NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 T 4.5926 8.1749 115.5091 62.0674 68.7054 172.5951 20 I 4.3232 8.9267 130.3582 59.2553 39.5256 171.2593 21 E 4.9389 9.5640 127.7233 54.9885 31.5491 175.0408 22 I 4.3250 8.7590 126.4586 60.2261 38.7383 175.1788 23 I 4.6008 8.2324 128.1799 59.7010 38.8956 175.7611 24 A 4.1628 8.8829 128.3048 51.9475 18.6885 177.0601 25 P 4.7069 0.0000 0.0000 64.7525 32.1361 175.9444 26 L 5.0605 7.4118 117.0264 54.1661 43.6213 175.4376 27 S 4.6801 8.7668 115.4785 57.4162 64.4137 175.3314 28 G 4.6071 6.8229 108.0506 46.1383 0.0000 170.3375 29 E 5.1404 7.9599 119.4858 54.4195 32.6476 175.9116 30 I 4.4260 8.9804 126.0760 61.4000 38.0801 175.6280 31 V 4.5516 8.7276 125.0097 60.8180 35.6301 174.5159 32 N 4.7282 8.5616 122.2132 52.9905 39.2396 176.5265 33 I 3.7073 8.3293 122.3838 63.5658 38.3921 177.3616 34 E 4.1568 8.1137 116.7017 58.2287 29.7766 176.8372 35 D 4.7023 7.9557 119.0242 54.0363 40.9783 176.0938 36 V 3.9406 7.4624 120.1317 61.3058 32.4863 175.5389 37 P 4.5857 0.0000 0.0000 61.7538 30.5059 177.3805 38 D 4.5604 7.6897 117.7701 53.2089 44.4579 174.3331 39 V 3.7485 8.5893 121.4117 64.7034 31.6540 178.8553 40 V 3.6681 7.9754 111.7192 64.1297 31.1894 178.5806 41 F 4.0781 8.1515 116.7120 60.0727 38.9662 177.7318 42 A 4.4633 8.4249 120.0495 54.5708 18.2735 177.9528 43 E 4.3664 8.6657 113.0721 55.5069 29.8930 176.2501 44 K 4.1110 8.1261 117.7258 56.2293 30.3383 177.6759 45 I 3.6932 7.6104 120.6798 64.0377 37.2156 177.8476 46 V 3.6706 7.9528 117.4328 62.7533 31.6811 174.7622 47 G 4.5154 6.3391 104.1476 45.1242 0.0000 171.8234 48 D 5.1439 8.5009 118.1514 52.0345 44.8575 175.9265 49 G 4.3678 7.4560 112.2782 46.2989 0.0000 172.0011 50 I 4.8249 8.3092 118.3819 59.1607 41.7830 173.8783 51 A 5.0105 8.5682 122.5696 50.1635 22.8317 175.2911 52 I 4.8748 7.9977 118.7593 59.3525 41.4863 174.8483 53 K 4.3666 8.8114 129.2661 54.6768 32.6393 174.2971 54 P 5.2000 0.0000 0.0000 63.2613 32.0746 176.3316 55 T 4.6311 8.9563 108.8946 61.0925 70.3647 174.7893 56 G 4.3257 8.3884 112.2194 45.6507 0.0000 174.2822 57 N 4.0366 8.2860 120.9453 51.9024 39.6935 174.2368 58 K 4.5969 7.4077 116.1801 56.3469 35.6829 174.3472 59 M 5.0977 9.4957 122.1137 54.2568 34.4681 175.2662 60 V 4.9001 8.7714 119.1473 59.0399 35.5746 175.1935 61 A 4.3739 8.8015 124.3845 51.8886 18.9057 176.5564 62 P 4.7679 0.0000 0.0000 63.7201 32.7829 175.6710 63 V 4.6919 7.3508 111.9071 60.5770 36.1203 172.7229 64 D 4.6775 8.7238 122.3822 53.9403 41.9975 176.7095 65 G 4.0198 7.7697 110.5376 46.1324 0.0000 170.8501 66 T 5.1303 7.7830 116.2849 61.5224 72.1503 174.1203 67 I 4.0488 9.2203 127.6187 61.9441 37.9171 175.9997 68 G 3.9450 9.8024 114.4043 47.2132 0.0000 173.4082 69 K 5.0280 7.9454 120.9860 53.9914 36.2082 174.1648 70 I 5.1710 9.0180 128.0314 59.3067 39.4547 175.7422 71 F 4.1882 9.4189 126.2062 57.4984 39.5201 176.6456 72 E 4.2319 9.0476 121.6423 58.8854 29.7923 177.8475 73 T 4.4115 8.1572 107.9601 60.5649 69.5383 174.1810 74 N 4.6779 8.3762 119.0879 55.4445 36.8273 173.9916 75 H 4.0838 7.7117 109.3745 54.7177 30.7876 173.0555 76 A 4.7642 7.3828 119.9822 51.0312 22.6701 174.9199 77 F 5.6409 8.3223 114.1938 56.1269 42.1710 173.0488 78 S 5.6251 9.5621 115.2001 57.0375 65.9709 173.4043 79 I 5.1937 8.6389 122.3800 59.4984 42.1260 172.9708 80 E 5.2216 8.8600 128.2432 54.3614 32.4376 175.8088 81 S 4.9890 9.1321 122.1689 57.7172 64.6866 175.1234 82 D 4.4065 9.2021 120.8476 57.3795 40.6118 178.7578 83 S 4.3350 8.0209 110.4817 58.8026 62.8928 174.7230 84 G 3.8636 7.9165 108.6315 45.9970 0.0000 173.3559 85 V 4.3237 8.2562 120.6379 61.6639 33.2690 174.5901 86 E 5.0292 8.8281 127.4852 55.2088 31.0231 175.2635 87 L 5.3330 8.8975 124.2727 53.0121 46.0793 175.7648 88 F 4.9537 9.0124 122.8839 57.0849 42.6528 173.3613 89 V 3.9882 7.3495 127.6247 61.3995 32.5591 174.1077 90 H 4.3865 7.9987 128.1949 53.6114 32.0405 172.3570 91 F 3.8004 8.3507 129.6635 59.1460 39.6994 176.6010 92 G 4.0954 7.4289 116.3356 45.6536 0.0000 171.9796 93 I 4.3361 8.1052 118.8063 60.6735 39.3814 175.9041 94 D 4.7706 8.9763 122.9026 55.4092 38.6062 175.8520 95 T 4.0665 7.5084 111.7529 64.3884 68.5200 176.0465 96 V 3.5192 7.7959 122.1434 64.9538 30.9981 177.8478 97 E 4.0666 7.8688 117.8752 58.7384 29.6970 178.3867 98 L 4.2449 8.2234 117.9596 54.2305 42.1442 176.6531 99 K 4.1558 9.3651 118.1202 57.4023 30.4120 176.0369 100 G 4.4075 8.3364 106.8798 44.6175 0.0000 173.2010 101 E 4.0999 7.7059 120.8198 57.9566 29.7908 176.9063 102 G 3.6861 9.1918 114.9808 44.8420 0.0000 172.3657 103 F 5.3634 7.3810 116.8563 55.6139 41.9288 175.2898 104 K 4.5648 8.8935 122.0858 54.6876 35.9212 175.8004 105 R 4.2647 8.8738 126.7775 56.8360 29.9135 175.7828 106 I 4.3116 9.0344 127.2100 62.1704 39.2405 176.0355 107 A 4.5764 7.7651 123.4159 50.7961 20.9427 175.2946 108 E 4.7923 8.5766 117.4216 54.1764 32.3733 176.2182 109 E 4.2434 8.5341 121.1948 58.1092 29.9248 177.8911 110 G 3.9673 8.7396 111.8080 44.9624 0.0000 173.5229 111 Q 4.1055 7.9081 122.2323 56.1158 30.2249 174.9681 112 R 4.7255 8.4916 126.5188 56.0129 31.2126 175.6214 113 V 4.7679 9.1030 118.4777 59.8752 36.7996 174.3030 114 K 5.0607 9.2189 121.5130 54.2498 35.3280 176.2214 115 V 3.8311 10.1650 121.6891 65.1864 31.6641 176.7768 116 G 4.0374 8.8400 115.2221 45.2067 0.0000 173.5291 117 D 4.5063 7.9585 120.6083 54.6888 41.9138 175.9980 118 T 4.2433 8.4738 119.9647 63.9073 68.9776 173.9672 119 V 4.0508 8.9750 126.0520 64.2237 33.6797 175.5113 120 I 5.1630 7.4821 119.2004 59.9250 41.8746 173.6422 121 E 5.1077 9.1411 124.9950 54.5783 32.4433 174.9837 122 F 5.2288 7.7143 116.6354 55.3757 41.8700 174.2539 123 D 4.5053 8.6391 120.2557 52.8884 41.0953 176.7572 124 L 4.0629 8.6765 127.4566 57.7618 42.3524 176.5870 125 P 4.2291 0.0000 0.0000 65.4271 31.2999 178.1782 126 L 3.9173 8.2387 118.9695 58.4328 42.0532 179.2212 127 L 4.1535 7.8826 118.6549 57.6475 41.2534 179.3726 128 E 4.0998 8.5803 118.5099 59.2395 29.4258 178.6526 129 E 4.0855 8.1677 118.6033 58.8665 29.8625 178.2118 130 K 4.2403 8.3332 116.8696 56.8472 33.1774 177.2867 131 A 4.3105 7.8089 121.9802 51.1761 19.1772 177.2386 132 K 4.0105 8.6766 122.8876 59.5236 32.6160 177.1133 133 S 4.5266 7.5996 109.7890 57.7239 64.8370 174.8196 134 T 4.1115 8.2724 115.4384 61.2799 69.6855 174.8117 135 L 3.7377 7.6835 124.1166 55.8868 43.0550 176.3454 136 T 4.2579 7.9338 119.8086 59.8287 70.3857 171.6035 137 P 4.5919 0.0000 0.0000 62.3773 33.1490 176.1593 138 V 4.4829 9.5360 117.5192 59.8782 34.3339 175.0576 139 V 5.0032 8.5160 118.3939 59.4360 36.1015 174.8638 140 I 4.8346 8.8968 123.9979 60.3690 38.3215 176.5892 141 S 4.5400 9.1139 121.5619 58.2009 63.8032 174.2406 142 N 4.7909 7.9466 119.0232 54.0689 39.1850 176.2290 143 M 3.9785 8.0173 118.9146 58.6809 32.0831 178.4131 144 D 4.5139 8.0984 115.8596 56.3031 41.0575 176.6729 145 E 4.6080 9.1105 118.9939 55.5467 29.8164 175.4142 146 I 4.5662 7.3794 112.5081 58.7794 40.0248 175.5529 147 K 4.1554 8.6252 125.8594 59.1705 32.3383 176.4560 148 E 4.7287 7.9818 119.5247 54.4563 33.5626 172.9324 149 L 4.9605 8.5857 127.3700 53.5665 44.2531 175.4750 150 I 4.4060 8.6327 128.7583 59.5163 39.0955 175.1750 151 K 4.6001 8.6206 127.3941 55.8864 32.9231 177.2558 152 L 4.6031 8.3944 125.3046 53.7080 43.7101 175.6912 153 S 4.6721 8.5590 114.7091 57.4814 67.0557 174.7716 154 G 3.8350 8.6396 106.4645 44.3361 0.0000 172.0908 155 S 5.1688 8.2473 115.0022 57.6347 64.6515 174.2694 156 V 4.6505 9.0269 116.0104 59.9127 36.5019 174.5068 157 T 4.9726 8.4860 118.8080 61.5290 71.4808 174.0672 158 V 3.7818 8.6000 125.7205 63.0855 31.3490 176.1064 159 G 4.0385 9.2811 113.1468 46.3421 0.0000 173.2940 160 E 4.4181 8.4369 118.4213 57.4949 31.9791 175.8054 161 T 4.2954 7.7293 115.8826 61.9057 69.2504 172.4464 162 P 4.8194 0.0000 0.0000 63.1129 31.7004 176.5618 163 V 4.4065 9.4790 115.9853 61.8252 34.8645 175.7041 164 I 5.2131 7.6038 118.9663 59.5921 42.0298 174.3890 165 R 5.2326 8.8691 123.3678 54.4273 33.4887 174.7525 166 I 5.7202 9.1037 116.4210 58.0510 41.5123 174.1387 167 K 4.7626 8.5000 125.7402 55.0672 35.9279 176.7955 *168 K 4.1369 8.4910 124.5333 54.8887 32.3826 176.6821 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 19 T 8.17 4.59 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 1.22 0.00 0.00 20 I 8.93 4.32 1.88 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 1.24 0.54 0.93 0.00 0.00 21 E 9.56 4.94 0.00 1.85 1.89 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 2.24 2.33 0.00 22 I 8.76 4.33 1.88 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 1.24 1.21 0.93 0.00 0.00 23 I 8.23 4.60 1.90 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 1.18 0.80 0.92 0.00 0.00 24 A 8.88 4.16 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 25 P 0.00 4.71 0.00 2.34 2.50 0.00 3.69 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 26 L 7.41 5.06 0.00 1.91 2.15 0.93 0.71 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 27 S 8.77 4.68 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 6.82 4.61 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 0.00 0.00 0.00 29 E 7.96 5.14 0.00 1.85 1.81 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 2.28 2.23 0.00 30 I 8.98 4.43 1.92 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 1.10 0.56 0.99 0.00 0.00 31 V 8.73 4.55 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 1.02 0.00 0.00 0.94 0.00 0.00 32 N 8.56 4.73 0.00 3.10 2.97 0.00 0.00 6.51 7.28 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 33 I 8.33 3.71 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.37 0.99 0.00 0.00 34 E 8.11 4.16 0.00 2.12 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 0.00 2.27 2.27 0.00 35 D 7.96 4.70 0.00 2.65 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 36 V 7.46 3.94 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.80 0.00 0.00 37 P 0.00 4.59 0.00 2.20 2.10 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 38 D 7.69 4.56 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.59 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 0.75 0.00 0.00 0.93 0.00 0.00 40 V 7.98 3.67 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 0.70 0.00 0.00 0.86 0.00 0.00 41 F 8.15 4.08 0.00 3.07 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 42 A 8.42 4.46 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 43 E 8.67 4.37 0.00 2.01 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 2.36 0.00 44 K 8.13 4.11 0.00 1.92 2.00 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.50 7.81 45 I 7.61 3.69 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.83 0.00 0.00 46 V 7.95 3.67 1.73 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 0.59 0.00 0.00 0.55 0.00 0.00 47 G 6.34 4.52 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 0.00 48 D 8.50 5.14 0.00 2.73 2.49 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 49 G 7.46 4.37 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 0.00 50 I 8.31 4.82 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.90 0.00 0.00 51 A 8.57 5.01 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 52 I 8.00 4.87 1.78 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 1.08 1.00 0.96 0.00 0.00 53 K 8.81 4.37 0.00 1.76 1.67 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.48 7.81 54 P 0.00 5.20 0.00 2.27 2.14 0.00 3.38 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 1.76 1.58 0.00 55 T 8.96 4.63 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 1.24 0.00 0.00 56 G 8.39 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 0.00 0.00 0.00 0.00 57 N 8.29 4.04 0.00 2.38 2.70 0.00 0.00 5.51 6.45 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 58 K 7.41 4.60 0.00 1.65 1.55 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.63 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.43 7.81 59 M 9.50 5.10 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.77 0.00 60 V 8.77 4.90 2.19 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 0.86 0.00 0.00 1.06 0.00 0.00 61 A 8.80 4.37 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 62 P 0.00 4.77 0.00 2.17 2.45 0.00 3.90 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 63 V 7.35 4.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.99 0.00 0.00 64 D 8.72 4.68 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 65 G 7.77 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 66 T 7.78 5.13 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 1.32 0.00 0.00 67 I 9.22 4.05 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.82 1.04 0.00 0.00 68 G 9.80 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 69 K 7.95 5.03 0.00 1.81 1.73 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.63 1.38 7.81 70 I 9.02 5.17 1.95 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 1.32 0.87 1.00 0.00 0.00 71 F 9.42 4.19 0.00 2.89 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 72 E 9.05 4.23 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 73 T 8.16 4.41 4.39 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 1.36 0.00 0.00 74 N 8.38 4.68 0.00 2.90 2.97 0.00 0.00 6.68 8.10 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 75 H 7.71 4.08 0.00 1.82 2.48 0.00 5.46 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 76 A 7.38 4.76 0.25 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 77 F 8.32 5.64 0.00 3.26 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 78 S 9.56 5.63 0.00 4.11 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 79 I 8.64 5.19 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.82 1.12 0.00 0.00 80 E 8.86 5.22 0.00 2.13 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 2.22 2.24 0.00 81 S 9.13 4.99 0.00 3.94 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 82 D 9.20 4.41 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.02 4.34 0.00 3.99 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 84 G 7.92 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 85 V 8.26 4.32 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 1.10 0.00 0.00 0.95 0.00 0.00 86 E 8.83 5.03 0.00 1.94 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 2.30 2.30 0.00 87 L 8.90 5.33 0.00 1.57 1.52 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.01 4.95 0.00 3.06 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 89 V 7.35 3.99 0.67 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 0.73 0.00 0.00 0.51 0.00 0.00 90 H 8.00 4.39 0.00 2.76 2.85 0.00 5.64 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.35 3.80 0.00 3.02 2.89 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 92 G 7.43 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 0.00 0.00 0.00 93 I 8.11 4.34 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.12 0.95 0.00 0.00 94 D 8.98 4.77 0.00 2.87 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 95 T 7.51 4.07 4.31 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 1.54 0.00 0.00 96 V 7.80 3.52 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 0.93 0.00 0.00 1.06 0.00 0.00 97 E 7.87 4.07 0.00 2.05 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 2.39 2.54 0.00 98 L 8.22 4.24 0.00 2.05 1.80 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.37 4.16 0.00 1.90 1.89 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.56 7.81 100 G 8.34 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 0.00 0.00 0.00 0.00 101 E 7.71 4.10 0.00 2.22 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 2.32 2.28 0.00 102 G 9.19 3.69 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 0.00 0.00 0.00 103 F 7.38 5.36 0.00 3.10 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 0.00 104 K 8.89 4.56 0.00 1.71 1.68 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.44 7.81 105 R 8.87 4.26 0.00 1.86 1.88 0.00 3.22 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 106 I 9.03 4.31 1.95 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 0.99 0.88 0.00 0.00 107 A 7.77 4.58 1.14 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 0.00 0.00 108 E 8.58 4.79 0.00 2.01 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 0.00 2.20 2.34 0.00 109 E 8.53 4.24 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 110 G 8.74 3.97 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 0.00 0.00 0.00 111 Q 7.91 4.11 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 112 R 8.49 4.73 0.00 1.87 1.81 0.00 3.24 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 113 V 9.10 4.77 2.15 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 0.68 0.00 0.00 1.06 0.00 0.00 114 K 9.22 5.06 0.00 1.66 1.74 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.35 7.81 115 V 10.17 3.83 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 0.71 0.00 0.00 0.97 0.00 0.00 116 G 8.84 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 0.00 0.00 0.00 117 D 7.96 4.51 0.00 2.68 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 0.00 118 T 8.47 4.24 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 1.18 0.00 0.00 119 V 8.97 4.05 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 0.08 0.00 0.00 0.54 0.00 0.00 120 I 7.48 5.16 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.30 1.25 0.00 0.00 121 E 9.14 5.11 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 122 F 7.71 5.23 0.00 2.35 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.64 4.51 0.00 2.60 2.46 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 0.00 124 L 8.68 4.06 0.00 2.14 1.74 1.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.23 0.00 2.19 2.09 0.00 3.86 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 2.10 2.16 0.00 126 L 8.24 3.92 0.00 1.72 1.78 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.88 4.15 0.00 1.89 1.79 0.17 0.66 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 0.00 128 E 8.58 4.10 0.00 2.15 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 2.38 2.48 0.00 129 E 8.17 4.09 0.00 1.98 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 2.32 2.35 0.00 130 K 8.33 4.24 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.51 7.81 131 A 7.81 4.31 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 0.00 132 K 8.68 4.01 0.00 1.72 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.51 7.81 133 S 7.60 4.53 0.00 3.79 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 0.00 134 T 8.27 4.11 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 1.31 0.00 0.00 135 L 7.68 3.74 0.00 1.46 1.46 0.84 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.93 4.26 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 1.02 0.00 0.00 137 P 0.00 4.59 0.00 1.90 1.79 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.10 0.00 138 V 9.54 4.48 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 139 V 8.52 5.00 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 0.85 0.00 0.00 1.18 0.00 0.00 140 I 8.90 4.83 2.00 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 1.30 0.51 0.96 0.00 0.00 141 S 9.11 4.54 0.00 3.82 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 0.00 142 N 7.95 4.79 0.00 2.79 2.80 0.00 0.00 7.16 7.65 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 0.00 143 M 8.02 3.98 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.73 0.00 144 D 8.10 4.51 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 9.11 4.61 0.00 1.79 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 2.22 0.00 146 I 7.38 4.57 1.88 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 1.28 0.68 0.98 0.00 0.00 147 K 8.63 4.16 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 148 E 7.98 4.73 0.00 2.03 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 2.27 2.30 0.00 149 L 8.59 4.96 0.00 1.66 1.54 0.93 1.00 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 0.00 150 I 8.63 4.41 1.97 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 1.23 0.82 0.91 0.00 0.00 151 K 8.62 4.60 0.00 1.64 1.74 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 152 L 8.39 4.60 0.00 1.63 1.62 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.56 4.67 0.00 3.79 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 0.00 154 G 8.64 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 0.00 155 S 8.25 5.17 0.00 3.77 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 0.00 156 V 9.03 4.65 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 0.91 0.00 0.00 1.04 0.00 0.00 157 T 8.49 4.97 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 1.22 0.00 0.00 158 V 8.60 3.78 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 0.63 0.00 0.00 1.01 0.00 0.00 159 G 9.28 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 0.00 0.00 0.00 160 E 8.44 4.42 0.00 1.88 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 2.21 2.30 0.00 161 T 7.73 4.30 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 0.00 162 P 0.00 4.82 0.00 1.94 1.99 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 163 V 9.48 4.41 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 0.87 0.00 0.00 1.01 0.00 0.00 164 I 7.60 5.21 1.88 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 0.77 0.97 0.00 0.00 165 R 8.87 5.23 0.00 1.74 1.78 0.00 3.07 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 166 I 9.10 5.72 1.88 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 1.27 1.38 0.92 0.00 0.00 167 K 8.50 4.76 0.00 1.82 1.65 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 *168 K 8.49 4.14 0.00 1.57 1.61 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.