NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0479 8.0549 120.3974 62.4696 31.8057 175.1708 3 L 4.1317 8.3697 127.9985 53.3849 42.5046 174.8569 4 Q 4.4044 8.4670 121.0306 54.7108 31.1143 174.2189 5 V 4.1596 8.1634 124.9241 61.9145 32.5661 175.0319 6 L 4.3718 8.7908 128.1023 54.9196 42.2657 175.9908 7 H 5.1860 8.7956 120.8016 54.2013 31.1366 174.8320 8 I 3.9760 8.4045 115.1305 60.3808 38.2583 174.1984 9 P 4.5221 0.0000 0.0000 63.2040 31.2129 175.6349 10 D 4.2063 7.6495 117.2327 53.2019 41.3930 177.4036 11 E 4.0443 8.9042 127.5977 58.6592 30.1536 178.4525 12 R 4.1127 7.9795 117.7600 58.4866 30.1864 178.1550 13 L 4.3006 7.7617 117.2240 56.3110 41.7532 178.1858 14 R 4.6168 7.6066 116.5921 55.8516 30.6667 176.5719 15 K 4.2121 7.3846 117.2378 56.1065 32.9230 176.8014 16 V 4.2098 8.2361 124.1002 61.9049 32.1129 175.5509 17 A 4.4224 8.6079 130.5853 51.9473 19.1631 177.1515 18 K 4.3397 8.7080 120.4173 55.0737 33.8239 175.0447 19 P 4.6666 0.0000 0.0000 62.4913 32.1829 176.5340 20 V 3.6292 9.4033 124.4504 62.8581 31.5446 175.5711 21 E 4.0867 8.9197 128.9607 58.6931 29.7695 176.6300 22 E 4.5879 7.6627 116.9779 54.3656 32.6611 174.1954 23 V 3.8931 8.4193 126.5389 62.4970 32.4199 174.6047 24 N 4.8863 8.2886 123.2442 50.8773 39.8911 174.2074 25 A 4.0077 8.6674 118.2307 55.4773 18.1296 179.6205 26 E 3.8650 8.0822 117.5883 59.4238 29.9218 178.5751 27 I 3.6991 7.7874 119.3663 64.8429 37.1489 178.2903 28 Q 4.0735 8.2462 118.5938 58.9566 28.5717 178.8195 29 R 3.9611 7.9559 119.5607 58.9147 29.9910 178.7069 30 I 3.6907 8.0639 120.3297 64.3886 37.0757 178.4053 31 V 3.5918 7.9076 119.0414 65.9423 31.3059 177.5692 32 D 4.5275 8.4707 118.9193 57.9094 40.7071 178.8202 33 D 4.6425 8.1443 118.8160 57.3495 40.7761 178.8896 34 M 3.9902 8.4552 119.9404 58.3581 31.8880 178.7176 35 F 4.0234 8.3737 118.1208 60.5414 38.8863 177.2773 36 E 4.1078 8.2860 117.8578 59.7964 29.4865 178.7796 37 T 4.0838 8.2429 116.0625 66.3588 68.0859 176.6958 38 M 3.8695 7.9299 120.3628 58.7228 32.1718 177.4029 39 Y 4.5007 7.8188 113.5352 59.2594 38.2381 176.9249 40 A 4.4217 7.5201 121.2220 53.3786 19.0537 177.4580 41 E 4.5402 7.5303 117.2786 55.6348 30.6531 177.1416 42 E 3.9253 8.7917 116.5797 55.9980 29.5016 174.5883 43 G 3.9008 7.6236 106.8685 46.6437 0.0000 173.0856 44 I 4.3259 8.2590 112.2899 59.0993 38.0056 175.1084 45 G 4.3247 6.9793 110.0265 46.2479 0.0000 172.5197 46 L 4.8375 8.3932 124.8666 53.0723 46.0642 174.7688 47 A 5.0732 8.5875 126.5570 49.9664 21.5588 177.4737 48 A 3.8821 8.6803 122.2397 55.4386 19.3510 180.3843 49 T 3.8402 8.1675 112.0910 67.0831 68.4231 176.4860 50 Q 4.2373 8.1081 118.9612 57.7476 28.3809 177.8695 51 V 4.8332 7.3121 113.7018 59.8722 33.1826 174.7519 52 D 4.2519 7.6595 114.4323 55.0772 40.1765 172.8089 53 I 4.3018 7.5460 117.5244 59.5882 39.2019 176.5566 54 H 4.9475 8.4791 126.7700 55.5798 27.3743 174.3243 55 Q 5.0703 7.5869 115.6227 54.0554 33.1093 178.6313 56 R 4.3370 8.5991 121.5344 55.9474 29.0638 174.3171 57 I 5.0244 7.8798 122.2220 59.2781 41.6676 174.0359 58 I 5.0747 8.8374 126.4665 59.5761 41.4198 174.6020 59 V 4.6309 8.5605 119.4857 59.5176 34.1265 174.8704 60 I 4.9031 8.7838 124.5378 59.7391 41.7038 174.0289 61 D 4.9060 8.2591 124.5048 53.0308 43.3145 175.8854 *67 D 4.6448 8.6556 119.3945 52.3980 41.1068 175.2255 68 E 4.7041 7.7290 119.3034 53.7080 32.8048 174.3498 69 R 4.7384 8.3275 123.2759 54.4132 34.0717 174.5632 70 L 4.6417 8.9069 122.7776 53.9720 45.5282 174.4368 71 V 4.8800 8.6705 126.2369 61.1869 34.0383 174.8665 72 L 4.8414 9.2340 127.0703 53.3129 44.8078 175.1344 73 I 4.6882 8.6146 125.4775 59.7125 39.6400 176.1805 74 N 4.2221 8.7840 125.3355 53.6212 36.5010 173.1661 75 P 4.3350 0.0000 0.0000 62.6846 32.8436 175.4342 76 E 4.6447 8.2216 120.3670 54.1861 32.6788 174.3315 77 L 4.3060 8.5905 129.0054 55.2477 42.2444 175.1141 78 L 4.5597 8.8950 125.9295 56.0957 42.9650 176.6542 79 E 4.9505 7.9858 117.6076 54.3407 33.4599 174.9903 80 K 5.0254 8.4050 121.6766 55.7777 35.4254 175.4604 81 S 4.5114 8.9544 117.8396 58.4556 66.6923 175.3249 82 G 4.2315 9.2299 107.9476 45.9283 0.0000 171.8893 83 E 4.7986 8.3043 119.4211 54.5126 31.6727 175.4739 84 T 4.4293 8.2957 116.8977 60.5740 70.7719 171.2477 85 G 4.3032 8.2384 119.6522 45.5283 0.0000 171.9646 86 I 4.3127 7.3087 122.9070 59.2536 41.1174 173.9833 87 E 4.5539 8.5598 121.1273 56.3095 30.2149 176.1850 88 E 4.5057 8.6040 123.1405 54.3246 33.2081 175.5832 89 G 4.0544 8.1340 108.7397 44.3019 0.0000 171.9697 90 C 4.6774 8.7180 126.7269 58.3820 32.6325 174.4289 91 L 4.1451 8.4316 124.0551 57.0292 41.7511 178.3928 92 S 4.7039 8.0029 113.2169 58.5700 63.6231 173.2298 93 I 4.4119 7.0841 122.3198 57.9245 36.5220 171.7315 94 P 4.0498 0.0000 0.0000 63.9543 31.2689 176.5022 95 E 3.8303 8.9481 120.9057 57.0581 26.8370 173.6643 96 Q 4.8613 7.6014 116.2210 54.3728 31.3964 174.9908 97 R 4.9074 8.4873 119.8071 53.6499 34.1219 174.4169 98 A 4.4788 7.8389 120.3348 51.0188 22.7368 175.1100 99 L 4.3170 8.5961 122.6940 54.5732 42.7535 176.1557 100 V 4.3255 7.9678 126.8556 60.2064 33.8638 172.7813 101 P 4.5437 0.0000 0.0000 63.4358 31.4643 175.5932 102 R 4.8488 8.8617 126.4612 54.3508 33.8028 174.4698 103 A 4.7988 7.9487 120.8411 51.1247 19.6764 177.4335 104 E 4.0426 8.7424 121.9050 58.9250 30.2162 176.5883 105 K 5.1001 8.2738 118.7706 54.7299 35.4742 175.4726 106 V 4.9266 8.2830 115.0726 58.7335 36.9766 174.3355 107 K 5.1143 8.4161 122.2517 55.0228 35.2729 174.8652 108 I 5.4528 8.4235 119.5044 58.1107 41.3580 174.6158 109 R 4.6113 8.4210 122.5198 54.5254 31.9221 173.6590 110 A 4.7833 7.7544 127.4454 49.7866 23.1524 174.1893 111 L 5.3109 8.6481 118.6070 53.4316 44.7425 177.7080 112 D 5.0123 8.6533 121.8073 52.3529 41.7880 176.6493 113 R 3.9558 8.6025 117.9284 59.9622 30.0283 177.6763 114 D 4.5312 8.1981 114.8212 54.4328 41.2131 176.0809 115 G 3.8106 8.0491 107.2611 46.6353 0.0000 173.6290 116 K 4.5774 8.9861 119.5275 53.2823 33.8634 174.5158 117 P 5.0557 0.0000 0.0000 63.0472 31.8541 175.6686 118 F 5.0992 9.1813 117.7104 55.6531 41.6321 172.9393 119 E 4.8902 8.7132 118.6628 53.9564 32.7765 175.2290 120 L 4.6657 8.0361 122.7608 54.0470 45.8433 173.8537 121 E 5.0104 8.8855 125.0753 55.2522 31.0815 175.2748 122 A 5.0210 8.7683 125.0833 50.1280 22.2962 174.7964 123 D 5.0266 8.2435 119.1103 51.5041 42.8220 177.8286 124 G 3.8632 8.3509 110.5139 47.3591 0.0000 176.3434 125 L 3.8392 8.6896 126.8590 57.5188 41.7257 177.2885 126 L 3.9861 7.9492 119.7273 58.0302 41.9075 178.6848 127 A 4.0620 7.9349 120.3768 54.9225 18.3295 179.5521 128 I 3.6933 7.2533 118.3861 64.3827 37.0907 178.0810 129 C 4.0714 8.0633 119.5611 62.5872 31.3779 175.5101 130 I 3.7051 7.4850 121.1419 64.6371 36.6800 178.3383 131 Q 3.9964 7.8554 118.3829 59.2733 28.4419 178.4819 132 H 4.1861 8.4222 119.1651 59.5304 29.8936 177.2272 133 E 4.0419 8.6549 120.7127 59.6032 29.1178 179.2439 134 M 4.2322 8.4898 119.1637 57.9956 31.9040 178.2951 135 D 4.4643 8.3249 119.4870 58.0330 41.2223 178.6134 136 H 4.1209 8.0215 116.1378 59.0328 28.6741 177.8299 137 L 4.2244 7.7328 121.8769 56.1888 41.0862 178.7631 138 V 4.2009 7.4493 110.4048 60.8713 31.7987 176.4286 139 G 3.9234 7.8377 106.1660 45.8333 0.0000 174.2836 140 K 4.4603 7.9842 119.0133 55.0120 33.3232 176.2725 141 L 4.7443 8.4286 122.3937 52.1460 44.7920 177.5739 142 F 4.5322 8.9682 116.8917 60.6884 37.3141 177.4311 143 M 4.0285 6.9431 116.1145 57.5302 30.8165 177.9445 144 D 4.2269 7.9214 119.7847 57.1891 40.9558 177.0276 145 Y 4.1930 7.6545 115.7516 59.8322 38.2079 175.8579 146 L 4.4783 7.3776 120.0696 53.3413 43.1039 177.0929 147 S 4.3646 8.2736 114.5512 57.8387 64.8953 173.2050 148 P 4.2335 0.0000 0.0000 65.8580 31.0670 178.9596 149 L 3.9659 7.8410 117.0467 57.9296 41.7735 179.3453 150 K 3.9252 7.9073 117.9064 59.7526 31.9301 179.4398 151 Q 3.9499 7.9441 117.8696 58.9321 28.7325 178.4077 152 Q 3.9854 8.1322 119.0462 59.1010 28.6900 179.2587 153 R 3.9204 8.0092 118.8360 59.3417 30.2843 179.0976 154 I 3.7073 7.5732 118.9785 64.5923 37.0886 178.7811 155 R 4.0067 8.0387 118.7589 59.0910 29.7455 178.5462 156 Q 4.3434 7.8853 115.1605 56.8787 29.1109 177.9866 157 K 4.1392 8.1552 120.2666 59.2752 32.1838 179.1380 158 V 3.7225 7.1514 116.3421 65.8845 31.6652 175.3846 159 E 4.1283 8.3908 122.8664 56.3532 29.4963 175.7778 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 V 8.05 4.05 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 1.01 0.00 0.00 0.96 0.00 0.00 3 L 8.37 4.13 0.00 1.67 1.58 0.91 0.61 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 4 Q 8.47 4.40 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 5 V 8.16 4.16 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 0.92 0.00 0.00 0.94 0.00 0.00 6 L 8.79 4.37 0.00 1.66 1.60 0.97 1.24 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 7 H 8.80 5.19 0.00 3.07 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.40 3.98 1.85 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 0.52 0.88 0.00 0.00 9 P 0.00 4.52 0.00 2.05 2.09 0.00 3.71 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 2.01 2.05 0.00 10 D 7.65 4.21 0.00 3.03 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.90 4.04 0.00 2.07 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 2.36 2.37 0.00 12 R 7.98 4.11 0.00 1.90 2.04 0.00 3.41 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 13 L 7.76 4.30 0.00 1.85 1.71 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.61 4.62 0.00 1.78 1.92 0.00 3.28 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 15 K 7.38 4.21 0.00 1.63 1.62 0.00 1.57 0.00 0.00 1.14 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.43 7.81 16 V 8.24 4.21 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 0.75 0.00 0.00 0.92 0.00 0.00 17 A 8.61 4.42 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 18 K 8.71 4.34 0.00 1.76 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 19 P 0.00 4.67 0.00 1.93 1.99 0.00 3.68 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 2.03 2.09 0.00 20 V 9.40 3.63 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 0.73 0.00 0.00 0.98 0.00 0.00 21 E 8.92 4.09 0.00 1.97 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 2.25 0.00 22 E 7.66 4.59 0.00 1.91 1.75 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 2.20 2.30 0.00 23 V 8.42 3.89 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 0.90 0.00 0.00 0.96 0.00 0.00 24 N 8.29 4.89 0.00 2.89 3.06 0.00 0.00 6.13 7.00 0.00 0.00 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 A 8.67 4.01 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 26 E 8.08 3.86 0.00 2.06 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 2.38 2.40 0.00 27 I 7.79 3.70 2.11 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 1.65 1.17 0.94 0.00 0.00 28 Q 8.25 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 29 R 7.96 3.96 0.00 2.07 2.03 0.00 3.11 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 30 I 8.06 3.69 2.08 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 1.41 0.67 0.90 0.00 0.00 31 V 7.91 3.59 2.34 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 1.32 0.00 0.00 1.06 0.00 0.00 32 D 8.47 4.53 0.00 2.98 2.78 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 33 D 8.14 4.64 0.00 2.86 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 34 M 8.46 3.99 0.00 1.81 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 35 F 8.37 4.02 0.00 3.39 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 36 E 8.29 4.11 0.00 2.26 2.25 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 2.39 2.44 0.00 37 T 8.24 4.08 4.34 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 1.28 0.00 0.00 38 M 7.93 3.87 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 39 Y 7.82 4.50 0.00 3.07 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 A 7.52 4.42 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.53 4.54 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 2.21 2.28 0.00 42 E 8.79 3.93 0.00 2.17 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 2.21 2.32 0.00 43 G 7.62 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.26 4.33 1.87 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 1.32 0.86 0.92 0.00 0.00 45 G 6.98 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 0.00 0.00 0.00 0.00 46 L 8.39 4.84 0.00 1.55 1.25 0.91 0.79 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 47 A 8.59 5.07 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 48 A 8.68 3.88 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 49 T 8.17 3.84 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 50 Q 8.11 4.24 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 51 V 7.31 4.83 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 1.09 0.00 0.00 0.94 0.00 0.00 52 D 7.66 4.25 0.00 2.79 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 53 I 7.55 4.30 1.93 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 1.27 0.88 0.89 0.00 0.00 54 H 8.48 4.95 0.00 3.15 3.26 0.00 5.75 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 55 Q 7.59 5.07 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.45 7.40 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 56 R 8.60 4.34 0.00 2.00 1.89 0.00 3.06 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 57 I 7.88 5.02 1.84 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 1.04 0.88 0.00 0.00 58 I 8.84 5.07 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 1.20 0.75 0.88 0.00 0.00 59 V 8.56 4.63 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 0.11 0.00 0.00 0.49 0.00 0.00 60 I 8.78 4.90 1.92 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 1.10 1.12 1.00 0.00 0.00 61 D 8.26 4.91 0.00 2.76 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 *67 D 8.66 4.64 0.00 2.82 2.78 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 68 E 7.73 4.70 0.00 1.91 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 2.20 2.29 0.00 69 R 8.33 4.74 0.00 1.61 1.50 0.00 2.98 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 70 L 8.91 4.64 0.00 1.82 1.82 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.67 4.88 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 1.01 0.00 0.00 1.22 0.00 0.00 72 L 9.23 4.84 0.00 1.64 1.57 1.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.61 4.69 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 1.26 0.80 0.93 0.00 0.00 74 N 8.78 4.22 0.00 2.81 2.84 0.00 0.00 7.07 8.19 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 75 P 0.00 4.34 0.00 2.15 2.02 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 76 E 8.22 4.64 0.00 2.04 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 2.16 2.19 0.00 77 L 8.59 4.31 0.00 1.67 1.56 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.89 4.56 0.00 1.75 1.66 0.88 0.75 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 79 E 7.99 4.95 0.00 1.87 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 2.27 2.25 0.00 80 K 8.40 5.03 0.00 1.69 1.74 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.43 7.81 81 S 8.95 4.51 0.00 3.89 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 82 G 9.23 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 83 E 8.30 4.80 0.00 1.90 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 2.19 2.30 0.00 84 T 8.30 4.43 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 85 G 8.24 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.31 4.31 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 1.30 0.78 0.88 0.00 0.00 87 E 8.56 4.55 0.00 1.81 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 2.24 2.29 0.00 88 E 8.60 4.51 0.00 1.28 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 2.02 2.18 0.00 89 G 8.13 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.72 4.68 0.00 3.52 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 91 L 8.43 4.15 0.00 1.68 1.71 0.89 0.88 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 92 S 8.00 4.70 0.00 3.97 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 93 I 7.08 4.41 2.08 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.26 0.94 0.00 0.00 94 P 0.00 4.05 0.00 2.18 2.03 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 95 E 8.95 3.83 0.00 2.16 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 2.22 2.33 0.00 96 Q 7.60 4.86 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 97 R 8.49 4.91 0.00 1.62 1.72 0.00 3.38 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.36 0.00 98 A 7.84 4.48 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 99 L 8.60 4.32 0.00 1.66 1.60 0.90 0.89 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 0.00 100 V 7.97 4.33 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 0.78 0.00 0.00 1.05 0.00 0.00 101 P 0.00 4.54 0.00 1.89 1.96 0.00 3.60 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 2.02 2.10 0.00 102 R 8.86 4.85 0.00 1.61 1.97 0.00 3.20 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 103 A 7.95 4.80 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 0.00 104 E 8.74 4.04 0.00 2.05 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 0.00 2.30 2.28 0.00 105 K 8.27 5.10 0.00 1.72 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 106 V 8.28 4.93 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 1.13 0.00 0.00 0.93 0.00 0.00 107 K 8.42 5.11 0.00 1.76 1.57 0.00 1.65 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.41 7.81 108 I 8.42 5.45 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.46 0.88 0.00 0.00 109 R 8.42 4.61 0.00 1.78 1.74 0.00 3.08 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 110 A 7.75 4.78 1.11 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 0.00 0.00 111 L 8.65 5.31 0.00 1.67 1.65 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.65 5.01 0.00 2.85 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 0.00 113 R 8.60 3.96 0.00 1.85 2.03 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 114 D 8.20 4.53 0.00 2.83 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 0.00 115 G 8.05 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 0.00 0.00 0.00 116 K 8.99 4.58 0.00 2.16 1.78 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 117 P 0.00 5.06 0.00 1.97 2.01 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 118 F 9.18 5.10 0.00 3.06 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 0.00 119 E 8.71 4.89 0.00 1.83 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 2.23 2.05 0.00 120 L 8.04 4.67 0.00 1.96 1.54 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.89 5.01 0.00 1.90 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 2.34 2.31 0.00 122 A 8.77 5.02 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 0.00 123 D 8.24 5.03 0.00 2.61 2.60 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 0.00 124 G 8.35 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 0.00 125 L 8.69 3.84 0.00 1.76 1.66 0.89 0.42 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 0.00 126 L 7.95 3.99 0.00 1.81 1.81 0.96 1.07 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 0.00 127 A 7.93 4.06 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 0.00 128 I 7.25 3.69 1.97 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 1.37 0.67 0.87 0.00 0.00 129 C 8.06 4.07 0.00 3.00 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 0.00 130 I 7.48 3.71 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.92 0.00 0.00 131 Q 7.86 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 132 H 8.42 4.19 0.00 3.37 3.51 0.00 5.78 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 0.00 133 E 8.65 4.04 0.00 2.00 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 2.64 2.48 0.00 134 M 8.49 4.23 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 135 D 8.32 4.46 0.00 2.93 2.94 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 0.00 136 H 8.02 4.12 0.00 3.30 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.73 4.22 0.00 1.83 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.45 4.20 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 0.71 0.00 0.00 1.04 0.00 0.00 139 G 7.84 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 0.00 140 K 7.98 4.46 0.00 1.88 1.68 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.35 7.81 141 L 8.43 4.74 0.00 1.46 1.32 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.97 4.53 0.00 3.39 3.52 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 0.00 143 M 6.94 4.03 0.00 1.53 2.10 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.19 0.00 144 D 7.92 4.23 0.00 2.29 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 4.19 0.00 3.13 3.04 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 0.00 146 L 7.38 4.48 0.00 1.73 1.67 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.27 4.36 0.00 4.05 4.01 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 0.00 0.00 0.00 0.00 148 P 0.00 4.23 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 149 L 7.84 3.97 0.00 1.69 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.91 3.93 0.00 2.06 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 151 Q 7.94 3.95 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 152 Q 8.13 3.99 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 153 R 8.01 3.92 0.00 2.02 1.99 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 154 I 7.57 3.71 2.04 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 1.57 0.95 0.87 0.00 0.00 155 R 8.04 4.01 0.00 2.00 1.96 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 156 Q 7.89 4.34 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 157 K 8.16 4.14 0.00 1.92 1.88 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 158 V 7.15 3.72 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 0.82 0.00 0.00 0.98 0.00 0.00 159 E 8.39 4.13 0.00 2.02 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 2.32 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.