NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4701 8.2893 120.3267 55.3335 34.1661 176.4229 2 T 4.0151 7.4393 110.7863 60.6829 67.3375 173.1199 3 K 4.4071 7.8217 133.3176 56.5332 31.9645 178.3263 4 V 3.8170 7.3247 115.8957 63.0578 34.8862 175.1107 5 D 4.1138 7.3240 120.0994 53.2184 39.0457 176.7626 6 F 3.9771 7.9777 122.2703 57.7604 39.0336 175.7690 7 W 4.9890 7.4418 120.2334 54.6971 31.5367 173.0956 8 P 4.6440 0.0000 0.0000 62.7683 31.0576 175.7065 9 T 4.6166 9.3562 110.2810 60.6238 70.6527 175.4559 10 L 4.1100 8.3289 121.9989 57.6910 41.9161 178.4324 11 K 4.1128 8.1015 119.5841 59.4393 32.0961 178.2508 12 D 4.5725 8.1092 118.5929 57.3437 40.4638 178.6585 13 A 3.8737 7.8550 120.5602 54.9453 18.2780 177.8020 14 Y 4.0707 8.2688 113.3326 58.3022 37.4703 175.6555 15 E 4.4785 7.6398 122.8677 53.3211 29.2459 173.8664 16 P 4.3691 0.0000 0.0000 62.2544 32.2243 175.7275 17 L 4.2965 7.8382 118.6463 53.0014 44.6766 176.8350 18 Y 4.7112 6.6302 118.2861 56.6409 40.4187 175.1150 19 P 4.3412 0.0000 0.0000 66.2361 31.1822 178.8677 20 Q 4.0314 8.1365 117.4160 58.9341 28.7027 178.1333 21 Q 4.0408 8.1597 118.6128 59.0328 28.2920 178.6932 22 L 4.0155 7.8354 120.8837 58.0317 41.9163 178.5634 23 E 4.0736 8.1659 118.5235 58.8407 29.8034 178.6369 24 I 4.0509 8.2805 120.5970 64.5210 37.2576 178.2033 25 L 4.0997 7.7859 119.5312 58.1028 41.3218 179.9901 26 R 3.9086 7.7939 117.3604 59.1168 29.8973 178.9768 27 Q 3.8903 8.0272 118.0686 59.0957 28.6921 178.7271 28 Q 3.9992 8.0087 120.0566 58.7621 29.0960 178.2303 29 V 3.5599 7.6908 119.4865 65.9234 31.7022 178.2846 30 V 3.5645 8.4346 119.0506 66.0616 31.1650 177.7660 31 S 4.2236 8.1096 112.6227 61.2696 62.2532 174.8072 32 E 4.1441 7.5836 117.2269 56.5157 29.4637 176.4151 33 G 3.8980 8.5589 106.2753 45.5440 0.0000 174.7073 34 G 3.9214 8.7867 110.1481 43.9296 0.0000 174.0935 35 P 4.1813 0.0000 0.0000 65.6993 31.6020 177.1902 36 T 4.1125 7.8676 104.7583 62.0670 68.6508 174.1155 37 A 4.1690 7.8323 125.8558 51.9157 19.0017 178.3069 38 T 4.0959 8.2275 110.6268 61.8210 70.5989 175.6306 39 I 3.7895 8.1455 121.6518 64.7300 37.0011 178.6351 40 Q 4.1445 8.1734 118.2999 59.0577 28.2982 179.3038 41 S 4.2295 7.5883 116.1200 61.5463 62.9365 176.6123 42 R 4.0295 7.8769 121.5330 59.1457 29.6271 177.9465 43 F 4.0120 8.7495 120.0746 61.6760 39.6162 176.4789 44 N 4.6847 8.3038 116.2917 56.8190 38.2460 176.0778 45 Y 4.2185 7.9955 121.0584 60.7699 38.6083 178.0354 46 A 3.9315 7.9489 120.6723 54.1173 18.7284 179.2328 47 W 4.5052 8.0880 127.6149 60.8002 30.7509 178.5428 48 G 3.3609 8.0203 105.1727 47.5919 0.0000 175.4937 49 L 3.7886 7.2771 120.2336 57.3575 41.2651 179.4885 50 I 3.9816 6.7912 120.1394 63.0591 37.1692 177.9793 51 K 3.7428 6.8820 118.0170 57.1864 32.1563 177.5753 52 S 4.1445 6.5094 112.8048 58.3521 62.8330 174.1088 53 T 4.0330 8.1592 114.9602 63.8232 69.1698 175.2211 54 D 4.5504 7.6847 122.0492 53.7717 41.6488 177.5915 55 V 3.5352 8.1308 121.4706 63.8894 31.2405 178.0931 56 N 4.2504 7.9841 118.1725 56.8931 38.8885 176.1936 57 D 4.3988 7.6144 119.9055 56.8943 40.8278 178.6630 58 E 3.9083 7.8588 119.3249 59.2006 29.1254 179.2220 59 R 4.0384 7.9351 116.0209 58.6997 29.6203 178.7849 60 L 4.0573 7.5260 120.5227 57.9433 42.1028 178.9802 61 G 3.5507 8.0155 105.7248 47.6612 0.0000 175.6221 62 V 3.5711 7.6750 120.7369 65.7903 31.6149 177.9820 63 K 3.9415 7.7221 118.4909 59.5115 31.8761 178.8650 64 I 3.7424 7.5947 119.5070 64.5514 37.0328 178.3287 65 L 4.0120 8.2915 120.0940 58.2021 41.3818 179.6503 66 T 4.1012 7.9897 115.3139 65.9075 68.4826 176.9887 67 D 4.3977 8.0004 120.9847 57.5561 40.9769 178.8397 68 I 3.8142 8.1539 120.3952 64.2226 36.7673 178.0329 69 Y 3.9860 7.5780 120.2155 60.6759 38.8055 177.6063 70 K 4.1648 8.2761 118.0271 58.5417 32.2277 178.0881 71 E 4.3243 8.1979 118.1390 58.7157 30.7746 175.5944 72 A 4.4428 8.1569 121.9289 52.3643 20.8756 175.0650 73 E 4.4188 8.5437 113.6649 56.5805 32.6768 177.5802 74 S 4.0609 8.6562 120.9512 60.1552 63.0872 173.8965 75 R 4.7431 9.3481 119.3395 55.6854 29.7528 179.1839 76 R 4.1784 8.2521 121.5914 59.3722 30.1581 178.7664 77 R 4.0434 8.0673 117.3516 59.5830 30.0626 178.7994 78 E 4.4864 8.4107 117.6845 59.6713 29.3447 179.2507 79 C 4.3954 8.1227 116.2509 62.9871 28.4533 175.8750 80 L 3.7783 8.8240 121.3384 58.0415 41.3304 179.2098 81 Y 4.0050 8.3434 119.1645 61.1288 38.8801 177.5085 82 Y 4.1198 8.9942 118.0653 61.0518 37.9336 178.6321 83 L 4.0931 9.0132 121.3050 57.9401 41.5604 179.5640 84 T 3.9527 7.8545 115.5706 66.6293 67.9394 176.8351 85 I 3.7617 7.5726 121.2950 64.4338 37.0086 178.8403 86 G 3.6131 8.3299 105.4351 47.8473 0.0000 175.1976 87 C 4.2719 8.6682 119.3561 62.6606 28.2427 175.2139 88 Y 3.9949 8.3404 121.4505 60.8289 38.0771 178.5382 89 K 4.0447 7.7921 117.6509 58.2470 32.3003 178.2205 90 L 4.4599 7.7421 118.9588 53.4549 41.6807 176.8167 91 G 2.5956 7.0507 105.4637 45.6198 0.0000 174.6649 92 E 4.1540 7.2742 118.4696 55.6734 29.6835 177.6874 93 Y 4.2996 6.9907 118.3256 60.9227 38.1604 178.4852 94 S 4.1582 7.9901 115.2426 61.5924 63.3185 176.2882 95 M 3.8282 8.4170 122.4668 57.8338 31.7675 178.4665 96 A 4.1800 8.0236 120.4460 55.0896 18.5263 179.2867 97 K 3.8755 8.3219 118.3818 59.9174 32.1611 179.2057 98 R 3.8417 7.6586 117.8407 59.2951 29.9172 178.8157 99 Y 4.2282 7.7985 116.6881 61.1916 38.0170 178.7083 100 V 3.7643 8.3392 120.5437 64.7455 31.4219 177.6925 101 D 4.4162 8.4738 118.9770 57.7076 40.8459 178.5448 102 T 3.9444 7.5654 114.7116 66.4366 68.6761 176.2307 103 L 4.1317 8.0310 122.2397 58.2582 41.9927 178.8253 104 F 4.2474 8.7011 119.5591 61.1405 39.5022 176.2383 105 E 3.8582 8.3964 119.1214 59.6646 29.2208 178.4238 106 H 3.7223 7.6082 116.8365 57.2762 29.9566 174.1165 107 E 3.4615 7.8288 119.6502 57.0112 28.1460 173.5356 108 R 4.6258 7.6700 115.6652 54.2828 33.0183 174.9356 109 N 4.7204 8.7157 123.5102 52.7369 37.8295 176.9654 110 N 4.1701 9.4746 122.6921 54.4007 36.7469 173.4204 111 K 4.0148 8.0996 119.6303 58.6188 32.6556 177.9810 112 Q 4.1371 8.0759 118.3037 58.5148 28.6670 178.5210 113 V 3.8587 8.4024 120.2401 66.0517 31.4695 178.2716 114 G 3.6692 8.2275 103.4044 47.6560 0.0000 175.0592 115 A 4.1260 8.1634 122.8628 54.7795 18.6084 179.3264 116 L 3.8020 8.2933 119.2543 58.3608 42.1553 179.1353 117 K 3.9419 8.5478 119.9645 59.4398 31.9359 178.7888 118 S 4.1437 7.9908 114.6457 61.4518 62.9652 176.4839 119 M 4.0737 7.9725 122.5392 58.0713 31.7970 178.8964 120 V 3.7078 7.6598 117.9916 66.0473 31.9008 177.6315 121 E 3.9427 8.7973 119.4438 59.3020 29.4928 178.4358 122 D 4.3526 8.3831 119.4074 57.0951 40.4819 178.7948 123 K 3.9647 7.8108 118.6378 58.9787 31.7829 179.2811 124 I 3.7534 7.2952 118.8673 63.3841 37.4359 177.9663 125 Q 4.1936 7.8563 118.9999 58.4872 28.8765 178.3004 126 K 4.1557 8.2644 117.7172 58.3711 32.1490 178.6123 127 E 4.0001 7.4368 116.8322 57.0150 29.8661 177.3571 128 T 3.5844 8.7471 115.0948 63.2496 65.5283 171.9291 129 L 4.5379 7.7128 130.0866 57.2869 44.4221 176.3666 130 K 4.1209 8.1218 118.3638 56.0285 32.4287 175.2268 131 G 3.7260 7.5461 113.5787 45.2413 0.0000 173.3964 132 V 3.9776 7.8110 125.9203 61.7108 32.4394 176.7055 133 V 3.7856 8.3140 125.8477 61.6231 31.3947 173.6652 134 V 2.9181 7.8475 124.9013 63.0622 31.1482 171.8551 135 A 3.9422 8.7146 130.1900 52.8978 17.8768 177.3116 136 G 3.9243 8.1176 112.9802 43.9060 0.0000 172.4884 137 G 3.9759 7.3020 112.3565 45.8518 0.0000 170.2518 138 V 4.2973 8.1134 117.5609 60.7737 34.7920 175.6193 139 H 4.2041 8.2964 121.1364 56.5620 28.2991 174.9387 140 H 4.4154 8.6110 125.6921 58.5860 30.3896 174.9073 141 H 4.2438 7.9866 115.2953 56.1071 28.9303 174.3477 142 H 4.5011 8.3352 118.3249 56.1806 32.4453 171.9529 143 H 4.6434 8.2999 124.8091 57.1387 35.3632 172.7033 144 H 4.3233 8.2032 123.1334 56.3961 29.7057 174.5001 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 8.29 4.47 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 T 7.44 4.02 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 3 K 7.82 4.41 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.33 7.81 4 V 7.32 3.82 1.89 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 0.71 0.00 0.00 0.82 0.00 0.00 5 D 7.32 4.11 0.00 2.83 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 6 F 7.98 3.98 0.00 1.51 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 0.00 0.00 0.00 7 W 7.44 4.99 0.00 3.33 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 8 P 0.00 4.64 0.00 2.23 2.12 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 9 T 9.36 4.62 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 1.32 0.00 0.00 10 L 8.33 4.11 0.00 1.74 1.70 0.87 -0.11 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 11 K 8.10 4.11 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.45 7.81 12 D 8.11 4.57 0.00 3.16 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 13 A 7.86 3.87 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 14 Y 8.27 4.07 0.00 3.07 3.06 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 15 E 7.64 4.48 0.00 2.00 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 2.28 2.33 0.00 16 P 0.00 4.37 0.00 2.10 1.94 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 17 L 7.84 4.30 0.00 1.42 1.28 0.76 0.60 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 18 Y 6.63 4.71 0.00 3.07 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 19 P 0.00 4.34 0.00 2.30 2.35 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 20 Q 8.14 4.03 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 21 Q 8.16 4.04 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.52 1.82 0.00 22 L 7.84 4.02 0.00 1.76 1.67 0.82 0.62 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 23 E 8.17 4.07 0.00 2.18 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 2.35 2.38 0.00 24 I 8.28 4.05 2.14 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 1.56 0.56 0.95 0.00 0.00 25 L 7.79 4.10 0.00 1.94 1.91 1.07 1.51 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 26 R 7.79 3.91 0.00 2.11 1.96 0.00 3.22 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.03 0.00 27 Q 8.03 3.89 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 28 Q 8.01 4.00 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 29 V 7.69 3.56 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 0.88 0.00 0.00 0.93 0.00 0.00 30 V 8.43 3.56 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 31 S 8.11 4.22 0.00 3.88 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 32 E 7.58 4.14 0.00 2.26 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 2.44 2.41 0.00 33 G 8.56 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 34 G 8.79 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 35 P 0.00 4.18 0.00 2.05 2.13 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 36 T 7.87 4.11 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 37 A 7.83 4.17 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 38 T 8.23 4.10 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 1.21 0.00 0.00 39 I 8.15 3.79 1.87 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 1.67 0.73 0.95 0.00 0.00 40 Q 8.17 4.14 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 41 S 7.59 4.23 0.00 3.86 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 42 R 7.88 4.03 0.00 1.96 2.03 0.00 3.16 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 1.70 1.81 0.00 43 F 8.75 4.01 0.00 3.10 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 0.00 44 N 8.30 4.68 0.00 2.99 2.98 0.00 0.00 7.04 7.52 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 45 Y 8.00 4.22 0.00 3.07 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 46 A 7.95 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.09 4.51 0.00 3.48 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 48 G 8.02 3.36 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 49 L 7.28 3.79 0.00 1.60 1.72 0.36 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 50 I 6.79 3.98 1.61 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 1.42 0.92 0.66 0.00 0.00 51 K 6.88 3.74 0.00 1.41 1.69 0.00 0.93 0.00 0.00 1.26 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.59 0.53 7.81 52 S 6.51 4.14 0.00 3.77 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.16 4.03 4.17 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 0.00 0.00 0.00 1.14 0.00 0.00 54 D 7.68 4.55 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.13 3.54 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 0.69 0.00 0.00 0.86 0.00 0.00 56 N 7.98 4.25 0.00 2.74 2.81 0.00 0.00 7.23 8.48 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 57 D 7.61 4.40 0.00 2.58 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 58 E 7.86 3.91 0.00 2.09 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 2.28 2.29 0.00 59 R 7.94 4.04 0.00 2.03 2.14 0.00 2.73 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 60 L 7.53 4.06 0.00 1.80 1.78 0.96 1.02 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 61 G 8.02 3.55 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 0.00 0.00 0.00 62 V 7.67 3.57 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 1.07 0.00 0.00 0.93 0.00 0.00 63 K 7.72 3.94 0.00 1.89 1.94 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 64 I 7.59 3.74 2.06 0.00 0.00 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 1.62 0.66 1.00 0.00 0.00 65 L 8.29 4.01 0.00 1.80 1.76 1.04 0.53 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 66 T 7.99 4.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 D 8.00 4.40 0.00 3.00 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 68 I 8.15 3.81 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 1.04 0.00 0.00 69 Y 7.58 3.99 0.00 3.05 3.18 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 70 K 8.28 4.16 0.00 1.88 1.94 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.89 7.81 71 E 8.20 4.32 0.00 2.02 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 2.24 2.31 0.00 72 A 8.16 4.44 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.54 4.42 0.00 1.87 1.69 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 2.18 2.16 0.00 74 S 8.66 4.06 0.00 4.17 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.35 4.74 0.00 1.85 1.86 0.00 3.06 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 76 R 8.25 4.18 0.00 1.93 2.21 0.00 3.12 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 77 R 8.07 4.04 0.00 2.11 2.11 0.00 3.22 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 78 E 8.41 4.49 0.00 1.97 1.80 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 2.16 2.68 0.00 79 C 8.12 4.40 0.00 3.43 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.82 3.78 0.00 1.74 1.84 1.10 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.34 4.01 0.00 2.98 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.99 4.12 0.00 3.34 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.01 4.09 0.00 1.52 1.44 0.28 0.53 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 84 T 7.85 3.95 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 1.21 0.00 0.00 85 I 7.57 3.76 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.87 0.00 0.00 86 G 8.33 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 87 C 8.67 4.27 0.00 3.19 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 88 Y 8.34 3.99 0.00 3.22 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 89 K 7.79 4.04 0.00 1.85 1.76 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.68 7.81 90 L 7.74 4.46 0.00 1.60 1.52 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.05 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 0.00 0.00 0.00 92 E 7.27 4.15 0.00 1.88 1.87 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 2.39 2.40 0.00 93 Y 6.99 4.30 0.00 3.02 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 94 S 7.99 4.16 0.00 4.03 4.13 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 95 M 8.42 3.83 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 96 A 8.02 4.18 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 97 K 8.32 3.88 0.00 1.90 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 98 R 7.66 3.84 0.00 1.58 1.67 0.00 3.08 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 99 Y 7.80 4.23 0.00 3.07 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 0.00 100 V 8.34 3.76 2.21 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 0.89 0.00 0.00 0.99 0.00 0.00 101 D 8.47 4.42 0.00 2.92 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 0.00 102 T 7.57 3.94 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 103 L 8.03 4.13 0.00 1.86 1.88 0.81 0.84 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 0.00 104 F 8.70 4.25 0.00 3.00 3.18 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 0.00 105 E 8.40 3.86 0.00 2.28 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 2.27 2.30 0.00 106 H 7.61 3.72 0.00 3.16 3.34 0.00 6.08 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.83 3.46 0.00 2.11 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 2.12 2.18 0.00 108 R 7.67 4.63 0.00 1.76 1.74 0.00 3.38 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 109 N 8.72 4.72 0.00 2.78 2.13 0.00 0.00 7.03 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 0.00 110 N 9.47 4.17 0.00 2.99 2.79 0.00 0.00 6.95 6.93 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 0.00 111 K 8.10 4.01 0.00 1.88 1.91 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.61 7.81 112 Q 8.08 4.14 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 113 V 8.40 3.86 2.28 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 1.24 0.00 0.00 0.91 0.00 0.00 114 G 8.23 3.67 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 0.00 115 A 8.16 4.13 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 0.00 116 L 8.29 3.80 0.00 1.80 1.74 0.72 -0.12 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 0.00 117 K 8.55 3.94 0.00 1.78 1.68 0.00 1.57 0.00 0.00 1.16 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.39 7.81 118 S 7.99 4.14 0.00 4.16 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 0.00 119 M 7.97 4.07 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 120 V 7.66 3.71 2.26 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 1.17 0.00 0.00 1.14 0.00 0.00 121 E 8.80 3.94 0.00 2.07 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 2.25 2.30 0.00 122 D 8.38 4.35 0.00 2.73 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 0.00 123 K 7.81 3.96 0.00 1.24 0.91 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.60 7.81 124 I 7.30 3.75 1.82 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 1.57 0.46 0.90 0.00 0.00 125 Q 7.86 4.19 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 126 K 8.26 4.16 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.53 7.81 127 E 7.44 4.00 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 128 T 8.75 3.58 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 1.20 0.00 0.00 129 L 7.71 4.54 0.00 1.64 1.41 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.12 4.12 0.00 1.79 1.82 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 131 G 7.55 3.73 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 0.00 132 V 7.81 3.98 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 1.00 0.00 0.00 0.93 0.00 0.00 133 V 8.31 3.79 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 0.70 0.00 0.00 0.93 0.00 0.00 134 V 7.85 2.92 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 0.67 0.00 0.00 0.93 0.00 0.00 135 A 8.71 3.94 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 0.00 136 G 8.12 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 0.00 137 G 7.30 3.98 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 0.00 138 V 8.11 4.30 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 0.80 0.00 0.00 0.89 0.00 0.00 139 H 8.30 4.20 0.00 3.17 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.61 4.42 0.00 3.10 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.99 4.24 0.00 3.31 3.36 0.00 5.81 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 0.00 142 H 8.34 4.50 0.00 3.06 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.30 4.64 0.00 3.02 3.24 0.00 5.98 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.20 4.32 0.00 3.09 3.14 0.00 5.83 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