NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7058 8.2827 118.1257 53.5476 41.2034 176.0860 5 N 4.0697 8.1026 115.5874 56.0136 39.0161 175.1052 6 L 3.9916 8.0870 121.4299 57.9312 42.4906 178.5018 7 V 3.5183 7.6882 117.8129 65.8691 31.6062 177.0759 8 E 3.9921 8.1189 119.0041 59.8728 29.2182 178.9795 9 T 3.9005 7.5952 113.5837 67.0649 68.3430 176.1625 10 T 4.0520 8.2188 117.9009 67.2547 68.5232 175.9120 11 C 4.4569 8.5614 118.1473 59.5313 39.9906 176.2252 12 K 4.1311 8.4428 119.7557 58.6983 31.9499 177.3251 13 N 4.9576 7.7746 115.8088 52.4537 39.7362 174.8741 14 T 4.7637 7.0701 108.1385 59.2760 72.1539 172.0097 15 P 4.5173 0.0000 0.0000 64.1243 31.6164 177.0027 16 N 4.9535 7.7743 117.5615 51.3666 40.3390 173.4296 17 Y 4.3284 8.4964 125.3130 59.8606 39.1175 177.4686 18 Q 3.9236 8.1073 118.2318 58.6724 28.9200 178.1445 19 L 3.9898 7.9950 121.1486 57.7987 42.0721 178.0699 20 C 4.1438 8.2940 118.6941 59.6345 44.1010 175.5447 21 L 3.7613 7.4682 120.4362 57.7072 40.9687 179.4993 22 K 3.8730 7.7415 118.1040 59.6714 32.2172 178.8189 23 T 3.9896 7.8186 115.9742 66.6421 68.6135 176.7726 24 L 3.9860 8.1835 121.1411 57.8905 41.5225 179.5469 25 L 4.1693 7.9650 116.9949 56.7396 41.6741 178.6149 26 S 4.4580 7.5898 113.7816 57.8734 63.5916 173.0994 27 D 4.8706 7.5578 124.9841 52.5565 42.7285 177.7963 28 K 4.0642 8.6439 130.8662 59.8023 31.7381 176.2583 29 R 4.1883 8.8279 117.0733 58.5584 29.7551 178.4832 30 S 4.3147 7.7383 112.8176 60.0937 63.3325 175.4872 31 A 4.1050 7.3785 125.4168 55.2684 18.4619 178.5406 32 T 4.2147 8.1245 103.9212 64.3095 69.8280 175.2570 33 G 3.8362 7.5100 109.2102 43.6228 0.0000 173.2794 34 D 4.6517 8.5086 123.3550 52.2849 40.8635 176.8920 35 I 3.7744 8.1614 117.6928 64.2185 37.7403 177.6918 36 T 3.9279 7.4306 116.2593 66.7646 68.1489 176.7428 37 T 3.8873 8.0084 117.6031 66.5620 68.4380 176.6710 38 L 3.9481 7.9342 120.2393 57.5943 41.6174 179.1768 39 A 3.9690 8.0981 120.6718 55.3674 18.3173 179.7969 40 L 3.9577 7.9348 117.4025 57.7382 41.4838 179.8068 41 I 3.6685 7.9791 120.1039 64.4434 37.0082 177.9830 42 M 3.9639 7.9612 118.9560 58.7499 32.1119 178.2616 43 V 3.5731 7.9074 118.3315 66.3382 31.7907 177.6552 44 D 4.3799 8.3949 118.2349 57.2300 40.4190 178.6950 45 A 4.0841 7.7368 121.3823 54.8852 18.4065 179.7402 46 I 3.6930 7.9774 118.5734 64.3225 37.0924 178.4964 47 K 3.9120 8.2538 120.3215 59.4004 31.9031 178.6607 48 A 3.9666 7.8982 120.6466 55.2593 18.2668 179.8573 49 K 3.9466 7.9365 116.7509 59.4220 32.0430 179.5772 50 A 4.1699 8.4089 121.4551 55.2835 18.2027 179.4655 51 N 4.2700 8.5090 115.5672 56.3249 38.5784 177.5401 52 Q 3.9301 7.9310 118.5930 58.6552 28.7949 178.3055 53 A 3.3711 7.9489 122.9220 54.7343 18.2483 179.2260 54 A 3.7196 7.7114 119.4203 55.3281 18.3317 180.1289 55 V 3.4733 7.3455 116.7199 66.3175 31.6386 178.4981 56 T 3.7440 7.5832 115.5145 66.4234 68.1097 176.6799 57 I 3.5778 7.4645 121.9631 64.3787 37.0038 178.3465 58 S 4.0930 7.7179 113.3583 61.4612 62.0117 176.2841 59 K 3.9464 7.8112 119.7294 59.5042 32.0891 179.0612 60 L 4.2854 8.0307 119.2517 57.9419 41.4042 179.7657 61 R 4.2334 8.3640 117.1037 58.6403 30.0700 177.7173 62 H 4.8269 7.8554 113.5672 55.2908 29.5484 175.2253 63 S 4.6986 7.5623 116.0214 58.3869 63.8123 173.8387 64 N 4.1287 8.2375 115.6210 53.9437 36.4977 171.3492 65 P 4.5972 0.0000 0.0000 61.2370 33.2359 175.4722 66 P 4.1596 0.0000 0.0000 62.6952 31.4237 177.4825 67 A 4.0197 8.6443 123.7394 55.1954 18.5611 179.9252 68 A 4.1221 7.9451 117.8457 54.7853 18.7715 178.7719 69 W 5.0337 8.2497 114.3179 57.5801 29.4978 178.5300 70 K 4.1834 7.9763 120.4196 59.2370 31.6813 178.8743 71 G 3.4391 7.9731 105.4815 47.5035 0.0000 173.7066 72 P 3.7383 0.0000 0.0000 64.7879 31.0847 178.7977 73 L 4.2278 8.1747 117.9035 57.4547 41.6560 179.0459 74 K 3.9066 7.9669 119.4724 59.8290 32.1879 178.4078 75 N 4.3960 8.1217 116.3985 56.6953 38.4672 176.8806 76 C 4.6177 8.7621 117.9903 59.9504 35.6709 175.7558 77 A 4.0507 8.5412 122.8370 55.3441 17.8191 179.5024 78 F 4.0300 7.9774 117.4567 61.3069 39.5562 177.6052 79 S 4.1996 8.2760 114.7786 62.2347 62.4962 176.5634 80 Y 3.8195 8.2782 119.0013 60.4179 37.5287 178.2323 81 K 3.8536 7.9239 120.8282 59.3869 32.2519 178.8787 82 V 3.4605 7.6553 118.4667 66.0266 31.3644 177.8501 83 I 3.6328 7.6826 119.3901 64.5960 36.7677 178.4122 84 L 4.0814 7.7985 118.2849 56.9591 41.7712 178.5255 85 T 4.4111 7.8692 106.4183 61.8411 69.7285 174.0260 86 A 4.5228 7.5746 122.2065 53.6812 21.6845 178.3363 87 S 4.0957 8.5708 110.6519 61.5510 62.9332 177.2165 88 L 3.9943 8.1121 121.6921 57.3229 41.5500 177.5228 89 P 4.2104 0.0000 0.0000 65.5672 31.1943 178.2215 90 E 3.8738 8.1821 117.6710 59.3343 29.7523 178.7905 91 A 4.0130 7.9337 120.6021 55.1322 18.3663 179.7644 92 I 3.7783 8.2166 121.1918 65.0259 37.2344 178.8181 93 E 3.9700 8.7147 119.3744 61.3353 29.5422 180.9664 94 A 4.3459 8.0965 121.4940 54.2856 18.3907 179.8307 95 L 3.9745 7.6126 116.7933 58.2463 41.9031 179.3736 96 T 4.1986 7.9210 116.9799 66.4974 68.5202 176.2600 97 K 4.7822 8.1530 116.9205 53.8202 35.3802 178.2122 98 G 4.2343 7.6392 110.0507 47.1048 0.0000 176.6099 99 D 4.6753 8.7413 123.6215 50.8802 42.8895 175.1339 100 P 3.7996 0.0000 0.0000 62.8414 32.0821 180.3728 101 K 4.8908 7.1658 123.4022 59.9837 32.9550 180.8197 *102 F 4.3623 7.9638 122.2092 61.0460 37.8431 179.3662 103 A 4.1570 8.7758 121.3389 55.3919 18.2139 179.1503 104 E 3.8468 8.2121 117.2128 59.5741 29.6087 178.4811 105 D 4.4384 7.9145 118.4754 57.6041 41.0335 179.2299 106 G 3.6365 8.2818 105.9980 48.0341 0.0000 175.4860 107 M 4.2601 8.3636 122.3257 57.1589 32.0417 178.9705 108 V 3.7071 8.4210 119.2767 65.7174 31.6252 178.3725 109 G 3.5493 8.2552 105.8024 47.9359 0.0000 175.9527 110 S 4.1217 7.9009 116.9256 60.8017 62.8871 176.5144 111 S 4.2360 7.9243 116.8445 61.1432 62.1158 176.3304 112 G 3.5950 8.0124 108.4120 47.9677 0.0000 175.3873 113 D 4.2901 8.4650 121.7210 56.9032 40.9103 178.8065 114 A 3.9744 7.8802 121.2499 55.1849 18.3416 179.6838 115 Q 3.8716 7.8250 116.3724 59.1686 28.6869 178.6915 116 E 3.9363 8.2649 121.7797 58.6463 29.3268 178.0842 117 C 4.4544 7.9547 117.8436 59.6095 42.2462 174.8223 118 E 4.1841 8.0595 120.4118 59.5120 28.7363 178.3401 119 E 3.8878 8.3518 118.9147 59.9837 29.2554 179.1113 120 Y 4.2876 6.9972 115.5448 60.6002 38.1653 177.9254 121 F 4.6122 8.1991 117.5910 56.8601 39.3317 175.4335 122 K 3.9259 7.0585 119.3450 58.2521 32.1450 176.3273 123 G 3.9886 10.5170 113.9099 45.3854 0.0000 171.9086 124 S 4.5957 7.6558 112.5381 56.7437 65.7989 172.6140 125 K 4.2045 8.6543 123.0287 55.6218 31.4214 175.6324 126 S 3.6979 8.3510 121.1385 55.6312 62.6923 172.7934 127 P 4.1669 0.0000 0.0000 65.0347 31.8233 176.7370 128 F 4.8827 6.3768 114.1499 54.6669 37.9814 175.4628 129 S 4.0657 7.8779 117.8953 62.1769 62.8172 174.7286 130 A 4.0179 7.9440 122.9777 55.0428 18.1892 179.5125 131 L 4.0189 7.9085 117.1974 57.9511 41.8413 179.1399 132 N 4.7076 8.2160 117.7734 55.9807 38.5365 177.5454 133 I 3.7886 8.0765 121.0054 64.2454 37.2029 178.3554 134 A 4.0014 8.1907 121.6499 55.1891 18.3320 179.8318 135 V 3.6098 7.8366 116.6605 66.3160 31.5976 177.7551 136 H 4.1701 8.3202 117.8871 59.5007 29.7675 177.2093 137 E 3.8313 8.6367 120.7433 59.2839 29.2043 179.2976 138 L 3.9779 8.4658 119.4514 57.9763 41.5754 179.8181 139 S 4.1745 7.9913 114.6381 61.3332 62.8463 176.5400 140 D 4.2701 7.9494 121.8108 57.2462 40.6241 178.5513 141 V 3.6708 7.9079 119.0263 66.1561 31.4670 178.0142 142 G 3.7100 8.3359 105.4648 48.0099 0.0000 175.3407 143 R 3.9805 8.3018 120.9178 59.2314 29.9554 179.0409 144 A 4.0178 7.6533 118.2046 54.9864 18.5789 179.6340 145 I 3.9414 7.7593 118.4299 64.7266 37.1729 178.7350 146 V 3.6110 7.8337 119.0150 66.0383 31.0988 177.7342 147 R 4.0415 8.0159 116.8689 58.3749 29.9266 177.8952 148 N 4.4848 7.8559 115.9939 56.5121 38.6390 175.9878 149 L 4.1030 7.5800 119.2554 58.4747 41.9885 177.3991 150 L 4.0926 7.6332 120.5074 54.6993 41.2722 177.0677 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 N 8.28 4.71 0.00 2.77 2.93 0.00 0.00 6.64 6.03 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 5 N 8.10 4.07 0.00 2.84 2.82 0.00 0.00 6.67 5.78 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 6 L 8.09 3.99 0.00 1.80 1.65 0.93 0.85 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 7 V 7.69 3.52 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 1.02 0.00 0.00 0.93 0.00 0.00 8 E 8.12 3.99 0.00 2.17 2.23 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 2.41 2.62 0.00 9 T 7.60 3.90 4.27 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 1.23 0.00 0.00 10 T 8.22 4.05 4.41 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 1.22 0.00 0.00 11 C 8.56 4.46 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.44 4.13 0.00 1.97 1.88 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.85 1.60 7.81 13 N 7.77 4.96 0.00 2.87 2.84 0.00 0.00 6.76 7.42 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 14 T 7.07 4.76 4.26 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 1.27 0.00 0.00 15 P 0.00 4.52 0.00 2.21 2.21 0.00 3.78 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 1.98 1.95 0.00 16 N 7.77 4.95 0.00 2.83 2.67 0.00 0.00 6.76 7.44 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 17 Y 8.50 4.33 0.00 3.11 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 18 Q 8.11 3.92 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 19 L 8.00 3.99 0.00 1.80 1.68 0.91 1.22 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 20 C 8.29 4.14 0.00 3.02 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 21 L 7.47 3.76 0.00 1.52 1.50 0.61 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.74 3.87 0.00 1.72 1.94 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 23 T 7.82 3.99 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 1.19 0.00 0.00 24 L 8.18 3.99 0.00 1.60 1.68 0.88 0.53 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 25 L 7.97 4.17 0.00 1.64 1.70 0.89 1.12 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 26 S 7.59 4.46 0.00 3.95 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 27 D 7.56 4.87 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.64 4.06 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 29 R 8.83 4.19 0.00 1.94 1.99 0.00 3.08 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 30 S 7.74 4.31 0.00 3.99 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 31 A 7.38 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 32 T 8.12 4.21 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 33 G 7.51 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.51 4.65 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.16 3.77 1.87 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 1.64 1.32 0.91 0.00 0.00 36 T 7.43 3.93 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 T 8.01 3.89 4.41 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 1.21 0.00 0.00 38 L 7.93 3.95 0.00 1.83 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.10 3.97 1.38 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 0.00 0.00 40 L 7.93 3.96 0.00 1.87 1.72 0.92 0.88 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 41 I 7.98 3.67 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 1.56 0.94 0.00 0.00 42 M 7.96 3.96 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 43 V 7.91 3.57 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 0.98 0.00 0.00 1.01 0.00 0.00 44 D 8.39 4.38 0.00 2.98 2.71 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 0.00 0.00 0.00 0.00 45 A 7.74 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.69 2.02 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 1.42 0.79 0.94 0.00 0.00 47 K 8.25 3.91 0.00 1.93 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 48 A 7.90 3.97 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 49 K 7.94 3.95 0.00 1.92 1.90 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.62 7.81 50 A 8.41 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 51 N 8.51 4.27 0.00 3.00 2.85 0.00 0.00 6.78 8.11 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 52 Q 7.93 3.93 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 53 A 7.95 3.37 0.46 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 54 A 7.71 3.72 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 55 V 7.35 3.47 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 0.95 0.00 0.00 0.93 0.00 0.00 56 T 7.58 3.74 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 0.96 0.00 0.00 57 I 7.46 3.58 1.86 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 1.24 0.03 0.98 0.00 0.00 58 S 7.72 4.09 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 59 K 7.81 3.95 0.00 1.95 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 60 L 8.03 4.29 0.00 1.97 1.93 0.95 1.00 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 61 R 8.36 4.23 0.00 1.92 2.06 0.00 3.38 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 62 H 7.86 4.83 0.00 3.08 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.56 4.70 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.24 4.13 0.00 2.82 2.83 0.00 0.00 7.28 7.69 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 65 P 0.00 4.60 0.00 2.42 2.46 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 66 P 0.00 4.16 0.00 1.71 1.68 0.00 3.46 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 0.73 1.59 0.00 67 A 8.64 4.02 1.30 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 0.00 0.00 68 A 7.95 4.12 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 69 W 8.25 5.03 0.00 3.67 3.40 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 70 K 7.98 4.18 0.00 1.94 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 71 G 7.97 3.44 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 0.00 72 P 0.00 3.74 0.00 1.27 1.01 0.00 3.71 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 2.04 1.92 0.00 73 L 8.17 4.23 0.00 1.87 1.86 1.23 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.97 3.91 0.00 2.00 1.92 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 75 N 8.12 4.40 0.00 2.29 2.55 0.00 0.00 7.15 7.24 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 76 C 8.76 4.62 0.00 3.42 3.60 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 77 A 8.54 4.05 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.98 4.03 0.00 3.26 3.20 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 79 S 8.28 4.20 0.00 4.18 3.81 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 80 Y 8.28 3.82 0.00 3.19 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 81 K 7.92 3.85 0.00 1.70 1.56 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.04 1.27 7.81 82 V 7.66 3.46 2.18 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 0.97 0.00 0.00 0.90 0.00 0.00 83 I 7.68 3.63 1.92 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.40 0.91 0.00 0.00 84 L 7.80 4.08 0.00 1.75 1.73 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.87 4.41 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 86 A 7.57 4.52 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 87 S 8.57 4.10 0.00 4.01 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 88 L 8.11 3.99 0.00 1.68 1.70 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.21 0.00 2.14 2.10 0.00 3.62 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 2.16 2.19 0.00 90 E 8.18 3.87 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 91 A 7.93 4.01 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 92 I 8.22 3.78 2.02 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 1.38 0.88 0.91 0.00 0.00 93 E 8.71 3.97 0.00 1.92 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 2.25 2.22 0.00 94 A 8.10 4.35 1.38 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 0.00 0.00 95 L 7.61 3.97 0.00 1.67 1.73 0.96 0.67 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 96 T 7.92 4.20 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 1.21 0.00 0.00 97 K 8.15 4.78 0.00 1.72 1.60 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.23 7.81 98 G 7.64 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 0.00 0.00 0.00 0.00 99 D 8.74 4.68 0.00 2.55 2.47 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 0.00 100 P 0.00 3.80 0.00 2.18 2.04 0.00 3.59 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 2.09 2.20 0.00 101 K 7.17 4.89 0.00 1.79 1.77 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.13 7.81 *102 F 7.96 4.36 0.00 2.23 2.32 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 0.00 103 A 8.78 4.16 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 0.00 104 E 8.21 3.85 0.00 2.09 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 2.38 2.47 0.00 105 D 7.91 4.44 0.00 2.99 2.71 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 0.00 0.00 0.00 0.00 106 G 8.28 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.36 4.26 0.00 2.24 2.21 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 2.61 2.67 0.00 108 V 8.42 3.71 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 1.01 0.00 0.00 0.94 0.00 0.00 109 G 8.26 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 0.00 110 S 7.90 4.12 0.00 4.05 4.11 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 0.00 0.00 0.00 111 S 7.92 4.24 0.00 3.96 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 0.00 112 G 8.01 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.47 4.29 0.00 2.54 2.55 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 0.00 114 A 7.88 3.97 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.83 3.87 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 116 E 8.26 3.94 0.00 1.89 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 1.65 0.00 117 C 7.95 4.45 0.00 3.24 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 0.00 118 E 8.06 4.18 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 119 E 8.35 3.89 0.00 1.96 1.79 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 2.25 2.40 0.00 120 Y 7.00 4.29 0.00 2.62 2.61 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 0.00 121 F 8.20 4.61 0.00 3.13 2.98 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 0.00 122 K 7.06 3.93 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 123 G 10.52 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 0.00 124 S 7.66 4.60 0.00 3.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.65 4.20 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.63 7.81 126 S 8.35 3.70 0.00 3.75 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 0.00 127 P 0.00 4.17 0.00 1.79 0.55 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.44 0.00 128 F 6.38 4.88 0.00 3.23 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 0.00 129 S 7.88 4.07 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 0.00 130 A 7.94 4.02 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 0.00 131 L 7.91 4.02 0.00 2.01 1.76 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.22 4.71 0.00 2.84 3.10 0.00 0.00 6.61 7.49 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 0.00 133 I 8.08 3.79 1.95 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 1.48 0.68 0.97 0.00 0.00 134 A 8.19 4.00 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 0.00 135 V 7.84 3.61 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 1.07 0.00 0.00 1.21 0.00 0.00 136 H 8.32 4.17 0.00 3.33 3.58 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.64 3.83 0.00 2.07 1.95 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 2.26 2.47 0.00 138 L 8.47 3.98 0.00 1.70 1.72 0.99 0.90 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 0.00 139 S 7.99 4.17 0.00 4.08 4.11 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 0.00 0.00 0.00 140 D 7.95 4.27 0.00 2.91 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 0.00 141 V 7.91 3.67 2.18 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 0.99 0.00 0.00 0.92 0.00 0.00 142 G 8.34 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.30 3.98 0.00 2.07 2.07 0.00 3.28 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 144 A 7.65 4.02 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 0.00 145 I 7.76 3.94 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 1.41 0.75 0.91 0.00 0.00 146 V 7.83 3.61 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 1.02 0.00 0.00 0.93 0.00 0.00 147 R 8.02 4.04 0.00 2.07 2.05 0.00 3.32 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 148 N 7.86 4.48 0.00 2.89 2.87 0.00 0.00 6.96 8.01 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 0.00 149 L 7.58 4.10 0.00 1.83 1.75 0.92 1.00 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 0.00 150 L 7.63 4.09 0.00 1.64 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.