 3.71 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.91 0.00 0.00 122 E 8.19 3.96 0.00 2.13 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 2.34 0.00 123 I 7.56 3.55 1.93 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.56 0.69 0.00 0.00 124 L 8.18 3.95 0.00 1.84 1.85 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.07 3.88 0.00 2.03 2.15 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.96 4.36 0.00 3.04 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.25 4.00 0.00 2.16 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 2.57 2.53 0.00 128 E 8.62 4.12 0.00 2.25 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 2.34 2.36 0.00 129 G 8.01 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 0.00 0.00 0.00 130 H 8.18 4.42 0.00 3.65 3.59 0.00 5.65 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 0.00 131 I 8.35 3.81 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.95 0.97 0.00 0.00 132 D 8.46 4.38 0.00 2.96 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 0.00 133 W 8.41 4.10 0.00 3.56 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 0.00 134 L 8.44 3.76 0.00 1.97 1.75 1.32 1.27 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 0.00 135 E 8.47 3.91 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 2.48 0.00 136 T 7.95 3.78 4.20 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 1.17 0.00 0.00 137 E 7.61 3.76 0.00 1.54 1.65 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 1.47 1.47 0.00 138 L 7.81 3.78 0.00 1.70 1.62 0.89 1.29 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 0.00 139 D 8.09 4.38 0.00 2.78 2.66 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 0.00 140 L 8.20 3.96 0.00 1.87 1.85 0.96 0.66 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 0.00 141 I 7.44 3.42 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.21 0.69 0.00 0.00 142 Q 7.35 3.93 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.14 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.40 4.38 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 145 G 7.56 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.37 3.97 0.00 1.74 1.66 0.93 0.68 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 0.00 147 Q 8.03 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.19 4.35 0.00 2.98 2.89 0.00 0.00 6.66 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.89 3.95 0.00 3.06 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 0.00 150 L 8.36 4.09 0.00 2.03 1.71 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.22 3.91 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.61 4.11 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 0.00 153 Q 7.89 4.33 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 154 I 7.37 3.89 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.11 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 2.26 2.29 0.00