NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7002 8.4093 118.1236 53.4664 39.8979 173.7598 4 T 4.5346 8.5645 113.7802 57.9179 73.2469 172.4999 5 P 4.4400 0.0000 0.0000 65.1059 31.6407 179.9426 6 E 3.9012 8.0226 116.9850 59.5182 29.3637 179.5323 7 S 4.1694 8.2234 114.1806 61.3533 63.0007 176.7704 8 R 3.9048 7.9694 121.8608 58.7651 29.6906 178.7987 9 L 3.9149 8.1603 119.3327 57.7272 41.5671 179.5571 10 V 3.5303 7.7665 117.7555 66.1935 31.2625 177.8343 11 A 3.9689 8.0935 118.9498 54.9536 18.2668 178.5791 12 A 4.3102 7.9934 116.5726 51.7937 18.8366 177.6714 13 G 3.8202 8.1067 105.5871 46.3347 0.0000 173.5118 14 L 4.6148 8.1778 119.8630 52.4559 43.2801 175.7363 15 E 4.5873 8.4855 124.1547 54.0840 31.2766 175.1894 16 L 4.1730 8.3331 126.2962 53.7322 42.2727 175.3652 17 P 4.5313 0.0000 0.0000 61.8350 32.2681 175.5160 18 E 4.0323 8.3250 119.6093 55.8553 30.1012 176.2862 19 V 3.7460 8.1637 124.9543 62.3159 32.2148 175.8722 20 A 4.0060 8.3717 129.6687 51.5841 19.0727 176.7099 21 A 4.1541 8.0393 122.3435 51.1129 19.3775 177.8006 22 A 3.9135 8.2033 123.0898 52.7264 18.6312 178.0989 23 L 4.3391 8.9218 120.4142 55.4922 42.1899 177.1150 24 G 4.1732 6.8716 105.9339 45.6281 0.0000 172.8308 25 N 4.6693 8.6774 115.6233 51.9126 37.2789 173.4088 26 Y 4.9330 6.5731 115.4527 55.1817 41.9757 175.1282 27 E 4.3394 8.6283 120.0859 54.6860 30.7872 175.5660 28 P 4.5403 0.0000 0.0000 65.5429 31.6932 175.4857 29 Y 5.1258 7.0703 114.7114 55.7717 40.7416 173.2864 30 S 4.7680 8.4229 113.7780 56.8895 66.4092 172.7693 31 I 4.9578 8.2084 120.5588 59.4797 40.4883 175.5194 32 V 4.4420 8.6578 124.1591 60.7184 34.7249 175.8314 33 G 3.8156 8.4754 114.5194 47.0165 0.0000 173.7532 34 S 4.6451 8.8315 119.2390 57.5828 63.2001 172.3717 35 Q 5.1522 8.4006 121.4776 54.7191 30.8289 174.9539 36 L 5.5529 9.2582 126.7263 52.6993 45.3070 174.8062 *38 T 4.5725 8.1635 110.2574 61.6993 69.9360 174.2922 39 S 4.6769 8.7383 119.2851 57.6453 65.0383 173.9097 40 G 2.6674 8.4170 107.8378 46.5285 0.0000 173.3228 41 Q 4.9465 8.4384 123.4336 53.9745 31.8838 174.8522 42 F 4.9723 8.8745 120.8444 54.6389 42.8274 173.4848 43 P 4.8796 0.0000 0.0000 62.3731 29.4306 174.1540 44 Y 5.0633 7.8520 122.2105 57.4939 39.9435 175.1781 45 L 4.7218 8.7355 125.2315 54.6604 45.0477 176.3956 46 Q 3.3787 9.9120 125.0155 57.1072 26.3274 174.8671 47 G 3.7651 8.3034 102.6099 45.5164 0.0000 173.4584 48 K 4.4759 8.1870 122.0553 54.0263 33.7487 175.0190 49 L 4.3865 8.5488 128.1680 54.7837 41.7359 176.3961 50 L 3.9744 8.6000 127.5362 56.3052 42.1628 176.7846 51 Y 4.3544 7.7155 114.8562 54.9480 39.6056 174.5764 52 Q 5.6123 9.6075 123.7565 55.1529 31.3222 175.8258 53 G 3.9894 7.6475 113.7792 45.4248 0.0000 169.5869 54 Q 4.8727 8.7335 122.3918 53.7005 32.1493 175.3466 55 L 4.4904 9.1044 127.8810 56.5926 42.5742 177.3860 56 G 3.9918 9.7241 114.9920 45.0817 0.0000 173.6699 57 A 4.4572 7.9148 119.5232 53.4916 20.6284 176.9679 58 D 4.5747 8.3972 113.3762 54.6807 42.5642 176.7269 59 Y 5.0753 7.4987 115.5952 55.6496 41.4788 175.2771 60 T 4.3144 9.0017 114.8230 60.8612 71.3466 176.2096 61 V 3.6424 8.2946 120.3209 66.2869 31.5159 178.0372 62 S 4.1724 8.0839 113.4417 61.4552 62.7762 176.2003 63 E 4.2005 8.2630 122.5274 59.0364 29.1592 179.3414 64 G 3.5085 8.4785 106.2560 47.8588 0.0000 174.8778 65 Y 4.1442 8.3887 122.2924 60.5188 38.7945 178.1944 66 A 4.0375 8.2612 121.2737 55.0788 18.4066 179.4813 67 A 3.2021 7.5471 119.4340 55.3172 18.3519 179.7515 68 C 3.9847 7.9504 115.3752 62.6164 28.0427 176.2970 69 R 3.8364 7.8884 120.5993 59.3637 29.6798 178.4245 70 L 3.9515 8.0232 119.9082 58.0374 42.0574 178.6681 71 A 4.2659 8.2356 122.5539 54.9995 18.0847 179.8087 72 T 3.8081 7.9674 114.2927 66.4776 68.5040 176.7598 73 L 3.9906 8.1594 122.5183 58.1424 42.0582 178.7771 74 N 4.3647 8.3929 116.2052 56.3457 38.5436 177.1512 75 A 4.1072 8.1033 122.1364 55.3585 18.3832 179.7623 76 I 3.7317 8.3012 118.4973 64.3648 37.1303 178.3787 77 A 4.0030 8.1677 121.7285 55.3060 18.1644 179.5084 78 Q 3.9217 8.0302 117.9540 59.3122 29.1063 178.4202 79 L 3.8291 7.9537 120.1001 57.6027 41.5447 179.4348 80 K 3.9504 8.4723 120.0678 59.3204 31.8689 178.7068 81 Q 3.9191 7.8879 119.0592 59.1283 29.0778 177.8447 82 A 4.0262 7.6708 120.9500 54.4345 18.4394 178.4448 83 C 4.4735 8.1642 110.4062 57.5837 30.7274 174.6494 84 G 4.2473 8.5167 115.0622 45.2617 0.0000 173.4700 85 E 4.7705 7.5873 120.0508 53.5810 32.0345 177.2004 86 L 4.1460 9.1677 124.8856 57.4001 41.9212 179.6704 87 S 4.3004 8.0490 113.7565 61.1421 62.8432 175.5140 88 R 4.1209 8.0159 118.4595 57.7769 30.0942 176.8113 89 I 3.9783 7.4266 119.7912 60.8781 37.4064 176.2489 90 K 4.2241 8.9668 126.6654 59.1714 32.4410 177.6149 91 Q 4.7146 7.6171 113.5526 55.3403 30.7309 173.5088 92 I 4.4395 8.2045 123.0701 60.5034 36.1353 175.1080 93 Y 4.5409 8.1862 123.9370 58.2620 39.6593 175.3936 94 R 5.1324 7.3058 120.1284 54.8620 34.0551 172.9690 95 L 5.2556 8.8841 127.6260 53.3132 45.2659 174.7532 96 E 5.0149 9.7176 125.2429 54.6018 33.2900 174.9424 97 G 4.5510 8.8182 110.9091 44.3333 0.0000 171.1871 98 V 5.3197 9.0667 123.4040 60.9197 34.5365 174.3459 99 L 5.3054 8.9287 126.6028 52.9378 46.0656 174.8202 100 N 5.3688 8.7041 120.7779 51.7976 40.3319 173.9806 101 V 4.8890 8.1810 125.3994 61.2258 34.7943 174.4368 102 H 4.4040 9.3442 128.0308 55.9082 30.5063 176.0159 103 Q 3.9901 8.5583 123.3350 59.2520 28.6189 178.3999 104 S 4.3648 8.2000 109.4899 59.3365 63.3842 173.1879 105 C 4.8553 8.2121 122.2154 57.8079 33.3682 173.2583 106 I 4.6539 8.4595 119.5457 60.9805 37.8466 175.1391 107 E 4.5729 8.1358 118.8132 57.4034 29.5899 177.9568 108 H 4.3235 8.2656 118.6139 58.2324 28.5571 175.3291 109 P 4.1719 0.0000 0.0000 65.3356 30.8877 178.5525 110 K 4.2497 7.8893 116.5022 59.2544 32.1336 178.9541 111 A 4.2817 7.8732 120.7497 55.1512 18.4701 179.2832 112 L 3.8635 8.2073 118.5379 57.7776 42.1300 178.6011 113 D 4.5451 8.1249 118.6237 56.9573 40.1029 178.7032 114 G 2.3100 7.6439 106.5931 47.0578 0.0000 175.6698 115 A 3.9803 7.4809 124.2179 54.5303 18.6515 179.7906 116 S 4.1083 7.9400 113.0895 62.0472 62.8800 176.6987 117 D 4.4267 8.5155 121.7747 57.2551 40.4892 178.6269 118 L 3.9752 7.6182 119.9337 57.9870 41.9884 178.9611 119 L 4.1813 7.9162 118.9338 57.8962 41.5718 179.5606 120 L 4.0670 7.9627 118.5906 57.7702 41.3565 179.1432 121 E 3.9619 8.3636 118.5409 59.0142 29.9256 178.2630 122 I 3.9775 8.1203 119.3775 62.8749 37.6855 177.2374 123 F 4.6171 8.6481 116.7098 56.5498 39.8841 177.1071 124 G 3.9147 8.6870 108.4164 46.3234 0.0000 176.8701 125 E 4.0339 8.8851 120.4816 59.2159 29.6076 178.3897 126 A 4.2483 8.1367 120.8569 53.6833 18.4648 178.4355 127 G 4.0865 8.2325 104.3072 45.0201 0.0000 174.3884 128 R 4.1372 7.7192 120.4273 56.2488 30.4275 175.6469 129 H 5.2792 8.1301 117.5569 53.8970 32.0867 173.1617 130 S 4.6142 8.7879 115.4638 58.4406 64.9335 172.7233 131 R 5.4116 7.6493 114.7859 55.5411 31.7773 173.5889 *133 I 3.9788 8.2946 117.7442 61.2709 39.0501 176.1777 134 W 5.4456 9.1239 127.1017 55.1933 33.8523 173.8987 135 T 5.7701 8.6298 111.3860 59.4200 70.4726 173.1560 136 N 5.2268 8.5646 121.1054 50.8100 42.2247 173.8374 137 P 4.2419 0.0000 0.0000 64.8363 31.9172 175.8371 138 V 4.4015 7.1828 116.3403 60.3185 35.1018 172.0470 *140 P 4.1702 0.0000 0.0000 63.4824 32.1273 177.1850 141 L 3.7613 9.1574 119.6600 54.8160 39.4348 173.7534 142 N 4.2353 8.2481 114.7235 54.1936 37.4570 173.7836 143 S 4.6787 8.1903 109.7301 57.7740 63.2609 173.8888 144 L 4.6828 8.9497 128.6428 57.6535 42.8421 176.1100 145 C 5.2381 7.7988 110.9910 57.1085 33.1124 173.7059 146 L 4.5489 8.8136 118.7635 53.1047 45.9267 175.5732 147 V 4.9072 8.3745 122.4811 61.2940 35.0088 173.7661 148 Y 4.9531 9.2093 123.8299 56.1718 41.6794 174.4079 149 L 5.2537 8.4234 122.8655 52.9018 45.3684 175.9662 150 F 4.8137 8.7420 119.7064 55.5583 42.4762 173.9585 151 A 5.0709 9.0933 125.0089 50.0235 22.6537 174.1448 152 E 4.9731 9.6272 122.6489 55.1083 31.4869 176.1833 153 L 4.4450 8.9882 126.3238 54.8654 41.6212 176.3428 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 3 N 8.41 4.70 0.00 2.72 2.83 0.00 0.00 6.71 6.65 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 4 T 8.56 4.53 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 1.19 0.00 0.00 5 P 0.00 4.44 0.00 1.85 1.10 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.72 0.00 6 E 8.02 3.90 0.00 2.00 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 2.37 2.39 0.00 7 S 8.22 4.17 0.00 4.02 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 8 R 7.97 3.90 0.00 1.92 1.95 0.00 3.19 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 9 L 8.16 3.91 0.00 1.80 1.86 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.77 3.53 2.22 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 1.09 0.00 0.00 0.91 0.00 0.00 11 A 8.09 3.97 1.36 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 12 A 7.99 4.31 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 13 G 8.11 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 14 L 8.18 4.61 0.00 1.70 1.60 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.49 4.59 0.00 2.17 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 0.00 2.21 1.87 0.00 16 L 8.33 4.17 0.00 1.68 1.60 0.92 1.07 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 17 P 0.00 4.53 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 18 E 8.32 4.03 0.00 2.18 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 2.29 1.87 0.00 19 V 8.16 3.75 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 0.92 0.00 0.00 0.95 0.00 0.00 20 A 8.37 4.01 1.05 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 0.00 0.00 21 A 8.04 4.15 1.15 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 0.00 0.00 22 A 8.20 3.91 0.45 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 23 L 8.92 4.34 0.00 1.94 1.86 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 G 6.87 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 0.00 0.00 0.00 0.00 25 N 8.68 4.67 0.00 2.76 2.81 0.00 0.00 6.53 7.46 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 26 Y 6.57 4.93 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.63 4.34 0.00 1.95 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 2.26 2.16 0.00 28 P 0.00 4.54 0.00 2.56 2.37 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 29 Y 7.07 5.13 0.00 3.04 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 30 S 8.42 4.77 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.21 4.96 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 1.00 0.00 0.00 32 V 8.66 4.44 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 0.80 0.00 0.00 0.97 0.00 0.00 33 G 8.48 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 34 S 8.83 4.65 0.00 4.03 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 35 Q 8.40 5.15 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 36 L 9.26 5.55 0.00 1.70 1.51 0.62 0.42 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 *38 T 8.16 4.57 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 39 S 8.74 4.68 0.00 3.98 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 40 G 8.42 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 0.00 0.00 0.00 41 Q 8.44 4.95 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 42 F 8.87 4.97 0.00 2.37 2.41 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 43 P 0.00 4.88 0.00 2.33 2.40 0.00 3.73 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 2.13 1.96 0.00 44 Y 7.85 5.06 0.00 3.23 2.83 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 45 L 8.74 4.72 0.00 1.72 1.50 0.96 1.10 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 46 Q 9.91 3.38 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 47 G 8.30 3.77 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 0.00 0.00 0.00 48 K 8.19 4.48 0.00 1.85 1.82 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.21 7.81 49 L 8.55 4.39 0.00 1.51 1.57 0.66 0.98 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 50 L 8.60 3.97 0.00 1.77 0.98 0.91 0.73 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 51 Y 7.72 4.35 0.00 2.81 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 0.00 0.00 0.00 0.00 52 Q 9.61 5.61 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 53 G 7.65 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.73 4.87 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 55 L 9.10 4.49 0.00 1.87 1.60 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.72 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.91 4.46 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 58 D 8.40 4.57 0.00 2.28 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 0.00 0.00 0.00 0.00 59 Y 7.50 5.08 0.00 3.07 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 60 T 9.00 4.31 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 1.26 0.00 0.00 61 V 8.29 3.64 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 1.26 0.00 0.00 0.97 0.00 0.00 62 S 8.08 4.17 0.00 4.07 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 63 E 8.26 4.20 0.00 2.44 2.33 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 2.55 2.47 0.00 64 G 8.48 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 0.00 0.00 0.00 0.00 65 Y 8.39 4.14 0.00 2.99 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 66 A 8.26 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.55 3.20 0.39 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 68 C 7.95 3.98 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.89 3.84 0.00 1.70 2.04 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 70 L 8.02 3.95 0.00 1.87 1.83 1.02 1.07 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 71 A 8.24 4.27 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 72 T 7.97 3.81 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 1.19 0.00 0.00 73 L 8.16 3.99 0.00 1.91 1.87 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.39 4.36 0.00 3.05 2.96 0.00 0.00 6.90 7.31 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 75 A 8.10 4.11 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 76 I 8.30 3.73 2.07 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 1.73 0.94 1.03 0.00 0.00 77 A 8.17 4.00 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 78 Q 8.03 3.92 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 79 L 7.95 3.83 0.00 1.94 1.67 0.78 0.60 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 80 K 8.47 3.95 0.00 1.86 2.05 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 81 Q 7.89 3.92 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 82 A 7.67 4.03 0.43 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 83 C 8.16 4.47 0.00 3.11 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 84 G 8.52 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 0.00 0.00 0.00 0.00 85 E 7.59 4.77 0.00 1.97 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 2.28 2.23 0.00 86 L 9.17 4.15 0.00 1.92 1.85 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.05 4.30 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.02 4.12 0.00 1.91 2.01 0.00 3.33 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 89 I 7.43 3.98 2.10 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 1.29 0.51 0.89 0.00 0.00 90 K 8.97 4.22 0.00 1.88 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.40 7.81 91 Q 7.62 4.71 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 92 I 8.20 4.44 1.65 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 0.62 -0.04 0.74 0.00 0.00 93 Y 8.19 4.54 0.00 3.06 3.34 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 94 R 7.31 5.13 0.00 1.80 1.30 0.00 3.22 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.56 0.00 95 L 8.88 5.26 0.00 1.64 1.42 0.91 0.53 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 96 E 9.72 5.01 0.00 2.25 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 0.00 2.18 2.39 0.00 97 G 8.82 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 0.00 0.00 0.00 0.00 98 V 9.07 5.32 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 1.06 0.00 0.00 1.08 0.00 0.00 99 L 8.93 5.31 0.00 1.64 1.52 0.97 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.70 5.37 0.00 2.91 2.74 0.00 0.00 6.47 7.81 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 0.00 101 V 8.18 4.89 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 0.88 0.00 0.00 0.90 0.00 0.00 102 H 9.34 4.40 0.00 3.42 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.56 3.99 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 104 S 8.20 4.36 0.00 4.03 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 0.00 105 C 8.21 4.86 0.00 2.97 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 0.00 106 I 8.46 4.65 1.91 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 1.44 0.88 0.95 0.00 0.00 107 E 8.14 4.57 0.00 2.05 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 2.37 2.25 0.00 108 H 8.27 4.32 0.00 3.38 3.57 0.00 5.46 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 0.00 109 P 0.00 4.17 0.00 2.12 2.06 0.00 3.48 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 110 K 7.89 4.25 0.00 1.96 1.93 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.54 7.81 111 A 7.87 4.28 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 0.00 112 L 8.21 3.86 0.00 1.75 1.65 0.89 1.20 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 0.00 113 D 8.12 4.55 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.64 2.31 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 0.00 115 A 7.48 3.98 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 0.00 116 S 7.94 4.11 0.00 3.90 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 0.00 117 D 8.52 4.43 0.00 2.73 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 0.00 118 L 7.62 3.98 0.00 1.85 1.77 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.92 4.18 0.00 1.94 1.72 0.61 0.54 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 0.00 120 L 7.96 4.07 0.00 1.93 1.76 0.95 0.70 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 0.00 121 E 8.36 3.96 0.00 2.05 2.24 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 2.33 2.37 0.00 122 I 8.12 3.98 1.88 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 1.72 1.03 0.44 0.00 0.00 123 F 8.65 4.62 0.00 3.24 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 0.00 124 G 8.69 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 0.00 0.00 0.00 125 E 8.89 4.03 0.00 2.05 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 2.43 2.28 0.00 126 A 8.14 4.25 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 128 R 7.72 4.14 0.00 1.83 1.90 0.00 3.42 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 129 H 8.13 5.28 0.00 3.08 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.79 4.61 0.00 3.90 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 0.00 131 R 7.65 5.41 0.00 1.94 1.95 0.00 2.65 0.00 0.00 3.81 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 *133 I 8.29 3.98 1.74 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.77 0.00 0.00 134 W 9.12 5.45 0.00 3.28 2.83 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 0.00 135 T 8.63 5.77 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 1.04 0.00 0.00 136 N 8.56 5.23 0.00 2.65 2.68 0.00 0.00 6.90 8.03 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 0.00 137 P 0.00 4.24 0.00 2.18 2.19 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 138 V 7.18 4.40 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 0.88 0.00 0.00 0.94 0.00 0.00 *140 P 0.00 4.17 0.00 2.66 2.18 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 141 L 9.16 3.76 0.00 1.82 1.72 0.46 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.25 4.24 0.00 2.97 2.86 0.00 0.00 6.74 7.53 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 0.00 143 S 8.19 4.68 0.00 4.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.95 4.68 0.00 1.79 1.54 1.17 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 145 C 7.80 5.24 0.00 2.96 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 0.00 146 L 8.81 4.55 0.00 1.45 1.35 0.80 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.37 4.91 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 1.02 0.00 0.00 0.86 0.00 0.00 148 Y 9.21 4.95 0.00 3.11 2.65 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 0.00 149 L 8.42 5.25 0.00 1.35 1.37 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.74 4.81 0.00 2.12 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 0.00 0.00 0.00 0.00 151 A 9.09 5.07 1.10 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 0.00 0.00 152 E 9.63 4.97 0.00 2.13 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 2.28 2.28 0.00 153 L 8.99 4.45 0.00 1.54 1.56 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.