NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.6382 0.0000 0.0000 62.7722 32.8130 175.2665 9 V 4.2277 8.3351 116.3183 58.8654 33.9814 171.2567 10 E 5.2589 8.5909 125.3498 54.3116 32.6291 174.9883 11 V 4.7178 9.0320 125.9031 60.1577 34.6863 174.4520 12 T 5.0507 8.7112 114.0921 60.2363 71.6789 172.8461 13 Y 4.8521 8.6855 123.3447 57.7233 42.7525 174.6584 14 K 3.1547 7.7274 126.4008 57.9688 31.1087 178.1744 15 N 4.3920 8.4506 120.0037 52.4101 36.3410 174.9281 *17 R 4.0858 7.4618 119.0781 56.8524 32.1381 174.7333 18 F 5.6232 9.5390 124.7227 55.6228 43.1879 174.2122 19 L 4.9013 9.0729 123.6491 53.5353 44.5969 175.6103 20 I 4.6258 8.8587 129.6399 60.8147 38.0839 175.1480 21 T 4.8634 8.3646 122.6421 60.6293 70.1491 172.8303 22 H 4.7432 8.6552 118.8574 53.7889 30.5709 174.6001 23 N 3.9800 8.3626 120.6758 52.6862 39.1045 173.3526 24 P 4.2247 0.0000 0.0000 62.2049 32.5997 175.2030 25 T 4.4141 7.6884 108.5205 59.8236 70.3141 175.3718 26 N 4.4720 8.7699 119.0427 54.8899 38.9783 174.6306 27 A 4.5400 8.3535 120.8812 54.1741 21.0903 178.4186 28 T 4.3748 7.8876 104.5530 62.1595 68.7365 176.3300 29 L 3.9031 7.5415 125.9144 58.6822 42.0566 178.7533 30 N 4.3778 8.1126 115.9712 56.3409 38.5785 177.4227 31 K 4.0623 8.0198 119.4528 59.0528 32.2390 178.9804 32 F 4.2336 8.2437 121.0860 61.4318 39.3129 177.2146 33 I 3.5447 8.1649 119.6429 64.3003 36.9628 177.7751 34 E 3.8942 8.1325 120.0472 59.5286 29.4023 178.8722 35 E 3.8929 8.1816 118.1855 59.3322 29.5766 179.0622 36 L 4.0000 7.6858 118.9701 58.0181 41.7267 179.7325 37 K 3.9290 8.0836 118.0484 59.6518 31.7719 179.5745 38 K 3.9942 7.5767 117.0131 59.2315 32.0137 178.2543 39 Y 4.4124 7.8093 114.8050 57.8328 38.2621 176.0601 40 G 3.9246 8.0759 108.7105 46.2782 0.0000 173.7156 41 V 4.8673 8.0197 112.5674 60.7036 32.2639 176.2912 42 T 4.6919 8.4153 111.8012 61.6510 70.5940 173.2260 43 T 5.2443 7.6673 118.4115 62.4718 73.4554 172.5182 44 I 5.0038 8.9556 126.0565 59.4767 41.2090 174.4822 45 V 4.3548 8.9148 127.0535 61.1600 33.9248 174.4005 46 R 4.5644 8.8395 128.4750 55.1673 31.3597 177.3233 47 V 4.5069 8.2083 116.8342 61.0412 32.7040 174.9429 48 C 5.1392 7.3635 118.5481 55.4061 43.7390 173.1172 49 E 3.8242 8.9837 121.3213 57.5351 29.6584 177.5306 50 A 4.3103 8.3547 128.4836 51.2800 18.7428 176.8512 51 T 4.4807 8.2442 111.3878 62.2037 69.8451 174.0262 52 Y 4.8890 6.8759 118.9868 54.9377 41.1968 174.2036 53 D 4.4831 8.9367 121.1487 54.5554 42.0183 176.7367 54 T 4.5372 8.4356 115.9680 62.0692 69.4456 176.5085 55 T 3.8600 7.8201 114.4501 65.5086 68.5706 175.9091 56 L 4.0170 7.9404 122.8996 57.3006 42.1802 178.9598 57 V 3.6397 7.7002 117.9274 66.1677 31.8201 177.8045 58 E 4.6803 8.8408 119.9568 58.7385 28.9927 179.2800 59 K 4.0385 7.9190 119.2049 59.3448 32.3409 177.9204 60 E 4.3792 7.7006 115.2832 56.3916 29.3085 177.3665 61 G 3.8345 7.9115 107.1003 45.5147 0.0000 173.2722 62 I 4.5260 7.6567 121.0580 59.4497 39.2124 174.3843 63 H 5.5352 8.8907 128.3595 55.0848 31.0878 173.8860 64 V 4.6793 8.6702 126.1398 61.1724 33.1946 174.6117 65 L 4.4612 8.9569 128.0090 52.9353 44.3267 175.2643 66 D 4.9916 8.6359 123.8190 52.6182 41.6721 176.2067 67 W 5.2902 8.5301 125.5367 53.9836 29.1236 172.9472 68 P 5.1788 0.0000 0.0000 62.4389 32.1360 177.1346 69 F 4.7304 7.6613 115.9290 55.9812 40.3244 173.6087 *72 G 3.9487 8.6060 107.0428 45.7386 0.0000 173.3919 73 A 4.1966 7.8531 121.8579 50.8364 19.1396 175.3599 74 P 3.4564 0.0000 0.0000 61.2020 32.0450 174.7935 75 P 3.8391 0.0000 0.0000 62.3149 31.8628 177.3672 76 S 4.2698 8.2935 117.3222 58.2213 65.0296 175.1091 77 N 4.3243 8.6384 120.2295 56.6452 38.1666 177.4634 78 Q 3.8882 7.9234 120.5076 59.0608 29.1620 178.0963 79 I 3.3157 7.3792 121.0275 64.1325 37.0404 178.5062 80 V 3.7076 7.7162 119.0546 66.1992 31.4063 177.7907 81 D 4.4022 8.2542 118.5876 57.5973 40.6882 178.5945 82 D 4.3073 8.1893 119.5580 56.8489 40.5844 178.6440 83 W 4.8738 8.6005 129.3158 60.9125 30.8576 178.1421 84 L 3.9108 8.5364 119.2102 57.8373 41.0117 179.7717 85 S 4.1635 8.3163 115.3651 61.1905 62.6464 176.4391 86 L 3.9416 8.0972 123.2045 58.0566 41.7689 179.0581 87 V 3.3529 7.6227 118.3667 65.7962 30.7068 177.7318 88 K 3.8527 8.0325 119.1849 59.6180 32.0708 178.5926 89 I 3.8078 7.7480 118.6525 63.9132 37.9184 177.9121 90 K 3.7839 7.9982 119.4927 59.5257 31.7033 179.2029 91 F 4.5456 7.3868 115.3847 59.3204 38.8700 177.0461 92 R 4.3747 7.1880 117.5431 58.1101 30.8979 177.8521 93 E 4.2300 8.5739 118.3687 57.5639 31.1384 176.5384 94 E 4.6280 8.3832 118.6045 52.7986 29.8993 172.1430 95 P 4.5764 0.0000 0.0000 64.2122 32.1420 177.1940 96 G 3.9350 9.0838 110.7299 45.4774 0.0000 172.9907 97 C 4.6637 7.7580 114.8283 57.5214 31.2982 172.0125 98 C 5.2456 8.6121 118.3302 57.9424 35.1151 172.5557 99 I 4.9487 8.6321 124.9769 59.6197 39.4082 174.4413 100 A 5.3060 9.0664 129.1442 50.5749 21.5977 175.8631 101 V 5.0596 8.8685 120.3369 61.5791 35.4040 174.0373 102 H 5.1411 8.8407 120.9944 53.7822 32.1914 173.3635 103 C 4.8794 8.7865 118.4047 56.9153 42.7365 175.6522 104 V 4.0633 8.5290 113.4661 61.8611 32.7017 175.3893 105 A 4.2554 7.5802 122.2083 51.1030 19.4196 175.8489 106 G 3.8598 8.4838 108.9301 44.7857 0.0000 171.1442 107 L 3.9115 8.4824 117.4619 57.8782 42.5177 178.9404 108 G 3.7290 7.3856 105.0964 47.2603 0.0000 175.2453 109 R 4.3668 8.3938 123.6821 56.0045 31.0742 177.5753 110 A 3.9583 7.7697 120.9873 54.8123 18.2398 177.6781 111 P 4.2420 0.0000 0.0000 64.2080 31.4392 178.7483 112 V 3.8459 7.7621 118.2169 66.2368 31.5334 177.7875 113 L 3.5665 7.7611 118.0641 57.6251 41.2851 179.6126 114 V 3.2870 7.0358 117.0873 65.7706 31.3403 177.9105 115 A 4.0909 8.1970 120.5989 55.2720 18.2466 179.5938 116 L 3.7881 7.9474 117.2171 57.8231 41.6910 179.6748 117 A 4.3367 8.2787 120.9212 55.1154 18.1449 179.7223 118 L 4.0840 7.9000 116.8518 57.9837 41.9297 179.4103 119 I 3.9358 8.1949 120.0936 64.5799 36.8747 178.4086 120 E 4.2862 8.3349 118.3580 59.1072 29.3955 178.8519 121 G 3.7931 7.8950 103.3104 44.4255 0.0000 172.7505 122 G 3.9168 7.8078 110.5783 46.1493 0.0000 174.2500 *124 K 4.1737 7.7300 118.3144 55.8256 35.1001 176.1961 125 Y 4.1703 8.5320 119.2855 60.5873 37.6399 178.5882 126 E 3.3454 7.0994 119.6012 58.9294 29.5131 178.9002 127 D 4.2194 7.7806 118.1231 57.1998 40.9925 178.3541 128 A 3.9291 7.8708 121.1972 55.2138 18.2977 179.7649 129 V 3.5145 7.9672 116.9860 66.3557 31.5106 178.3056 130 Q 4.0034 8.2128 117.7713 58.9271 28.3250 178.3936 131 F 4.1505 8.5596 121.1137 61.3494 39.5552 176.9932 132 I 3.9838 8.0962 119.4128 64.3997 36.8064 178.5987 133 R 4.1472 8.4850 119.1488 59.1066 29.5949 178.7802 134 Q 3.8737 8.1344 118.8796 58.4476 28.9444 177.7603 135 K 4.5143 7.1534 118.1182 56.5132 33.5313 176.3716 136 R 4.3986 8.1771 120.9531 53.7530 31.0952 175.2229 137 R 3.9595 8.9256 122.1327 59.3448 29.0791 178.0906 138 G 3.8738 7.9826 103.9220 44.7986 0.0000 173.2802 139 A 3.6984 7.6847 123.2995 52.7429 18.7804 174.0682 140 F 4.1990 8.1915 128.9772 57.4965 39.0053 175.4886 141 N 4.8781 8.9688 124.2165 51.2852 40.7396 175.9711 142 S 4.1460 8.4798 114.7606 61.6837 62.7135 176.5505 143 K 4.0593 8.0787 121.9814 59.6052 32.3964 179.1030 144 Q 2.9856 8.5473 119.4099 58.3954 28.5881 178.3717 145 L 3.8088 7.8743 119.9137 57.3430 41.4632 179.4876 146 L 3.8418 7.5570 120.4476 58.2541 42.2267 178.5122 147 Y 4.3498 7.5072 117.0463 59.4632 37.8752 177.6723 148 L 3.9705 7.2212 120.6371 57.4805 41.6691 177.9821 149 E 2.7220 7.1048 118.9613 58.0952 29.5973 177.5154 150 K 4.2339 7.1483 114.5285 56.5889 32.7515 176.3526 151 Y 4.0671 7.5085 120.9653 57.7103 38.9462 175.5353 152 R 4.1803 7.6785 126.6628 53.2780 30.4642 174.0920 153 P 4.2737 0.0000 0.0000 62.2447 33.6072 175.2461 154 K 3.8844 8.4705 122.6397 58.1405 30.1070 178.8883 *156 R 4.3458 9.0922 128.7120 56.4239 32.6326 176.0051 157 L 4.0322 7.9300 117.6055 54.6002 42.2062 176.3697 158 R 4.6465 7.9006 120.8990 54.4293 32.6493 176.2182 159 F 4.3854 8.4707 118.4256 57.8191 39.9194 174.8645 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 8 P 0.00 4.64 0.00 1.99 2.16 0.00 3.76 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 1.95 2.11 0.00 9 V 8.34 4.23 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 0.65 0.00 0.00 0.92 0.00 0.00 10 E 8.59 5.26 0.00 1.82 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 2.21 2.39 0.00 11 V 9.03 4.72 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 1.09 0.00 0.00 1.33 0.00 0.00 12 T 8.71 5.05 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 13 Y 8.69 4.85 0.00 2.80 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 14 K 7.73 3.15 0.00 1.49 1.02 0.00 1.23 0.00 0.00 1.10 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 15 N 8.45 4.39 0.00 2.83 2.89 0.00 0.00 5.77 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 *17 R 7.46 4.09 0.00 1.82 2.02 0.00 3.37 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 18 F 9.54 5.62 0.00 3.19 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 19 L 9.07 4.90 0.00 1.60 1.49 0.26 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.86 4.63 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.85 0.00 0.00 21 T 8.36 4.86 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 1.54 0.00 0.00 22 H 8.66 4.74 0.00 3.10 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.36 3.98 0.00 2.80 2.77 0.00 0.00 7.05 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 24 P 0.00 4.22 0.00 1.48 0.63 0.00 3.20 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.44 0.00 25 T 7.69 4.41 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 26 N 8.77 4.47 0.00 2.73 2.87 0.00 0.00 6.79 7.96 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 27 A 8.35 4.54 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.89 4.37 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 1.17 0.00 0.00 29 L 7.54 3.90 0.00 1.81 1.69 0.59 0.68 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 30 N 8.11 4.38 0.00 2.78 2.86 0.00 0.00 7.15 7.27 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 31 K 8.02 4.06 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.50 7.81 32 F 8.24 4.23 0.00 3.11 3.15 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 33 I 8.16 3.54 2.03 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 1.47 0.81 0.91 0.00 0.00 34 E 8.13 3.89 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 35 E 8.18 3.89 0.00 2.17 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 2.51 2.55 0.00 36 L 7.69 4.00 0.00 1.67 1.61 0.36 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.08 3.93 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.60 7.81 38 K 7.58 3.99 0.00 1.67 1.64 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.59 7.81 39 Y 7.81 4.41 0.00 3.13 2.95 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 40 G 8.08 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 41 V 8.02 4.87 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 0.84 0.00 0.00 0.93 0.00 0.00 42 T 8.42 4.69 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 1.22 0.00 0.00 43 T 7.67 5.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 44 I 8.96 5.00 1.94 0.00 0.00 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 1.22 1.03 1.07 0.00 0.00 45 V 8.91 4.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.87 0.00 0.00 46 R 8.84 4.56 0.00 1.75 1.68 0.00 2.98 0.00 0.00 2.96 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.00 47 V 8.21 4.51 1.18 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 1.18 0.00 0.00 0.69 0.00 0.00 48 C 7.36 5.14 0.00 2.61 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 49 E 8.98 3.82 0.00 1.88 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 2.26 2.29 0.00 50 A 8.35 4.31 1.12 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 0.00 0.00 51 T 8.24 4.48 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 1.21 0.00 0.00 52 Y 6.88 4.89 0.00 2.98 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 53 D 8.94 4.48 0.00 2.68 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 54 T 8.44 4.54 4.29 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 1.10 0.00 0.00 55 T 7.82 3.86 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 1.31 0.00 0.00 56 L 7.94 4.02 0.00 1.82 1.76 0.94 0.93 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 57 V 7.70 3.64 2.36 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 1.21 0.00 0.00 1.15 0.00 0.00 58 E 8.84 4.68 0.00 2.14 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 2.52 2.36 0.00 59 K 7.92 4.04 0.00 1.92 2.09 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 60 E 7.70 4.38 0.00 2.14 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 2.65 2.48 0.00 61 G 7.91 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 0.00 0.00 0.00 62 I 7.66 4.53 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 1.12 1.49 0.94 0.00 0.00 63 H 8.89 5.54 0.00 3.26 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.67 4.68 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 0.75 0.00 0.00 1.02 0.00 0.00 65 L 8.96 4.46 0.00 0.78 0.45 0.48 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.64 4.99 0.00 2.55 2.63 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 67 W 8.53 5.29 0.00 3.35 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 68 P 0.00 5.18 0.00 2.05 2.02 0.00 3.54 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 69 F 7.66 4.73 0.00 2.93 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 *72 G 8.61 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 0.00 0.00 0.00 73 A 7.85 4.20 1.23 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 74 P 0.00 3.46 0.00 1.66 1.01 0.00 3.63 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 75 P 0.00 3.84 0.00 1.62 1.25 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 76 S 8.29 4.27 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 77 N 8.64 4.32 0.00 2.72 2.90 0.00 0.00 6.49 7.93 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 78 Q 7.92 3.89 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 79 I 7.38 3.32 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.41 0.98 0.00 0.00 80 V 7.72 3.71 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.01 0.00 0.00 81 D 8.25 4.40 0.00 2.84 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 82 D 8.19 4.31 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.60 4.87 0.00 3.67 3.47 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 84 L 8.54 3.91 0.00 1.97 1.76 1.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.32 4.16 0.00 4.07 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 86 L 8.10 3.94 0.00 2.13 1.94 0.92 0.82 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 87 V 7.62 3.35 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 1.28 0.00 0.00 0.33 0.00 0.00 88 K 8.03 3.85 0.00 1.89 1.98 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.37 7.81 89 I 7.75 3.81 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 1.48 0.83 0.97 0.00 0.00 90 K 8.00 3.78 0.00 1.20 1.41 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.40 7.81 91 F 7.39 4.55 0.00 3.09 3.14 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 92 R 7.19 4.37 0.00 2.02 1.97 0.00 3.19 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 93 E 8.57 4.23 0.00 1.98 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 2.30 2.33 0.00 94 E 8.38 4.63 0.00 2.07 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 2.19 2.20 0.00 95 P 0.00 4.58 0.00 2.06 2.04 0.00 3.72 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 2.04 2.27 0.00 96 G 9.08 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 0.00 0.00 0.00 97 C 7.76 4.66 0.00 3.24 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 98 C 8.61 5.25 0.00 3.14 2.95 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 99 I 8.63 4.95 2.28 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.10 1.30 0.00 0.00 100 A 9.07 5.31 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 0.00 101 V 8.87 5.06 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 1.05 0.00 0.00 102 H 8.84 5.14 0.00 3.40 3.44 0.00 5.48 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 8.79 4.88 0.00 2.84 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 0.00 0.00 0.00 0.00 104 V 8.53 4.06 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 0.77 0.00 0.00 0.91 0.00 0.00 105 A 7.58 4.26 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 0.00 106 G 8.48 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 0.00 107 L 8.48 3.91 0.00 1.56 1.60 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.39 3.73 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 0.00 0.00 0.00 109 R 8.39 4.37 0.00 1.72 2.20 0.00 2.96 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 110 A 7.77 3.96 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 0.00 111 P 0.00 4.24 0.00 1.31 1.76 0.00 3.46 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 1.73 1.93 0.00 112 V 7.76 3.85 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 1.10 0.00 0.00 1.23 0.00 0.00 113 L 7.76 3.57 0.00 0.91 0.13 0.49 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.04 3.29 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 0.95 0.00 0.00 0.78 0.00 0.00 115 A 8.20 4.09 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 0.00 116 L 7.95 3.79 0.00 1.92 1.82 0.54 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.28 4.34 1.70 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 0.00 118 L 7.90 4.08 0.00 1.84 1.59 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.19 3.94 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 1.15 0.00 0.00 120 E 8.33 4.29 0.00 2.36 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 2.99 2.70 0.00 121 G 7.90 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 0.00 0.00 0.00 122 G 7.81 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 *124 K 7.73 4.17 0.00 1.90 1.92 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.50 7.81 125 Y 8.53 4.17 0.00 3.09 3.23 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 0.00 126 E 7.10 3.35 0.00 1.73 1.72 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 1.99 1.47 0.00 127 D 7.78 4.22 0.00 2.66 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 0.00 128 A 7.87 3.93 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 0.00 129 V 7.97 3.51 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 1.09 0.00 0.00 0.55 0.00 0.00 130 Q 8.21 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 131 F 8.56 4.15 0.00 2.95 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 0.00 132 I 8.10 3.98 2.32 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.14 0.91 0.00 0.00 133 R 8.48 4.15 0.00 1.95 2.01 0.00 3.20 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 134 Q 8.13 3.87 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 135 K 7.15 4.51 0.00 1.72 1.79 0.00 1.43 0.00 0.00 1.35 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.40 7.81 136 R 8.18 4.40 0.00 1.75 1.70 0.00 3.14 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 137 R 8.93 3.96 0.00 1.95 2.08 0.00 3.07 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 138 G 7.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.68 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.19 4.20 0.00 3.24 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 0.00 141 N 8.97 4.88 0.00 3.01 2.99 0.00 0.00 6.29 7.33 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 0.00 142 S 8.48 4.15 0.00 4.08 4.18 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 0.00 0.00 0.00 0.00 143 K 8.08 4.06 0.00 2.10 2.16 0.00 1.55 0.00 0.00 1.88 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.75 1.62 7.81 144 Q 8.55 2.99 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 145 L 7.87 3.81 0.00 1.80 1.73 0.95 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.56 3.84 0.00 1.91 1.74 0.91 0.65 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 0.00 147 Y 7.51 4.35 0.00 2.99 3.15 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 0.00 148 L 7.22 3.97 0.00 1.39 1.51 0.32 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.10 2.72 0.00 1.32 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 2.20 2.21 0.00 150 K 7.15 4.23 0.00 1.82 1.83 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.38 7.81 151 Y 7.51 4.07 0.00 3.02 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 0.00 152 R 7.68 4.18 0.00 1.59 1.70 0.00 3.21 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 153 P 0.00 4.27 0.00 2.23 2.20 0.00 3.60 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 1.94 2.02 0.00 154 K 8.47 3.88 0.00 1.81 1.49 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.43 7.81 *156 R 9.09 4.35 0.00 1.84 2.04 0.00 3.38 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 157 L 7.93 4.03 0.00 1.70 1.18 1.07 0.79 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 0.00 158 R 7.90 4.65 0.00 1.63 1.74 0.00 3.10 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 159 F 8.47 4.39 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.