NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3264 8.3344 116.7731 58.6416 65.0939 174.4491 5 V 3.7520 7.3613 120.6555 60.6012 29.6947 169.7244 6 V 3.7879 8.3902 123.3093 62.2328 33.4800 174.6225 7 K 4.7880 8.0567 124.3769 54.5939 35.3408 176.0235 8 S 4.3286 8.4535 114.7027 61.8824 63.1076 176.5614 9 E 4.1420 7.8172 117.2542 56.9357 30.0629 176.3667 10 D 4.7244 7.7795 118.1376 55.2371 42.4940 178.1321 11 Y 4.2554 7.3504 116.0126 59.4635 37.8045 177.1572 12 A 4.3095 7.2531 121.0442 52.4671 19.1697 176.6613 13 L 4.7508 7.8694 116.0689 51.5891 44.0714 174.7180 14 P 4.2690 0.0000 0.0000 63.3834 31.6594 175.7666 15 S 4.8266 8.3171 115.1849 56.5961 66.3105 172.1408 16 Y 4.5687 8.4078 121.0400 56.1755 39.8954 174.9430 17 V 4.3241 7.0802 118.0258 59.6879 35.6077 175.0658 18 D 4.5637 8.5270 123.2069 52.7036 40.8394 175.9897 19 R 4.4248 7.9310 124.2645 54.0508 32.5273 175.7418 20 R 3.3823 8.7539 125.2821 59.1863 30.1370 177.0155 21 D 4.8948 7.9883 113.9909 53.2416 39.9766 176.4617 22 Y 4.7663 8.4672 120.6745 55.6491 38.5827 173.8850 23 P 4.3826 0.0000 0.0000 64.6646 32.0917 177.4002 24 L 4.7693 6.7238 119.0355 51.4643 40.6809 174.2845 25 P 4.6501 0.0000 0.0000 62.2854 32.0980 177.5851 26 D 4.6111 8.8348 119.8453 56.6921 41.0155 177.0522 27 V 4.5486 7.0276 107.1480 58.7282 35.3248 175.1911 28 A 4.1714 8.3511 124.5683 52.2373 18.9694 177.1170 29 H 3.5546 8.4861 123.3320 58.7271 29.8125 175.6390 30 V 3.9329 7.7038 120.5193 61.2064 31.4754 175.3308 31 K 4.2297 8.4576 126.2035 56.8421 33.5995 175.8488 32 N 4.8046 7.9087 117.1576 51.3706 39.7630 173.7615 33 L 4.3492 8.2963 124.1985 53.2420 43.0324 177.6583 34 S 4.2286 8.6088 118.3139 58.6623 64.4041 175.4213 35 A 4.0522 8.4274 122.9948 54.9932 18.0424 179.8125 36 S 4.1716 7.9723 112.3655 61.2040 63.5569 176.6171 37 Q 3.9607 8.1218 121.8695 58.8857 28.3836 178.8347 38 K 4.0264 8.2236 119.1991 59.2013 32.0166 179.2923 39 A 4.1430 7.7316 121.4579 54.6605 18.3684 179.2628 40 L 3.9192 8.1354 119.1528 58.4718 41.9420 179.5168 41 K 4.0921 7.8079 116.6883 59.1361 32.2236 178.9862 42 E 4.1460 7.7619 117.9608 59.0990 29.3879 178.8141 43 K 3.9101 8.1586 119.7263 59.7194 32.0161 178.3327 44 E 3.8713 8.1661 118.0516 59.0553 29.5793 178.4220 45 K 4.2415 7.8469 116.3287 57.1476 32.3402 176.8513 46 A 4.4283 8.0249 123.0067 50.1006 20.2451 176.6393 47 S 3.8696 8.4513 112.6932 58.9303 62.8160 175.6119 48 W 4.6663 8.5362 126.2710 59.2734 29.3311 178.5426 49 S 4.2490 7.8028 114.4487 61.6974 62.2591 175.5360 50 S 4.4004 7.9018 113.5631 59.0911 62.7568 173.6060 51 L 4.7957 7.5842 122.9999 53.3913 43.6411 176.5062 52 S 4.5763 10.3177 120.3068 57.5319 65.5448 175.3521 53 I 3.6282 8.2200 124.8887 65.0258 36.9705 177.8598 54 D 4.3905 8.1707 118.7482 57.5556 40.6214 178.7971 55 E 3.9574 8.2694 118.8159 59.3400 29.6305 179.2548 56 K 3.7951 8.5849 118.8484 59.8113 32.1400 179.4033 57 V 3.6471 8.1641 118.5087 66.0494 31.2754 177.6810 58 E 3.9886 8.2753 119.0697 59.0555 29.2049 178.8126 59 L 3.9817 7.9937 118.8366 57.6954 42.0735 178.4875 60 Y 4.1926 7.9946 119.1766 60.8382 38.7002 177.9928 61 R 4.5319 8.0811 117.5434 57.4146 30.4309 178.3324 62 L 4.0949 7.6595 120.0133 56.7831 41.6504 178.3796 63 K 3.9103 7.7111 118.4347 55.9642 32.3101 176.0599 64 F 5.1744 6.8723 116.7267 55.2752 41.8501 174.0942 65 K 3.7745 8.4871 127.7619 56.6839 32.5482 176.3461 66 E 4.8222 8.7924 121.3283 55.0950 31.7643 177.0217 67 S 5.2673 8.7326 118.6462 56.9390 65.9187 175.5008 68 F 3.9790 8.9147 119.5650 60.4907 38.3408 177.7317 69 A 4.0494 8.0479 119.0527 55.1656 18.6393 179.1697 70 E 4.0864 8.1310 116.7882 59.8526 29.4662 179.5873 71 M 4.1654 8.3226 115.6369 57.7814 31.2221 177.1558 72 N 4.7009 7.7759 115.7390 52.1818 39.3886 175.4356 73 R 4.1349 7.1646 117.6670 55.8474 30.2648 176.6974 74 S 4.5424 8.3536 114.7541 57.9563 64.2932 172.6731 75 T 4.7447 8.0597 110.2218 60.1901 71.8895 173.2088 76 N 4.7305 8.4799 115.9395 53.2332 38.8947 176.6458 77 E 3.9089 8.2360 122.1595 59.3996 29.4467 178.9060 78 W 4.2995 8.3503 116.0169 59.5400 27.8723 178.2689 79 K 3.1237 6.6325 118.4999 59.2482 31.4138 179.3541 80 T 3.7503 7.5333 115.2691 66.5570 68.4592 176.6854 81 V 3.6006 7.9779 120.2749 66.0729 31.6213 178.2228 82 V 3.7973 8.5182 118.4171 65.9341 31.3258 178.2783 83 G 3.5557 8.3601 105.3976 47.6683 0.0000 175.3531 84 A 4.1199 8.5187 123.8754 54.8835 18.4309 179.3812 85 A 4.1367 8.1792 119.0205 55.8928 18.5397 179.4621 86 M 4.0183 8.1760 116.9739 58.6904 32.0849 178.6809 87 F 4.0068 8.4902 120.5709 61.6017 39.5423 177.3119 88 F 4.0311 8.8777 117.4524 60.5160 38.4795 177.8304 89 I 3.9527 8.3824 119.3600 64.1741 36.9904 178.4276 90 G 3.6273 8.6413 107.2277 47.6060 0.0000 175.4782 91 F 3.8970 8.3387 123.3378 61.4084 39.2545 177.3921 92 T 3.7348 8.1212 115.1524 66.3825 68.2188 176.3655 93 A 4.0098 7.7625 122.7269 55.0266 18.2956 179.7183 94 L 3.8707 7.4167 117.1919 57.8856 41.6520 179.6013 95 L 3.9307 7.3100 118.3740 57.8379 41.6042 179.4919 96 L 4.1753 7.9901 118.8921 57.6700 41.5143 179.6008 97 I 3.7245 8.3546 120.2726 63.9959 37.0555 178.1391 98 W 4.1720 8.7749 129.5479 60.6430 30.5448 177.5595 99 E 3.9744 8.9955 119.6192 59.2373 28.8481 178.7270 100 K 4.0574 8.1702 119.7178 59.4254 31.9927 178.4817 101 H 3.7819 7.8318 117.8689 59.1327 29.9863 176.2899 102 Y 4.0257 7.3569 115.7057 57.8849 38.1634 176.0046 103 V 4.0053 7.1839 117.1499 64.3570 33.3076 175.4869 104 Y 4.5041 6.8882 113.9011 57.7724 38.3587 176.5792 105 G 3.9951 8.3740 113.5186 43.8464 0.0000 171.4019 106 P 4.3618 0.0000 0.0000 62.2649 31.9861 175.9609 107 I 4.0064 7.7638 113.5792 59.1447 39.0382 173.7499 108 P 4.4079 0.0000 0.0000 62.5054 31.8141 177.5888 109 H 4.2020 8.7037 116.3834 58.4799 28.3479 177.2664 110 T 2.5581 6.9858 108.8322 62.9218 68.5406 174.7958 111 F 4.4440 7.6845 119.8710 58.1250 39.8442 176.6580 112 E 4.1130 8.0495 121.6248 56.3753 31.0101 177.1575 113 E 3.9896 8.9698 123.6451 59.6743 29.7870 178.8824 114 E 3.9517 8.2722 118.5551 59.0351 29.6383 178.2859 115 W 3.8679 8.2986 127.8376 60.4862 30.7668 177.6719 116 V 3.6513 8.1695 117.9084 66.1555 30.8906 177.8534 117 A 4.0294 8.1075 120.2640 55.0342 18.2364 179.7791 118 K 3.7132 7.8046 116.7698 59.4968 32.1220 179.1409 119 Q 3.8314 7.9803 120.0542 59.5749 28.9172 178.5561 120 T 3.9759 8.2514 116.8874 66.6156 68.5317 176.2365 121 K 3.5550 7.8125 121.1801 59.5757 32.1534 178.4536 122 R 3.8130 7.9127 118.7795 59.8900 29.7738 178.2058 123 M 4.0511 8.6079 118.4899 58.5727 31.9958 178.8271 124 L 4.2076 7.9605 120.3517 57.2391 41.4571 179.2622 125 D 4.4743 8.5599 118.9354 56.8643 40.7907 177.6005 126 M 4.3428 8.1459 115.0275 53.8573 32.1207 175.9825 127 K 4.3780 7.9503 117.0736 55.8055 30.5579 176.0489 128 V 3.3625 8.0908 117.3387 64.7278 32.4519 174.8874 129 A 3.6810 8.6781 129.9016 52.8194 15.2947 175.1433 130 P 4.8254 0.0000 0.0000 62.6683 32.9445 178.0656 131 I 4.1703 7.7724 119.6898 63.7446 37.8507 176.1169 132 Q 4.5899 8.0284 114.4036 57.4544 34.2404 176.3786 133 G 3.8217 8.3388 105.3500 48.2276 0.0000 173.0851 134 F 4.8635 8.5054 121.4382 59.4464 43.4600 176.5389 135 S 4.2856 9.3362 117.1040 61.1674 63.1329 176.6221 136 A 4.1489 8.3340 122.4354 54.8277 18.1564 178.0743 137 K 4.4261 8.2819 113.3436 56.2657 32.7938 175.7844 138 W 4.6559 7.9948 129.8073 55.5561 31.9666 175.0566 139 D 4.4482 7.7069 125.6827 52.8172 40.4026 176.5655 140 Y 4.2146 8.3553 125.4705 60.4184 38.4320 178.2414 141 D 4.4609 8.1750 119.1702 57.0795 41.2662 177.8978 142 K 3.9565 7.9941 115.9555 56.6402 32.4043 176.4866 143 N 3.8672 7.5581 116.6636 53.7633 37.7556 172.6201 144 E 3.6672 6.0883 112.2335 53.5139 33.9014 174.5061 145 W 4.6542 8.0226 120.1252 56.6975 29.4865 176.6444 146 K 3.9934 8.8778 124.7768 56.4069 32.4132 177.3940 147 K 4.1498 8.4828 121.6382 56.8439 32.0575 177.0325 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 4 S 8.33 4.33 0.00 3.80 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 5 V 7.36 3.75 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 0.72 0.00 0.00 0.91 0.00 0.00 6 V 8.39 3.79 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 0.88 0.00 0.00 1.00 0.00 0.00 7 K 8.06 4.79 0.00 1.74 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.41 7.81 8 S 8.45 4.33 0.00 3.91 3.94 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 9 E 7.82 4.14 0.00 1.80 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 2.16 2.23 0.00 10 D 7.78 4.72 0.00 2.97 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 11 Y 7.35 4.26 0.00 3.03 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 12 A 7.25 4.31 1.06 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 13 L 7.87 4.75 0.00 1.68 1.56 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.27 0.00 2.06 2.05 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 15 S 8.32 4.83 0.00 3.98 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 16 Y 8.41 4.57 0.00 3.04 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 17 V 7.08 4.32 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 0.71 0.00 0.00 0.81 0.00 0.00 18 D 8.53 4.56 0.00 2.68 2.59 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 19 R 7.93 4.42 0.00 1.75 1.85 0.00 3.60 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 1.60 1.56 0.00 20 R 8.75 3.38 0.00 1.84 2.13 0.00 3.33 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 21 D 7.99 4.89 0.00 2.84 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 22 Y 8.47 4.77 0.00 2.88 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 23 P 0.00 4.38 0.00 2.27 2.39 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 24 L 6.72 4.77 0.00 1.47 1.66 0.95 1.20 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 25 P 0.00 4.65 0.00 2.25 1.69 0.00 3.90 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 26 D 8.83 4.61 0.00 2.73 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 27 V 7.03 4.55 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.03 0.00 0.00 28 A 8.35 4.17 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 29 H 8.49 3.55 0.00 2.31 3.16 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.70 3.93 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 0.77 0.00 0.00 0.74 0.00 0.00 31 K 8.46 4.23 0.00 1.86 1.87 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 32 N 7.91 4.80 0.00 2.67 2.76 0.00 0.00 6.94 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 33 L 8.30 4.35 0.00 1.61 1.57 0.90 0.90 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 34 S 8.61 4.23 0.00 4.03 4.03 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 35 A 8.43 4.05 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 36 S 7.97 4.17 0.00 4.06 4.12 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 37 Q 8.12 3.96 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 38 K 8.22 4.03 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.66 7.81 39 A 7.73 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.14 3.92 0.00 1.90 1.88 0.94 0.53 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 41 K 7.81 4.09 0.00 1.97 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.62 7.81 42 E 7.76 4.15 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 43 K 8.16 3.91 0.00 2.01 1.95 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.17 3.87 0.00 2.08 2.25 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 2.60 2.48 0.00 45 K 7.85 4.24 0.00 1.92 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.67 7.81 46 A 8.02 4.43 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 47 S 8.45 3.87 0.00 3.81 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 48 W 8.54 4.67 0.00 3.51 3.08 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 49 S 7.80 4.25 0.00 3.84 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 50 S 7.90 4.40 0.00 4.07 3.94 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 51 L 7.58 4.80 0.00 2.00 1.59 1.01 0.95 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 52 S 10.32 4.58 0.00 4.10 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 53 I 8.22 3.63 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 1.64 0.89 0.90 0.00 0.00 54 D 8.17 4.39 0.00 2.72 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 55 E 8.27 3.96 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 56 K 8.58 3.80 0.00 2.01 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.53 7.81 57 V 8.16 3.65 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 1.09 0.00 0.00 0.91 0.00 0.00 58 E 8.28 3.99 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 59 L 7.99 3.98 0.00 1.82 1.66 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.99 4.19 0.00 3.21 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 61 R 8.08 4.53 0.00 1.89 2.04 0.00 3.46 0.00 0.00 3.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.76 0.00 62 L 7.66 4.09 0.00 1.77 1.61 0.89 0.69 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 63 K 7.71 3.91 0.00 1.49 1.14 0.00 1.06 0.00 0.00 1.30 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 F 6.87 5.17 0.00 2.61 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 65 K 8.49 3.77 0.00 0.92 1.80 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.25 7.81 66 E 8.79 4.82 0.00 2.23 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 2.49 2.27 0.00 67 S 8.73 5.27 0.00 4.09 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 68 F 8.91 3.98 0.00 3.06 3.17 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 0.00 69 A 8.05 4.05 1.32 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 0.00 0.00 70 E 8.13 4.09 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 71 M 8.32 4.17 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 72 N 7.78 4.70 0.00 2.88 2.91 0.00 0.00 7.01 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 73 R 7.16 4.13 0.00 1.97 1.95 0.00 3.08 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.58 0.00 74 S 8.35 4.54 0.00 4.06 3.94 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 75 T 8.06 4.74 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 1.25 0.00 0.00 76 N 8.48 4.73 0.00 2.71 2.69 0.00 0.00 6.41 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 77 E 8.24 3.91 0.00 2.08 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 2.34 2.36 0.00 78 W 8.35 4.30 0.00 3.65 3.33 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 79 K 6.63 3.12 0.00 1.44 1.36 0.00 1.28 0.00 0.00 1.21 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.53 3.75 4.33 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 1.18 0.00 0.00 81 V 7.98 3.60 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 1.06 0.00 0.00 1.01 0.00 0.00 82 V 8.52 3.80 2.38 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 1.10 0.00 0.00 1.15 0.00 0.00 83 G 8.36 3.56 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 0.00 0.00 0.00 84 A 8.52 4.12 1.55 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 85 A 8.18 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.18 4.02 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.63 0.00 87 F 8.49 4.01 0.00 3.04 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 88 F 8.88 4.03 0.00 3.28 3.17 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 0.00 89 I 8.38 3.95 1.99 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 1.52 0.64 0.94 0.00 0.00 90 G 8.64 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 91 F 8.34 3.90 0.00 2.39 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 92 T 8.12 3.73 4.40 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 1.22 0.00 0.00 93 A 7.76 4.01 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 94 L 7.42 3.87 0.00 1.45 1.50 0.88 0.33 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 95 L 7.31 3.93 0.00 1.70 1.63 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.99 4.18 0.00 1.89 1.74 0.93 0.74 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 97 I 8.35 3.72 2.01 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 1.40 0.68 0.91 0.00 0.00 98 W 8.77 4.17 0.00 3.48 3.46 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 99 E 9.00 3.97 0.00 2.23 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 1.70 2.10 0.00 100 K 8.17 4.06 0.00 2.02 2.01 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.47 7.81 101 H 7.83 3.78 0.00 2.88 2.79 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.36 4.03 0.00 1.43 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 0.00 0.00 0.00 0.00 103 V 7.18 4.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.78 0.00 0.00 104 Y 6.89 4.50 0.00 3.01 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 0.00 105 G 8.37 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 0.00 0.00 0.00 106 P 0.00 4.36 0.00 2.16 2.03 0.00 3.74 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 1.96 1.92 0.00 107 I 7.76 4.01 1.49 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.57 0.00 0.00 108 P 0.00 4.41 0.00 2.20 1.93 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 109 H 8.70 4.20 0.00 3.47 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.99 2.56 3.51 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 0.03 0.00 0.00 111 F 7.68 4.44 0.00 3.14 3.08 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 0.00 112 E 8.05 4.11 0.00 2.25 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 2.39 2.42 0.00 113 E 8.97 3.99 0.00 2.09 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 2.43 2.44 0.00 114 E 8.27 3.95 0.00 2.12 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 2.40 2.38 0.00 115 W 8.30 3.87 0.00 3.57 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 0.00 116 V 8.17 3.65 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.11 0.00 0.00 117 A 8.11 4.03 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 0.00 118 K 7.80 3.71 0.00 1.61 1.52 0.00 1.60 0.00 0.00 1.28 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.39 7.81 119 Q 7.98 3.83 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 120 T 8.25 3.98 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 1.47 0.00 0.00 121 K 7.81 3.55 0.00 1.63 1.66 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.28 7.81 122 R 7.91 3.81 0.00 1.82 1.96 0.00 3.07 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 123 M 8.61 4.05 0.00 2.12 2.43 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 124 L 7.96 4.21 0.00 1.45 1.35 -0.91 0.43 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 0.00 125 D 8.56 4.47 0.00 2.73 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 0.00 126 M 8.15 4.34 0.00 2.14 2.15 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 2.62 2.79 0.00 127 K 7.95 4.38 0.00 1.92 1.92 0.00 1.44 0.00 0.00 0.87 0.00 0.00 2.55 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.50 1.23 7.81 128 V 8.09 3.36 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 0.86 0.00 0.00 0.96 0.00 0.00 129 A 8.68 3.68 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.83 0.00 2.24 2.34 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 131 I 7.77 4.17 1.92 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 1.44 0.47 0.94 0.00 0.00 132 Q 8.03 4.59 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.34 3.82 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 0.00 0.00 0.00 134 F 8.51 4.86 0.00 3.08 3.24 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 0.00 135 S 9.34 4.29 0.00 4.14 4.30 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 0.00 0.00 0.00 0.00 136 A 8.33 4.15 1.46 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 0.00 0.00 137 K 8.28 4.43 0.00 2.13 1.95 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.43 7.81 138 W 7.99 4.66 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.45 0.00 2.34 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 0.00 0.00 0.00 140 Y 8.36 4.21 0.00 3.11 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 0.00 141 D 8.18 4.46 0.00 2.76 2.69 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 0.00 0.00 0.00 142 K 7.99 3.96 0.00 1.54 1.67 0.00 1.94 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.28 7.81 143 N 7.56 3.87 0.00 2.80 2.77 0.00 0.00 6.91 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 6.09 3.67 0.00 1.72 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.01 0.00 145 W 8.02 4.65 0.00 3.18 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 0.00 146 K 8.88 3.99 0.00 1.66 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.47 7.81 147 K 8.48 4.15 0.00 1.71 1.71 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.49 7.81