NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2612 8.1749 115.2464 61.7940 68.5268 172.9508 3 I 4.0829 8.1141 128.4335 60.1391 38.2274 173.7026 4 H 4.9044 9.5194 122.7389 53.7978 32.4765 172.9091 5 K 4.8886 8.5896 122.5179 54.4353 35.5999 175.4774 6 K 4.7292 9.1359 122.0354 54.6044 35.1622 175.4782 7 G 4.6667 8.5853 109.7155 44.7831 0.0000 171.1377 8 Q 4.8976 9.1247 117.6502 55.1053 32.5537 173.0443 9 A 5.2072 8.3266 119.8143 51.1325 22.5934 174.9297 10 H 5.1136 9.7353 118.7293 54.4176 33.6323 172.1080 11 W 5.5308 8.3904 132.8291 55.9845 34.2809 173.5254 12 E 4.6035 7.6354 122.2272 56.0490 32.8220 176.5473 13 S 4.2116 8.7796 117.1790 57.3656 62.1539 168.5490 14 D 4.8437 8.1846 118.8282 52.7957 40.7085 176.2177 15 I 4.1012 8.4022 120.4593 64.2630 38.3887 178.0387 *16 K 4.1475 8.4616 123.2919 57.4611 31.8859 182.5840 *17 R 4.4691 9.4531 115.9675 55.6426 29.9143 178.0438 18 G 4.5679 8.0851 104.7835 45.6878 0.0000 172.7634 19 K 3.8143 7.4679 117.7268 55.4424 36.7463 174.9265 20 G 4.2553 7.6726 106.7393 45.6273 0.0000 171.3108 21 T 5.7463 9.3817 108.9731 60.2353 72.7649 173.3505 22 V 4.9939 8.9942 121.4733 60.3454 34.9825 174.5796 23 S 5.2578 9.4393 118.4804 57.2761 68.1221 172.6978 24 T 5.0331 8.7589 110.5965 59.7015 71.6571 174.8812 25 E 4.1575 8.8592 121.4985 59.4633 29.5747 178.6498 26 S 4.1373 8.1752 114.0357 59.5515 63.4044 175.1563 27 G 4.0181 7.8814 108.5771 45.0207 0.0000 174.7973 28 V 3.6958 7.3718 112.3384 63.3878 31.8782 176.3067 29 L 4.6254 7.8135 119.7976 52.7536 43.7013 175.0293 30 N 4.9336 8.2823 121.6772 52.2421 40.0322 173.6301 31 Q 3.4140 9.1802 128.6371 56.6447 27.1528 174.6988 32 Q 4.2570 8.3230 119.3546 55.0818 30.3260 174.0167 33 P 5.0860 0.0000 0.0000 63.6205 32.2768 175.0122 34 Y 4.7973 8.2387 119.3000 56.8117 41.9590 174.4441 35 G 4.3491 8.2771 106.6556 44.7375 0.0000 173.3863 36 F 4.3426 8.9786 120.1975 61.3667 39.2357 177.3746 37 N 4.3716 8.4593 116.4079 56.5905 36.8106 177.1221 38 T 4.5902 7.8075 111.7879 62.9027 69.1807 175.9548 39 R 3.8496 7.7949 120.8294 58.0498 30.4298 177.3287 40 F 4.5303 7.9046 114.8895 57.1065 40.5058 176.1266 41 E 4.3807 7.8134 115.8258 55.4975 29.6736 176.4827 42 G 3.8619 8.0854 105.9430 45.7735 0.0000 173.6091 43 E 4.0375 7.9326 121.6817 54.9945 30.1672 176.1611 44 K 4.0811 8.8079 127.2293 55.5634 32.5500 176.2008 45 G 4.1551 8.0422 116.0510 45.1719 0.0000 171.2814 46 T 4.6099 8.1413 114.3980 61.2683 68.1918 173.0773 47 N 4.5341 7.9884 119.4168 50.4092 40.5568 173.4715 48 P 4.1401 0.0000 0.0000 65.8473 31.3930 178.6399 49 E 3.9195 8.0650 116.9232 59.5449 29.5880 179.2637 50 E 4.0056 8.8613 117.7052 59.1967 29.6189 179.1409 51 L 4.0140 7.6537 120.3798 57.6368 41.5575 179.4123 52 I 3.8438 8.0396 120.1378 64.0709 36.9469 178.6716 53 G 3.5862 8.2549 106.4552 47.8132 0.0000 175.5702 54 A 4.0135 8.2858 123.6283 54.6867 18.3240 179.5836 55 A 3.9453 8.0207 119.3003 55.5364 18.3904 179.4005 56 H 4.1834 8.5711 116.7679 59.4274 30.0156 177.3022 57 A 4.0326 8.4729 122.8184 55.0715 17.9504 179.5603 58 A 3.9441 7.9819 118.2973 55.3776 18.6082 179.1035 59 C 4.1907 8.2424 116.2121 62.6349 31.9246 175.0445 60 F 4.3649 8.5332 122.4066 61.4815 38.9464 178.1027 61 S 4.1248 8.0725 111.0358 59.1709 61.9471 175.9525 *63 A 4.1765 7.9594 127.1059 52.1545 20.2990 179.7343 64 L 3.5241 7.6565 116.8073 58.1096 42.5361 178.1954 65 S 4.1681 7.9837 113.2333 61.3231 62.5872 176.2178 66 L 3.8266 7.3823 117.8558 55.9853 41.4120 178.1599 *68 L 4.3942 8.0580 119.3549 54.3919 43.7254 179.4284 69 G 3.8049 8.1383 107.5396 47.9943 0.0000 175.5655 70 E 3.8607 8.1440 118.8284 58.9500 29.4744 177.9698 71 A 4.2042 7.9062 118.9378 52.7562 18.9369 177.5516 72 G 3.7041 8.4765 104.2461 45.6562 0.0000 173.4877 73 F 4.8759 8.8389 119.6839 55.9871 42.0420 175.4225 *74 T 4.7050 8.4392 115.0820 58.0802 70.8757 172.6363 75 P 4.6834 0.0000 0.0000 61.9031 32.3356 176.6264 76 T 4.2406 8.8435 120.4298 66.5053 68.8728 174.9863 77 S 4.7361 7.6968 113.4633 57.2954 66.4052 173.4749 78 I 4.9787 8.2733 121.6397 59.9093 40.6288 174.2922 79 D 4.9296 9.3203 126.9336 52.9133 43.7501 175.0175 80 T 5.2482 8.7066 119.7902 61.9561 71.9172 173.7392 81 T 4.7289 9.1467 121.4529 61.6105 72.1434 172.8275 82 A 4.8898 8.6116 126.9101 50.2508 21.3233 175.1301 83 D 4.6162 9.1942 124.1693 53.1964 42.5145 175.3002 84 V 4.5358 8.2800 126.7535 61.9555 32.9881 174.9801 85 S 4.7096 9.1692 124.7588 56.9288 64.8448 172.8254 86 L 4.9428 8.6286 126.9547 53.7064 43.4743 174.9080 87 D 5.1850 9.0139 126.6709 52.3415 44.0508 175.6793 88 K 3.9933 8.5530 122.6380 55.9541 33.3056 176.2445 89 V 4.5216 8.4540 119.8828 59.1800 35.5955 176.1822 90 D 4.2438 8.7926 119.4390 57.8758 40.4692 178.4137 91 A 4.2132 7.8410 119.0842 53.0809 20.6316 176.6290 92 G 4.1694 6.7606 107.4056 44.6832 0.0000 175.0490 93 F 5.2871 8.9204 114.9045 55.8394 43.7892 173.5665 94 A 4.7498 8.8169 122.8686 50.8666 23.0588 176.0526 95 I 4.5896 8.4270 121.8681 60.9923 36.8445 175.6958 96 T 4.3169 8.5953 118.7152 63.3233 70.5238 174.6509 97 K 5.0657 7.6542 121.0069 55.3672 36.0928 174.4053 98 I 5.0254 9.0654 125.6865 59.5992 41.0040 174.1983 99 A 4.8173 8.9918 130.3158 49.7230 20.6319 175.4770 100 L 4.8229 8.5272 123.3263 53.7386 43.9145 176.0472 101 K 5.0876 8.9599 124.3854 54.7588 35.3066 174.7468 102 S 5.3328 9.2376 121.5593 56.5695 66.5137 172.2472 103 E 5.1845 9.3593 125.4303 54.6936 32.0356 175.1085 104 V 4.9150 8.8505 124.3262 60.8531 35.2311 173.9802 105 A 5.0716 8.9285 128.9399 50.2020 21.5342 175.4867 106 V 4.4007 8.5139 122.6161 60.5455 34.3942 172.9646 107 P 4.1044 0.0000 0.0000 63.9673 31.4628 176.9660 108 G 3.9237 8.8373 110.3740 45.9834 0.0000 173.0700 109 I 3.9115 7.3540 118.8940 59.7977 38.9096 175.5569 110 D 4.4557 8.4465 125.4686 53.8480 42.7691 176.8388 111 A 4.0654 8.6867 128.7572 55.5422 18.5790 179.8361 112 S 4.0927 8.1392 110.9136 61.8627 62.6903 176.2294 113 T 3.8823 8.5817 118.8278 66.6015 68.1651 176.3083 114 F 3.9575 8.5912 122.9123 61.3104 39.4330 176.5021 115 D 4.3060 8.3970 117.7724 57.2779 40.9469 178.5575 116 G 3.5646 7.8880 105.6119 47.7617 0.0000 175.7444 117 I 3.5337 7.3080 121.9434 64.1232 37.1436 178.5099 118 I 3.4084 7.3152 119.7016 63.9043 37.7142 177.9497 119 Q 3.9950 8.0147 119.1295 58.7666 28.4831 178.7609 120 K 3.9755 8.0132 119.4259 59.3823 32.1743 179.3101 121 A 3.9882 7.9911 121.1417 54.8348 18.0188 179.6230 122 K 4.1363 8.3644 117.4976 59.2820 32.3836 178.2342 123 A 4.5070 8.0008 119.1363 53.0360 19.3793 178.5180 124 G 3.8781 8.0529 102.7349 44.5422 0.0000 174.2242 125 C 4.3778 7.5025 116.3355 57.3379 30.7802 172.6898 126 P 4.2006 0.0000 0.0000 66.2301 30.6745 179.0987 127 V 3.5728 7.6916 114.6336 66.0043 31.6572 177.7012 128 S 4.1909 8.0241 114.4496 61.7897 62.5555 176.5409 129 Q 4.0164 8.1389 119.8900 58.6245 28.4996 178.6821 130 V 3.8459 7.5710 118.3277 62.1504 32.2691 176.2151 131 L 4.4581 6.9698 119.9880 53.7650 42.5487 176.7884 132 K 4.2387 8.4383 120.5342 57.0115 32.9071 177.0734 133 A 4.2566 7.6388 120.5198 51.3427 19.4336 176.9754 134 E 4.0525 8.9426 121.7689 56.4638 30.9665 175.7230 135 I 5.1361 8.3864 127.0985 59.7606 39.6515 174.9119 136 T 4.7243 8.5522 116.9176 59.8005 72.1866 172.9264 137 L 5.0243 8.2302 123.2051 53.6429 45.3892 175.0190 138 D 5.0741 9.1564 125.4403 52.7563 44.5729 174.3205 139 Y 6.0121 8.1907 119.8531 54.6708 42.2307 174.2956 140 Q 4.4933 8.7480 117.2633 54.1310 32.6667 173.9366 141 L 4.9403 8.7467 126.1802 53.3555 44.0645 175.4395 142 K 4.5847 9.0005 126.5656 54.6256 34.1993 176.7619 143 S 4.5760 8.2021 118.4818 57.3413 63.1354 173.8478 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 2 T 8.17 4.26 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 1.30 0.00 0.00 3 I 8.11 4.08 1.85 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 0.79 0.91 0.00 0.00 4 H 9.52 4.90 0.00 3.06 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.59 4.89 0.00 1.69 1.66 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 6 K 9.14 4.73 0.00 1.82 1.67 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.37 7.81 7 G 8.59 4.67 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 8 Q 9.12 4.90 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 9 A 8.33 5.21 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 10 H 9.74 5.11 0.00 3.28 3.20 0.00 5.76 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 11 W 8.39 5.53 0.00 3.50 2.87 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 12 E 7.64 4.60 0.00 1.98 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 2.05 2.04 0.00 13 S 8.78 4.21 0.00 3.99 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 14 D 8.18 4.84 0.00 2.98 2.87 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 15 I 8.40 4.10 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.80 0.00 0.00 *16 K 8.46 4.15 0.00 1.81 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.00 7.81 *17 R 9.45 4.47 0.00 1.66 1.84 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 18 G 8.09 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.47 3.81 0.00 1.46 1.54 0.00 1.15 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.98 1.09 7.81 20 G 7.67 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 0.00 0.00 0.00 0.00 21 T 9.38 5.75 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 1.28 0.00 0.00 22 V 8.99 4.99 1.68 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 0.78 0.00 0.00 0.86 0.00 0.00 23 S 9.44 5.26 0.00 3.70 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 24 T 8.76 5.03 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 1.20 0.00 0.00 25 E 8.86 4.16 0.00 2.02 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 2.31 2.27 0.00 26 S 8.18 4.14 0.00 4.00 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 27 G 7.88 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 0.00 0.00 0.00 28 V 7.37 3.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 29 L 7.81 4.63 0.00 1.70 1.69 0.89 0.35 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 30 N 8.28 4.93 0.00 2.60 2.69 0.00 0.00 7.34 7.08 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 31 Q 9.18 3.41 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 32 Q 8.32 4.26 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 33 P 0.00 5.09 0.00 2.00 1.98 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 34 Y 8.24 4.80 0.00 3.21 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 35 G 8.28 4.35 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 0.00 36 F 8.98 4.34 0.00 3.46 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 37 N 8.46 4.37 0.00 3.17 3.18 0.00 0.00 6.00 7.22 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 38 T 7.81 4.59 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 39 R 7.79 3.85 0.00 1.68 1.45 0.00 3.05 0.00 0.00 2.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 40 F 7.90 4.53 0.00 1.75 2.45 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 41 E 7.81 4.38 0.00 2.16 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 2.22 2.42 0.00 42 G 8.09 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 0.00 0.00 0.00 43 E 7.93 4.04 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 44 K 8.81 4.08 0.00 1.75 1.73 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 G 8.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.14 4.61 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 1.28 0.00 0.00 47 N 7.99 4.53 0.00 2.86 2.80 0.00 0.00 5.91 7.76 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 48 P 0.00 4.14 0.00 2.09 2.07 0.00 3.50 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 49 E 8.06 3.92 0.00 2.13 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 2.29 2.37 0.00 50 E 8.86 4.01 0.00 2.14 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 2.49 2.31 0.00 51 L 7.65 4.01 0.00 1.77 1.71 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.04 3.84 1.98 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 1.43 0.77 0.90 0.00 0.00 53 G 8.25 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 54 A 8.29 4.01 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 55 A 8.02 3.95 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 56 H 8.57 4.18 0.00 3.34 3.40 0.00 5.62 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 57 A 8.47 4.03 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 58 A 7.98 3.94 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 59 C 8.24 4.19 0.00 3.05 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 60 F 8.53 4.36 0.00 3.18 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 61 S 8.07 4.12 0.00 3.93 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 *63 A 7.96 4.18 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 64 L 7.66 3.52 0.00 0.89 1.48 0.60 1.06 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 65 S 7.98 4.17 0.00 3.89 3.80 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 66 L 7.38 3.83 0.00 1.67 1.74 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *68 L 8.06 4.39 0.00 2.00 2.00 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.14 3.80 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 0.00 0.00 0.00 70 E 8.14 3.86 0.00 2.00 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 0.00 2.34 2.51 0.00 71 A 7.91 4.20 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 72 G 8.48 3.70 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 0.00 0.00 0.00 73 F 8.84 4.88 0.00 3.19 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 *74 T 8.44 4.71 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 75 P 0.00 4.68 0.00 2.19 2.12 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 76 T 8.84 4.24 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 77 S 7.70 4.74 0.00 3.86 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 78 I 8.27 4.98 1.87 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 1.37 0.68 0.93 0.00 0.00 79 D 9.32 4.93 0.00 2.58 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 80 T 8.71 5.25 4.38 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 1.26 0.00 0.00 81 T 9.15 4.73 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 1.20 0.00 0.00 82 A 8.61 4.89 1.19 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 0.00 0.00 83 D 9.19 4.62 0.00 2.67 2.64 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 84 V 8.28 4.54 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 0.83 0.00 0.00 1.01 0.00 0.00 85 S 9.17 4.71 0.00 3.88 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 86 L 8.63 4.94 0.00 1.55 1.52 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.01 5.19 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.55 3.99 0.00 1.53 1.59 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.64 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.18 1.22 7.81 89 V 8.45 4.52 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 0.79 0.00 0.00 0.94 0.00 0.00 90 D 8.79 4.24 0.00 2.63 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 91 A 7.84 4.21 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 6.76 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 93 F 8.92 5.29 0.00 3.10 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 94 A 8.82 4.75 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 95 I 8.43 4.59 1.88 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 0.62 0.96 0.00 0.00 96 T 8.60 4.32 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 97 K 7.65 5.07 0.00 1.82 1.63 0.00 1.65 0.00 0.00 2.03 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.69 7.81 98 I 9.07 5.03 1.91 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 1.17 0.55 0.91 0.00 0.00 99 A 8.99 4.82 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 0.00 100 L 8.53 4.82 0.00 1.42 1.16 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.96 5.09 0.00 1.77 1.60 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 102 S 9.24 5.33 0.00 4.11 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 0.00 103 E 9.36 5.18 0.00 1.95 1.86 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 2.25 2.26 0.00 104 V 8.85 4.92 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.13 0.00 0.00 105 A 8.93 5.07 1.19 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 0.00 0.00 106 V 8.51 4.40 1.82 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 0.92 0.00 0.00 0.90 0.00 0.00 107 P 0.00 4.10 0.00 2.10 2.01 0.00 3.87 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 2.04 2.09 0.00 108 G 8.84 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 0.00 109 I 7.35 3.91 1.38 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.02 0.69 0.00 0.00 110 D 8.45 4.46 0.00 2.87 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 0.00 111 A 8.69 4.07 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 0.00 112 S 8.14 4.09 0.00 3.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.58 3.88 4.38 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 1.26 0.00 0.00 114 F 8.59 3.96 0.00 3.02 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 0.00 115 D 8.40 4.31 0.00 3.04 2.86 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 0.00 116 G 7.89 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 0.00 117 I 7.31 3.53 1.65 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 1.35 0.95 0.74 0.00 0.00 118 I 7.32 3.41 0.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 0.20 0.00 0.00 119 Q 8.01 3.99 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 120 K 8.01 3.98 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 121 A 7.99 3.99 1.17 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 0.00 122 K 8.36 4.14 0.00 1.99 2.05 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.23 7.81 123 A 8.00 4.51 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 0.00 124 G 8.05 3.88 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 0.00 0.00 0.00 125 C 7.50 4.38 0.00 3.20 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 0.00 126 P 0.00 4.20 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 127 V 7.69 3.57 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 0.74 0.00 0.00 0.94 0.00 0.00 128 S 8.02 4.19 0.00 4.11 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 0.00 129 Q 8.14 4.02 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 130 V 7.57 3.85 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 0.81 0.00 0.00 0.92 0.00 0.00 131 L 6.97 4.46 0.00 1.58 1.60 0.76 0.81 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 0.00 132 K 8.44 4.24 0.00 1.74 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 133 A 7.64 4.26 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.94 4.05 0.00 2.08 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 2.30 2.29 0.00 135 I 8.39 5.14 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.02 0.88 0.00 0.00 136 T 8.55 4.72 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 1.20 0.00 0.00 137 L 8.23 5.02 0.00 1.48 1.53 0.78 1.15 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 0.00 138 D 9.16 5.07 0.00 2.60 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 0.00 139 Y 8.19 6.01 0.00 3.16 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 0.00 140 Q 8.75 4.49 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 141 L 8.75 4.94 0.00 1.53 1.55 -0.27 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 142 K 9.00 4.58 0.00 1.63 1.66 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.32 7.81 143 S 8.20 4.58 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.