NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7232 8.3501 109.7353 45.2879 0.0000 173.8136 2 A 3.9599 7.4555 127.5084 48.1352 16.6930 175.6459 3 L 4.4504 7.6906 117.2433 55.2759 40.3889 172.7906 4 T 4.1716 8.7927 113.2733 61.0337 71.3335 175.2836 5 E 3.9724 8.6577 121.7826 59.2586 29.4134 179.0855 6 S 4.1421 7.9670 114.1509 61.4865 63.3076 176.2980 7 Q 3.9588 8.1877 121.6430 58.6247 28.4547 178.7307 8 A 3.9855 8.1593 121.5646 54.9013 18.2677 179.5586 9 A 4.0343 7.8207 119.6830 55.2465 18.3947 179.9008 10 L 4.0325 7.6806 117.7902 57.9277 41.6082 179.8624 11 V 3.8101 7.8768 119.6908 65.1547 31.3896 178.1064 12 K 4.2465 8.3172 119.6240 59.5250 32.1736 178.7424 13 S 4.1873 8.0641 113.4966 61.5914 61.8975 176.4040 14 S 4.3717 8.4390 116.8746 61.1492 62.7429 176.1625 15 W 4.5115 9.0437 132.5438 60.2219 30.1306 177.9546 16 E 3.4503 8.2172 118.1595 59.0784 28.6253 178.6506 17 E 4.0300 8.0503 118.2170 59.3773 29.4752 179.1231 18 F 3.8532 8.0451 120.5360 61.3015 39.1457 176.6663 19 N 3.9797 7.6230 114.7620 55.7671 38.6708 176.3123 20 A 4.0008 7.1252 121.3079 53.8231 19.8909 177.2011 21 N 4.6785 7.7705 115.9139 50.7238 39.5044 174.2818 22 I 3.2877 7.4815 125.3487 64.4393 37.5774 176.2271 23 P 4.1615 0.0000 0.0000 65.1588 31.1204 178.7540 24 K 3.9131 7.6188 118.0316 59.9378 32.3890 178.6349 25 H 4.2987 7.9055 116.7267 58.7465 28.5771 177.9900 26 T 4.2152 8.1196 112.2079 65.0275 68.8249 176.4538 27 H 4.3798 8.1567 121.1568 58.8930 29.8760 177.2920 28 R 3.9059 8.2870 120.7455 59.2041 29.9219 178.1281 29 F 4.2437 8.4990 120.4911 61.6706 39.5186 177.2590 30 F 3.7260 8.0674 116.7065 60.2157 38.5550 177.8699 31 I 3.7300 7.8446 119.7960 64.2539 36.9109 178.4035 32 L 3.9265 7.9288 119.9252 57.4569 41.2742 179.7507 33 V 3.3678 7.4848 118.2796 66.0505 31.3077 178.2180 34 L 4.1903 7.6411 116.6821 57.3063 41.4537 178.9595 35 E 4.1346 8.0683 118.4807 59.1312 29.5033 178.7997 36 I 4.1575 7.4477 118.4541 62.8668 38.4316 176.4389 37 A 4.5849 8.2853 123.8559 48.6398 19.9959 174.1327 38 P 4.2819 0.0000 0.0000 65.9118 31.5082 177.8404 39 A 4.1068 8.0767 118.3761 54.5389 18.3885 179.0415 40 A 4.1673 8.1642 119.4620 54.6365 18.4372 179.4574 41 K 3.9579 7.9929 118.4710 59.9592 32.0373 178.4837 42 D 4.4804 7.6093 116.0207 56.8089 40.7002 178.3650 43 L 4.0447 7.6154 118.7921 55.6500 41.8251 177.0249 44 F 4.2781 7.5052 118.5547 55.3187 38.4031 176.6384 45 S 4.0796 8.4967 121.4391 61.2401 62.6411 175.8778 46 F 4.5688 7.4644 112.5987 57.1319 38.2953 175.6777 47 L 4.4415 8.0501 121.9689 55.6685 42.9377 176.7832 48 K 3.9796 7.1719 116.8582 58.2409 31.9993 176.7328 49 G 4.0356 9.0370 113.2704 45.5057 0.0000 173.6339 50 T 4.2249 7.1332 109.0043 61.4623 69.7193 174.2136 51 S 4.4790 8.5371 115.9653 59.0118 63.5264 173.9568 52 E 4.6785 7.6666 117.2210 53.7520 31.9818 175.6548 53 V 3.6476 8.2453 121.0679 62.1021 31.5885 174.2420 54 P 4.3742 0.0000 0.0000 63.5168 31.4576 176.0976 55 Q 4.3462 8.5574 118.5308 56.7543 30.1723 175.6888 56 N 5.1280 7.8291 113.9607 52.2188 39.5258 174.6442 57 N 4.8132 7.6905 116.8036 51.3263 41.3480 172.1694 58 P 4.2774 0.0000 0.0000 65.6451 31.5209 178.4966 59 E 3.8223 8.0401 118.1743 59.1647 29.4144 178.5783 60 L 2.6636 7.3822 120.1817 58.0018 42.0285 179.1265 61 Q 4.0172 8.0100 117.5793 58.8915 28.4931 178.6328 62 A 4.0673 7.9964 121.8703 55.3896 18.0969 178.6981 63 H 4.1745 8.3357 116.5623 59.8433 29.9505 177.3028 64 A 4.2627 8.9934 122.8120 54.9530 18.3720 179.8221 65 G 3.8549 8.3922 104.5795 48.1950 0.0000 176.0931 66 K 4.1625 8.0151 121.3217 58.9593 31.8883 179.5553 67 V 3.5924 7.5425 118.2653 66.3027 31.5145 178.2656 68 F 3.9910 8.2880 116.9403 60.1578 38.6348 177.6252 69 K 3.9808 8.4241 119.3618 59.5588 32.0926 178.8836 70 L 3.9641 7.8509 119.2772 57.7364 41.6426 179.6692 71 V 3.5653 7.5470 118.4307 65.9220 31.3866 177.5399 72 Y 3.6447 8.0126 119.3975 60.6030 38.6932 177.8371 73 E 3.0602 7.7937 119.1114 58.7133 29.3553 179.1967 74 A 3.7817 7.4464 120.4029 54.9855 18.3992 179.4937 75 A 3.7350 7.3461 118.8345 55.2349 18.2876 180.0063 76 I 3.5473 7.0686 118.0025 64.3332 37.1017 178.3721 77 Q 3.8163 7.6686 120.1604 59.0388 28.8019 178.2974 78 L 3.9619 7.8539 120.1898 57.7069 41.3900 179.1610 79 E 4.0215 7.8509 118.3927 59.0390 29.6506 178.8450 80 V 3.6773 7.7570 117.6361 66.0022 31.8428 176.9111 81 T 4.1371 7.9776 106.6921 61.4533 69.6430 175.8628 82 G 3.9237 8.6486 109.6488 44.9320 0.0000 172.7068 83 V 4.3691 7.2623 111.1219 59.5603 35.6755 174.7536 84 V 4.0126 7.9700 120.2930 61.0216 31.8117 175.2529 85 V 3.6611 8.1249 128.1772 62.5852 31.6325 175.5081 86 T 4.0730 8.4557 125.2260 63.2476 68.5331 173.4304 87 D 5.0160 8.2172 126.8348 50.9342 42.4739 176.2213 88 A 4.0006 8.5963 119.2928 56.0464 18.0560 179.9423 89 T 3.8267 7.8001 113.5465 66.8722 68.6592 176.8317 90 L 4.0720 7.9416 120.4000 57.5327 41.4340 179.7652 91 K 4.1034 8.0461 118.6840 59.5175 32.0180 178.9464 92 N 4.3448 8.5129 117.5106 56.4115 38.9183 176.9364 93 L 4.1488 8.1890 120.8685 57.7652 41.6953 179.5217 94 G 3.7842 8.0497 105.6174 47.8808 0.0000 175.6761 95 S 4.1234 7.8296 115.6349 61.2577 62.6324 176.7197 96 V 3.6862 7.8747 121.8772 64.9766 31.1033 178.0688 97 H 4.1307 8.1028 116.5498 58.7030 28.4761 177.8752 98 V 3.6393 7.7164 119.6860 66.1734 31.1467 178.1948 99 S 4.1097 7.9568 113.8575 61.1070 62.7288 175.9009 100 K 4.3167 7.7420 118.0531 55.7466 32.1266 177.0511 101 G 3.7795 8.1012 107.6869 46.1395 0.0000 173.7524 102 V 3.8221 7.6736 118.9531 61.5660 32.4263 175.0162 103 A 4.9874 8.6573 128.2037 49.8886 22.3236 176.4755 104 D 4.6260 8.8233 118.4625 57.6179 40.8978 178.8066 105 A 4.4047 7.9416 119.2553 53.7469 19.1457 178.4590 106 H 4.4641 8.4783 114.0502 58.3393 28.6030 177.4875 107 F 4.2109 8.2821 119.4710 60.4207 38.7871 175.9751 108 P 4.3674 0.0000 0.0000 64.9017 31.1785 178.9229 109 V 3.5059 7.6665 117.3018 66.1486 31.5175 178.3109 110 V 3.6313 7.7197 117.4520 65.4911 31.3209 177.7477 111 K 2.7553 8.0447 119.7157 59.2434 31.9381 178.7401 112 E 3.8746 8.0688 118.6109 59.1866 29.3319 179.1861 113 A 3.9502 7.7860 120.4590 55.1881 18.4161 179.8375 114 I 3.8225 8.1288 118.7652 64.4880 37.1125 178.6994 115 L 4.0350 8.0986 120.1854 57.6683 41.4162 179.7439 116 K 3.9428 8.3456 118.7531 59.4132 31.9174 179.5818 117 T 3.8933 7.9166 116.0993 66.9160 68.3943 176.8425 118 I 3.5829 8.1550 121.9330 63.9402 36.8321 178.4668 119 K 3.9755 8.2543 120.9329 59.3391 31.7048 178.8427 120 E 3.9324 7.8521 118.3846 59.0907 29.4734 179.0452 121 V 3.6336 7.7804 117.7652 65.8750 31.8018 177.9151 122 V 4.2966 7.8661 112.2828 58.8791 32.2699 178.3989 123 G 3.8680 8.4387 107.5831 46.3583 0.0000 177.1254 124 A 4.2275 8.9070 128.0697 53.9235 18.2025 178.8581 125 K 4.3586 7.6824 114.0859 56.2176 32.3696 177.1332 126 W 4.2441 8.0252 130.5611 57.3148 31.3028 175.6546 127 S 4.5414 7.3499 118.7239 55.6250 67.1460 174.9725 128 E 3.5124 8.2386 121.2661 59.2895 29.1974 179.0279 129 E 3.9189 7.9242 120.2400 58.5854 29.5829 178.6064 130 L 3.9875 7.5722 120.3093 57.9629 42.1314 178.4265 131 N 4.4662 7.6769 117.3877 56.6219 38.9535 177.0217 132 S 4.1384 8.1930 115.5953 61.3780 63.0593 176.3528 133 A 4.0594 7.9674 124.4735 54.7996 18.1566 179.7653 134 W 4.1373 8.5818 117.3353 59.8058 29.0645 179.1779 135 T 4.0618 8.1962 116.1760 66.6599 67.9192 176.8221 136 I 3.7159 7.8311 121.4971 64.4842 37.1888 178.4187 137 A 3.9040 8.0344 121.5358 55.0702 18.1096 179.1875 138 Y 3.9395 8.3692 118.1718 60.9453 39.0415 177.4863 139 D 4.4827 8.3898 119.8452 57.7126 40.6753 178.8806 140 E 3.9222 8.3223 118.9037 59.3535 29.4670 179.2709 141 L 3.9203 7.9941 120.1512 57.8465 42.0585 178.8629 142 A 3.7232 8.1683 121.3319 54.7056 18.0844 179.5213 143 I 3.4661 7.4219 118.2249 64.5003 37.1826 178.7609 144 V 3.5143 7.1433 117.4798 66.1661 31.3445 178.2316 145 I 3.7388 7.6684 119.5035 64.2429 36.9015 178.6471 146 K 3.7378 7.8747 119.4868 58.9110 31.5844 179.3732 147 K 3.8737 7.5478 120.2814 59.5990 32.1779 178.8237 148 E 4.0345 8.0576 118.4738 59.1546 29.1554 179.2978 149 M 4.2679 8.2404 119.4695 58.4691 31.8759 178.3517 150 D 4.3746 7.7182 117.5226 57.4454 41.0427 178.2725 151 D 4.4921 7.7310 118.0495 56.3044 40.9897 177.6904 152 A 4.2838 7.7572 119.3803 52.8909 18.9557 177.5728 153 A 4.3278 7.5497 124.2980 52.1479 19.1245 176.9139 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 G 8.35 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 0.00 0.00 0.00 2 A 7.46 3.96 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 3 L 7.69 4.45 0.00 1.66 1.93 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.79 4.17 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 1.24 0.00 0.00 5 E 8.66 3.97 0.00 2.04 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 2.37 2.36 0.00 6 S 7.97 4.14 0.00 4.08 4.10 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 7 Q 8.19 3.96 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 8 A 8.16 3.99 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 9 A 7.82 4.03 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 10 L 7.68 4.03 0.00 1.90 1.78 0.90 0.90 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 11 V 7.88 3.81 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 0.75 0.00 0.00 0.63 0.00 0.00 12 K 8.32 4.25 0.00 2.11 1.93 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.73 1.79 7.81 13 S 8.06 4.19 0.00 4.02 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 14 S 8.44 4.37 0.00 4.43 4.42 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 15 W 9.04 4.51 0.00 3.61 3.07 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 16 E 8.22 3.45 0.00 2.17 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 0.00 2.36 2.67 0.00 17 E 8.05 4.03 0.00 2.27 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 2.33 2.52 0.00 18 F 8.05 3.85 0.00 2.91 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 19 N 7.62 3.98 0.00 1.57 2.25 0.00 0.00 7.24 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 20 A 7.13 4.00 1.21 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 21 N 7.77 4.68 0.00 2.43 2.03 0.00 0.00 6.98 7.87 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 22 I 7.48 3.29 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 0.87 0.00 0.00 23 P 0.00 4.16 0.00 2.07 2.20 0.00 3.43 0.00 0.00 3.58 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 24 K 7.62 3.91 0.00 1.70 1.56 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 25 H 7.91 4.30 0.00 2.12 2.93 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.12 4.22 4.46 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 1.31 0.00 0.00 27 H 8.16 4.38 0.00 3.35 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.29 3.91 0.00 2.16 2.20 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 29 F 8.50 4.24 0.00 3.50 3.45 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 30 F 8.07 3.73 0.00 3.21 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 31 I 7.84 3.73 1.99 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 1.55 0.72 0.88 0.00 0.00 32 L 7.93 3.93 0.00 1.73 1.63 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.48 3.37 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 1.09 0.00 0.00 0.04 0.00 0.00 34 L 7.64 4.19 0.00 1.77 1.71 1.01 0.94 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 35 E 8.07 4.13 0.00 2.06 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 2.32 2.57 0.00 36 I 7.45 4.16 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.89 0.00 0.00 37 A 8.29 4.58 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 38 P 0.00 4.28 0.00 2.18 2.14 0.00 3.61 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 2.12 2.17 0.00 39 A 8.08 4.11 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 40 A 8.16 4.17 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.99 3.96 0.00 1.97 1.90 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 42 D 7.61 4.48 0.00 2.70 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 43 L 7.62 4.04 0.00 1.14 1.15 0.62 0.75 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 44 F 7.51 4.28 0.00 2.58 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.50 4.08 0.00 4.01 4.10 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 46 F 7.46 4.57 0.00 3.02 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 47 L 8.05 4.44 0.00 1.89 1.70 0.53 0.64 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 48 K 7.17 3.98 0.00 1.70 1.76 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.56 7.81 49 G 9.04 4.04 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 0.00 50 T 7.13 4.22 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 1.27 0.00 0.00 51 S 8.54 4.48 0.00 3.84 3.91 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 52 E 7.67 4.68 0.00 1.98 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 2.22 2.26 0.00 53 V 8.25 3.65 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 0.81 0.00 0.00 0.92 0.00 0.00 54 P 0.00 4.37 0.00 2.20 2.06 0.00 3.83 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 2.02 2.04 0.00 55 Q 8.56 4.35 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.52 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 56 N 7.83 5.13 0.00 2.60 2.71 0.00 0.00 6.71 8.00 0.00 0.00 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 N 7.69 4.81 0.00 2.68 2.53 0.00 0.00 6.81 7.71 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 58 P 0.00 4.28 0.00 2.28 2.27 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 59 E 8.04 3.82 0.00 2.19 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 2.44 2.39 0.00 60 L 7.38 2.66 0.00 0.87 1.52 0.72 1.06 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 61 Q 8.01 4.02 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 62 A 8.00 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.34 4.17 0.00 3.50 3.53 0.00 5.79 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 64 A 8.99 4.26 1.63 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 65 G 8.39 3.85 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 0.00 0.00 0.00 66 K 8.02 4.16 0.00 2.04 1.96 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.71 7.81 67 V 7.54 3.59 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 0.79 0.00 0.00 1.00 0.00 0.00 68 F 8.29 3.99 0.00 2.86 2.94 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 0.00 0.00 0.00 69 K 8.42 3.98 0.00 2.32 2.05 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.64 7.81 70 L 7.85 3.96 0.00 1.87 1.67 0.98 1.07 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 71 V 7.55 3.57 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 1.23 0.00 0.00 0.96 0.00 0.00 72 Y 8.01 3.64 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.79 3.06 0.00 1.85 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 1.91 2.17 0.00 74 A 7.45 3.78 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 75 A 7.35 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.07 3.55 1.46 0.00 0.00 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 0.92 0.32 0.76 0.00 0.00 77 Q 7.67 3.82 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 78 L 7.85 3.96 0.00 1.81 1.62 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.85 4.02 0.00 1.90 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 2.41 2.56 0.00 80 V 7.76 3.68 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 0.87 0.00 0.00 0.92 0.00 0.00 81 T 7.98 4.14 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 82 G 8.65 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 83 V 7.26 4.37 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 0.66 0.00 0.00 0.88 0.00 0.00 84 V 7.97 4.01 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 0.69 0.00 0.00 0.83 0.00 0.00 85 V 8.12 3.66 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 0.81 0.00 0.00 0.87 0.00 0.00 86 T 8.46 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 87 D 8.22 5.02 0.00 2.77 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 88 A 8.60 4.00 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 89 T 7.80 3.83 4.45 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 1.23 0.00 0.00 90 L 7.94 4.07 0.00 1.68 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.05 4.10 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.64 7.81 92 N 8.51 4.34 0.00 2.84 2.84 0.00 0.00 7.25 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 93 L 8.19 4.15 0.00 1.97 1.84 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.83 4.12 0.00 3.88 4.09 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 96 V 7.87 3.69 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 0.80 0.00 0.00 0.90 0.00 0.00 97 H 8.10 4.13 0.00 3.53 3.46 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.72 3.64 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 1.13 0.00 0.00 1.07 0.00 0.00 99 S 7.96 4.11 0.00 4.02 3.91 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 0.00 100 K 7.74 4.32 0.00 1.78 1.64 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.47 7.81 101 G 8.10 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.67 3.82 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 0.75 0.00 0.00 0.80 0.00 0.00 103 A 8.66 4.99 1.28 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 0.00 0.00 104 D 8.82 4.63 0.00 2.81 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 0.00 105 A 7.94 4.40 1.28 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 0.00 0.00 106 H 8.48 4.46 0.00 3.35 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.28 4.21 0.00 3.34 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.37 0.00 2.20 2.16 0.00 3.93 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 109 V 7.67 3.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 110 V 7.72 3.63 2.13 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 1.28 0.00 0.00 0.95 0.00 0.00 111 K 8.04 2.76 0.00 1.46 1.76 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.02 7.81 112 E 8.07 3.87 0.00 1.99 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 2.50 2.45 0.00 113 A 7.79 3.95 1.25 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 0.00 0.00 114 I 8.13 3.82 1.72 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.59 0.66 0.00 0.00 115 L 8.10 4.03 0.00 1.65 1.76 0.97 1.41 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 0.00 116 K 8.35 3.94 0.00 1.82 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.60 7.81 117 T 7.92 3.89 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 118 I 8.16 3.58 1.50 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.36 0.61 0.00 0.00 119 K 8.25 3.98 0.00 1.70 1.75 0.00 1.24 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.03 0.39 7.81 120 E 7.85 3.93 0.00 2.11 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 2.29 2.50 0.00 121 V 7.78 3.63 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 0.81 0.00 0.00 0.69 0.00 0.00 122 V 7.87 4.30 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 1.11 0.00 0.00 1.24 0.00 0.00 123 G 8.44 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 0.00 0.00 0.00 124 A 8.91 4.23 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 0.00 125 K 7.68 4.36 0.00 1.93 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.43 7.81 126 W 8.03 4.24 0.00 3.53 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 0.00 127 S 7.35 4.54 0.00 3.88 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 0.00 128 E 8.24 3.51 0.00 1.94 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 2.40 2.33 0.00 129 E 7.92 3.92 0.00 2.00 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 2.35 2.26 0.00 130 L 7.57 3.99 0.00 1.71 1.46 1.21 0.70 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 0.00 131 N 7.68 4.47 0.00 2.59 2.82 0.00 0.00 6.97 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 0.00 132 S 8.19 4.14 0.00 4.09 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 0.00 133 A 7.97 4.06 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 W 8.58 4.14 0.00 3.50 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.20 4.06 4.55 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 1.33 0.00 0.00 136 I 7.83 3.72 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.89 0.00 0.00 137 A 8.03 3.90 1.21 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 0.00 138 Y 8.37 3.94 0.00 3.17 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 0.00 139 D 8.39 4.48 0.00 3.04 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 0.00 140 E 8.32 3.92 0.00 1.91 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 0.00 2.54 2.42 0.00 141 L 7.99 3.92 0.00 1.70 1.56 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.17 3.72 0.97 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 0.00 143 I 7.42 3.47 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.84 0.00 0.00 144 V 7.14 3.51 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 0.97 0.00 0.00 0.92 0.00 0.00 145 I 7.67 3.74 1.80 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 1.53 0.50 1.03 0.00 0.00 146 K 7.87 3.74 0.00 1.57 1.58 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.02 0.21 7.81 147 K 7.55 3.87 0.00 1.84 1.92 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 148 E 8.06 4.03 0.00 2.16 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 2.53 2.48 0.00 149 M 8.24 4.27 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.84 0.00 150 D 7.72 4.37 0.00 2.81 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 0.00 151 D 7.73 4.49 0.00 2.68 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 0.00 152 A 7.76 4.28 1.39 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 0.00 0.00 153 A 7.55 4.33 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