NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6164 8.3649 120.2581 53.1701 41.1050 174.1647 6 F 4.7487 8.3704 125.1990 55.8773 40.5358 171.0935 7 E 3.9892 9.0473 124.2069 57.9611 30.9909 175.1760 8 E 3.8150 8.0556 124.2931 55.8195 27.2278 172.0208 9 K 4.6686 8.5899 123.7534 54.2037 35.4753 174.2968 10 M 4.5790 8.4658 126.3407 54.1728 32.4240 175.3940 11 I 4.0520 8.3099 127.4635 63.6197 37.4905 176.3725 12 L 4.6216 7.5562 119.3577 55.0106 43.4524 173.1310 13 I 5.8516 8.5681 119.8713 58.6661 41.0496 175.0504 14 R 4.6573 8.4711 120.4727 54.7831 33.2168 174.0520 15 R 4.4250 8.5510 122.6582 55.1915 30.0134 175.6089 16 T 4.4968 8.2400 118.0850 61.2196 71.4596 173.1322 17 A 4.4469 7.8010 119.6400 51.3623 21.6522 175.7813 18 R 4.6521 7.7852 115.4966 54.7800 33.4941 174.2963 19 M 4.7017 8.1149 119.0211 53.9745 34.5903 175.3761 20 Q 4.3491 8.3672 118.0351 55.1617 32.7410 172.7046 21 A 3.9967 8.7908 126.2783 54.3779 18.5376 176.3079 22 G 4.3386 9.4773 116.3987 45.2330 0.0000 173.7818 23 G 3.9972 7.9303 108.1517 44.4370 0.0000 170.9323 24 R 4.6126 8.4163 116.3311 54.4173 31.3545 176.4382 25 R 4.2535 8.0144 123.8494 55.7090 32.5341 173.6996 26 F 5.0576 7.9393 117.1747 56.3823 43.2200 174.0658 27 R 4.6391 7.5572 116.7014 56.7195 32.9223 173.5325 28 F 5.4310 8.5804 121.9175 55.6816 43.3577 174.1400 29 G 4.3219 9.0103 107.3996 44.4883 0.0000 172.0435 30 A 5.1174 7.8884 122.9538 50.3378 22.6360 175.2080 31 L 5.0820 8.7831 123.3921 54.4667 43.5062 176.5287 32 V 4.8270 8.8639 123.2857 61.2468 35.2534 174.6093 33 V 5.2087 8.5224 126.8771 61.1146 34.7631 174.4382 34 V 4.8037 7.9367 121.5940 61.9700 34.8506 172.5264 35 G 4.7354 8.9910 112.8743 45.8383 0.0000 173.1537 36 D 4.9455 8.9351 119.9150 52.6823 40.7344 176.9656 37 R 3.9515 8.1953 117.1341 57.7857 26.7200 176.3414 38 Q 4.5056 9.0570 114.1647 55.7827 29.2527 176.3901 39 G 4.0193 7.8782 109.0684 45.1303 0.0000 173.2392 40 R 4.8964 8.1965 118.5688 54.2215 32.6447 175.1391 41 V 5.2696 7.7324 117.2004 58.3489 36.2494 175.3037 42 G 4.2578 8.2902 109.0841 44.4963 0.0000 170.8702 43 L 5.2743 8.2007 125.7440 53.1523 45.0960 175.3770 44 G 4.3179 8.8666 111.8896 44.8014 0.0000 170.9952 45 F 5.5062 8.8593 126.6177 56.2221 41.4849 174.7334 46 G 3.9959 8.6824 113.5060 44.2234 0.0000 171.3288 47 K 5.7205 8.6154 124.0687 53.9481 34.9197 175.3688 48 A 4.6869 8.3621 123.8950 50.3345 22.3757 175.3088 49 P 4.5047 0.0000 0.0000 64.4162 31.8929 176.3296 50 E 4.3339 8.2793 118.7502 53.2156 33.1157 175.4163 51 V 3.2804 7.6305 124.1664 65.8360 31.4244 176.1847 52 P 4.1298 0.0000 0.0000 65.9184 31.1374 177.9610 53 L 3.8382 7.9869 116.3142 58.2243 41.5190 179.0990 54 A 3.9330 8.0509 119.8913 55.6740 18.4379 179.5940 55 V 3.5055 7.6439 115.3606 66.5139 31.5448 177.4742 56 Q 3.9358 8.0475 118.7147 59.6482 28.9139 178.5765 57 K 4.1119 8.6036 118.8914 59.8664 32.2414 178.7473 58 A 4.1621 8.3547 121.0574 55.4645 18.3184 179.7885 59 G 3.8338 8.1714 104.4636 47.2951 0.0000 175.0078 60 Y 4.3198 8.0186 121.1564 61.0899 38.9031 177.9535 61 Y 3.6754 8.1352 116.9433 60.6349 37.6873 178.0017 62 A 4.1152 7.8642 122.2550 54.8895 18.5895 179.7676 63 R 3.9864 8.4752 115.0309 59.0636 30.1310 179.2533 64 R 4.1037 7.5342 117.9025 58.0217 31.2968 176.4036 65 N 4.6927 8.5460 121.2374 51.6553 38.1185 172.5206 66 M 5.2007 7.9194 122.3658 52.9040 36.4162 174.4451 67 V 4.6022 8.4841 118.1534 59.8839 35.4325 174.4056 68 E 4.2299 8.8036 121.0979 56.6608 30.1023 176.5916 69 V 4.0832 9.4183 127.4982 59.9033 31.7145 174.7866 70 P 4.6349 0.0000 0.0000 62.1062 28.7903 176.6161 71 L 4.7574 7.4028 120.6477 56.7495 42.0613 176.1655 72 Q 5.2027 9.2147 126.0333 57.8889 31.3538 173.3093 73 N 4.2029 10.0904 118.7096 53.9304 36.8946 175.1464 74 G 4.0412 8.3141 106.3171 45.3097 0.0000 173.0989 75 T 4.9323 8.4802 116.2931 61.3468 68.5797 172.5848 76 I 4.8696 8.0098 120.1548 58.6019 40.6622 173.8736 77 P 4.3867 0.0000 0.0000 65.6574 31.3172 175.7908 78 H 4.9514 7.7177 111.5485 53.2334 31.7150 171.6147 79 E 4.8567 8.4489 117.4737 55.5880 31.2653 175.5799 80 I 4.6905 8.6309 113.5296 59.7482 41.3608 173.3050 81 E 5.6956 8.6921 122.9322 54.0883 32.4489 175.6805 82 V 4.4392 8.0425 121.9551 61.4978 35.1491 173.3587 83 E 4.7725 8.9518 127.6686 55.4912 30.9657 176.1281 84 F 4.5070 9.5095 128.1296 56.7257 39.4897 176.3730 85 G 3.7935 8.2199 117.3859 45.0669 0.0000 171.8587 86 A 4.3985 8.3829 124.1760 52.1368 21.5729 177.4976 87 S 5.3113 7.9413 112.5599 56.1847 64.9976 173.9766 88 K 5.1222 9.4952 126.9291 54.9934 35.3515 174.4913 89 I 5.1098 8.3861 122.7329 59.5495 42.0826 173.4449 90 V 4.7559 8.9063 128.9659 61.1305 33.8748 174.0764 91 L 4.9253 8.8710 128.2171 52.8642 44.2398 175.4651 92 K 4.8166 9.2831 126.1767 53.4900 35.1817 173.6467 93 P 4.6928 0.0000 0.0000 63.0379 31.7950 175.4940 94 A 4.9129 8.3874 123.6684 49.6077 21.7966 176.1032 95 A 4.1071 8.5104 121.9924 51.1755 19.1609 176.0780 96 P 4.9108 0.0000 0.0000 63.7254 32.1578 176.1385 97 G 3.6280 8.9819 110.2973 46.5274 0.0000 171.2682 98 T 4.3421 9.4705 114.1719 62.6166 72.4473 174.1474 99 G 4.1866 7.2005 105.0625 43.3861 0.0000 172.8854 100 V 4.2557 7.8704 122.2767 61.5262 31.1154 174.7592 101 I 4.3123 8.0778 120.6549 59.9802 38.5854 174.6137 102 A 4.5331 8.0830 127.7156 51.1410 22.4327 175.2064 103 G 3.7997 8.5485 107.9980 44.5440 0.0000 174.7098 104 A 3.9640 8.7526 120.6454 55.8915 18.0766 179.5888 105 V 3.5584 7.8993 116.1418 65.7386 31.6224 176.1578 106 P 4.2830 0.0000 0.0000 65.6696 31.1473 178.3821 107 R 3.8334 8.3130 118.6634 59.2050 29.9351 177.9126 108 A 3.9848 8.2032 120.0831 55.8022 18.0682 179.4361 109 I 3.7839 7.9410 117.9802 64.3986 37.4465 178.5209 110 L 4.0758 8.1556 119.7457 57.6712 41.4611 179.0167 111 E 4.0165 8.5559 120.5446 59.0260 29.2105 177.9047 112 L 4.2457 7.6101 115.3630 55.6557 41.5528 178.2233 113 A 4.2709 7.7531 120.8118 52.3558 18.3153 179.0233 114 G 3.8476 8.2949 105.5246 45.9297 0.0000 173.9652 115 V 4.7703 7.1773 117.4627 61.2703 33.0501 175.4855 116 T 4.4376 8.2323 116.3383 64.7944 72.6785 173.5231 117 D 5.0136 7.6970 123.0050 53.3630 42.2215 175.7012 118 I 4.3656 7.7249 118.3611 60.2047 42.4668 173.0527 119 L 4.6129 9.2511 131.9157 54.7708 42.8039 176.2471 120 T 5.6273 8.0068 111.7218 60.0785 72.5062 173.1556 121 K 4.5809 8.2296 122.4747 55.2635 35.6672 174.8729 122 E 4.7194 8.8492 126.9441 56.6410 30.4692 175.9198 123 L 4.4889 8.7810 121.3377 54.4806 46.7455 177.5633 124 G 3.8691 8.5645 108.6490 45.2109 0.0000 172.8578 125 S 4.0351 7.8902 113.5252 59.5524 62.5841 176.0297 126 R 4.3836 8.3872 126.0916 56.0458 30.5173 176.0119 127 N 4.2604 8.2840 117.6615 55.0496 39.6071 172.6042 128 P 3.7799 0.0000 0.0000 65.3332 31.7721 178.3422 129 I 3.4711 7.6914 117.6334 65.2795 37.7717 177.6805 130 N 4.3366 8.0419 116.9118 56.0932 38.5661 177.7309 131 I 3.7557 8.3887 121.8400 64.8040 37.3021 177.2305 132 A 3.8242 8.6794 120.6810 55.8644 17.9733 178.8107 133 Y 3.6677 8.4856 112.3158 60.8724 38.0519 179.3063 134 A 3.9903 7.7269 120.7239 55.5314 18.3494 179.4141 135 T 3.8313 8.1163 113.1595 68.1180 68.9387 175.7203 136 M 3.9309 8.1616 120.0854 57.2063 31.4906 178.1980 137 E 4.0239 8.0856 122.8511 60.0785 30.3880 179.3131 138 A 4.0776 8.4590 121.1081 55.5823 18.4126 178.9876 139 L 3.7662 8.8273 116.2929 58.2842 41.5659 180.7807 140 R 3.7590 7.1945 118.8314 59.2047 31.1452 177.7768 141 Q 4.4028 7.5410 115.1213 55.4009 29.1042 176.0111 142 L 4.6079 7.7161 120.5305 54.2851 42.7510 176.3937 143 R 4.7731 8.3818 118.9056 54.7505 34.4326 174.5792 144 T 4.6997 9.5931 110.1793 59.2125 71.7296 174.8517 145 K 3.6824 8.8168 123.4803 59.8621 32.3542 177.7888 146 A 4.1741 7.6965 120.0930 54.0735 17.7533 177.7915 147 D 4.4686 6.9879 122.5689 54.6839 40.2670 178.7894 148 V 3.7569 8.0188 121.3418 65.7275 31.5576 177.2297 149 E 4.0259 8.3497 117.2140 58.5468 29.3525 178.9185 150 R 3.8969 7.8601 119.7894 59.3332 30.1844 177.1910 151 L 4.2056 8.0452 117.5862 56.2181 42.5264 177.4884 152 R 4.6844 7.1717 118.9371 55.1971 31.2105 176.1907 153 K 4.0303 8.0269 123.3006 56.5840 31.1315 179.4868 154 G 4.0688 9.5106 116.4602 47.7141 0.0000 174.5865 *155 E 4.1319 7.9580 117.9514 56.0024 30.4399 177.7177 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 5 D 8.36 4.62 0.00 2.72 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 6 F 8.37 4.75 0.00 3.07 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 7 E 9.05 3.99 0.00 2.13 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 0.00 2.35 2.32 0.00 8 E 8.06 3.82 0.00 2.30 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 2.29 2.34 0.00 9 K 8.59 4.67 0.00 1.89 1.62 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 10 M 8.47 4.58 0.00 2.07 1.99 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 2.51 2.57 0.00 11 I 8.31 4.05 1.98 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 1.30 0.94 0.95 0.00 0.00 12 L 7.56 4.62 0.00 1.69 1.76 1.06 0.63 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 13 I 8.57 5.85 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 1.06 1.13 1.02 0.00 0.00 14 R 8.47 4.66 0.00 1.86 2.03 0.00 3.02 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 15 R 8.55 4.43 0.00 1.28 1.71 0.00 2.21 0.00 0.00 2.71 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.92 0.00 16 T 8.24 4.50 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 1.23 0.00 0.00 17 A 7.80 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.79 4.65 0.00 1.89 1.94 0.00 2.71 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 19 M 8.11 4.70 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 20 Q 8.37 4.35 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 21 A 8.79 4.00 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 22 G 9.48 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 0.00 0.00 0.00 0.00 23 G 7.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 4.61 0.00 1.39 1.74 0.00 3.05 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.00 25 R 8.01 4.25 0.00 1.84 1.76 0.00 3.06 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 26 F 7.94 5.06 0.00 2.87 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 27 R 7.56 4.64 0.00 1.89 1.71 0.00 3.14 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 28 F 8.58 5.43 0.00 2.94 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 29 G 9.01 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 30 A 7.89 5.12 1.22 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 0.00 0.00 0.00 31 L 8.78 5.08 0.00 1.80 1.70 0.98 0.68 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 32 V 8.86 4.83 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 1.00 0.00 0.00 0.96 0.00 0.00 33 V 8.52 5.21 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 0.73 0.00 0.00 0.91 0.00 0.00 34 V 7.94 4.80 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 0.74 0.00 0.00 0.99 0.00 0.00 35 G 8.99 4.74 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 0.00 0.00 0.00 36 D 8.94 4.95 0.00 2.95 3.32 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 37 R 8.20 3.95 0.00 2.04 2.15 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 38 Q 9.06 4.51 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 39 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 40 R 8.20 4.90 0.00 1.81 1.62 0.00 3.13 0.00 0.00 3.66 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 41 V 7.73 5.27 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 0.56 0.00 0.00 0.86 0.00 0.00 42 G 8.29 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 43 L 8.20 5.27 0.00 1.73 1.26 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.87 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 45 F 8.86 5.51 0.00 2.93 2.93 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 46 G 8.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.62 5.72 0.00 1.53 1.71 0.00 1.45 0.00 0.00 2.08 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 0.83 7.81 48 A 8.36 4.69 1.22 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 0.00 0.00 0.00 49 P 0.00 4.50 0.00 2.10 2.20 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 50 E 8.28 4.33 0.00 1.94 1.61 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 2.11 2.12 0.00 51 V 7.63 3.28 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 0.07 0.00 0.00 52 P 0.00 4.13 0.00 2.12 2.05 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 53 L 7.99 3.84 0.00 1.84 1.75 0.92 0.67 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 54 A 8.05 3.93 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 55 V 7.64 3.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 56 Q 8.05 3.94 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 57 K 8.60 4.11 0.00 2.12 2.30 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.28 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.62 1.75 7.81 58 A 8.35 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.17 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 60 Y 8.02 4.32 0.00 2.96 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 61 Y 8.14 3.68 0.00 3.01 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 62 A 7.86 4.12 1.50 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 0.00 0.00 63 R 8.48 3.99 0.00 2.04 2.12 0.00 3.32 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 64 R 7.53 4.10 0.00 1.57 1.92 0.00 3.03 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 65 N 8.55 4.69 0.00 2.73 2.75 0.00 0.00 7.05 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 7.92 5.20 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 67 V 8.48 4.60 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 0.82 0.00 0.00 0.90 0.00 0.00 68 E 8.80 4.23 0.00 1.99 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 0.00 2.26 2.30 0.00 69 V 9.42 4.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 70 P 0.00 4.63 0.00 2.23 2.09 0.00 3.84 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 2.00 0.00 71 L 7.40 4.76 0.00 1.66 1.73 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.21 5.20 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.20 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 73 N 10.09 4.20 0.00 2.83 2.90 0.00 0.00 7.44 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 74 G 8.31 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 75 T 8.48 4.93 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 1.30 0.00 0.00 76 I 8.01 4.87 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 1.46 0.79 0.91 0.00 0.00 77 P 0.00 4.39 0.00 2.38 2.21 0.00 3.73 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 2.11 2.02 0.00 78 H 7.72 4.95 0.00 3.23 3.26 0.00 5.51 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.45 4.86 0.00 1.96 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 2.22 2.36 0.00 80 I 8.63 4.69 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 1.16 0.46 0.82 0.00 0.00 81 E 8.69 5.70 0.00 1.85 1.88 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 2.21 2.11 0.00 82 V 8.04 4.44 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 1.07 0.00 0.00 0.95 0.00 0.00 83 E 8.95 4.77 0.00 1.89 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 2.28 2.31 0.00 84 F 9.51 4.51 0.00 3.05 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 85 G 8.22 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 86 A 8.38 4.40 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 87 S 7.94 5.31 0.00 3.90 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 0.00 88 K 9.50 5.12 0.00 1.76 1.75 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.37 7.81 89 I 8.39 5.11 1.89 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 1.11 1.31 0.98 0.00 0.00 90 V 8.91 4.76 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 91 L 8.87 4.93 0.00 1.54 1.52 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.28 4.82 0.00 1.72 1.60 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.35 7.81 93 P 0.00 4.69 0.00 2.11 2.20 0.00 3.77 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 1.99 1.98 0.00 94 A 8.39 4.91 1.22 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 0.00 0.00 0.00 95 A 8.51 4.11 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 96 P 0.00 4.91 0.00 2.05 2.03 0.00 3.82 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 97 G 8.98 3.63 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 0.00 0.00 0.00 98 T 9.47 4.34 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 1.21 0.00 0.00 99 G 7.20 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 0.00 0.00 0.00 0.00 100 V 7.87 4.26 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 0.84 0.00 0.00 1.03 0.00 0.00 101 I 8.08 4.31 1.87 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 1.16 0.98 0.91 0.00 0.00 102 A 8.08 4.53 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 0.00 103 G 8.55 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 0.00 104 A 8.75 3.96 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 0.00 105 V 7.90 3.56 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 1.10 0.00 0.00 0.95 0.00 0.00 106 P 0.00 4.28 0.00 2.30 2.29 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 107 R 8.31 3.83 0.00 1.93 2.03 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 8.20 3.98 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 0.00 109 I 7.94 3.78 1.98 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 1.48 1.22 0.86 0.00 0.00 110 L 8.16 4.08 0.00 1.88 1.72 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.56 4.02 0.00 2.15 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 2.31 2.35 0.00 112 L 7.61 4.25 0.00 1.72 1.69 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.75 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.29 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 0.00 0.00 0.00 115 V 7.18 4.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.98 0.00 0.00 116 T 8.23 4.44 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 0.00 117 D 7.70 5.01 0.00 2.60 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 0.00 118 I 7.72 4.37 1.86 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 1.22 0.97 0.91 0.00 0.00 119 L 9.25 4.61 0.00 1.68 1.56 0.92 -0.44 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 0.00 120 T 8.01 5.63 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 1.31 0.00 0.00 121 K 8.23 4.58 0.00 1.85 1.64 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.54 7.81 122 E 8.85 4.72 0.00 1.90 1.87 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 2.32 2.35 0.00 123 L 8.78 4.49 0.00 1.56 1.49 0.92 0.87 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 0.00 124 G 8.56 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 0.00 125 S 7.89 4.04 0.00 3.89 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 0.00 126 R 8.39 4.38 0.00 1.84 1.98 0.00 3.28 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 127 N 8.28 4.26 0.00 2.77 2.75 0.00 0.00 7.23 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 0.00 128 P 0.00 3.78 0.00 2.23 1.95 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 129 I 7.69 3.47 1.88 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.54 0.00 0.00 130 N 8.04 4.34 0.00 2.77 3.04 0.00 0.00 6.94 6.92 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 0.00 131 I 8.39 3.76 2.04 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 1.61 0.85 0.92 0.00 0.00 132 A 8.68 3.82 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.49 3.67 0.00 1.94 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 0.00 0.00 0.00 134 A 7.73 3.99 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 0.00 135 T 8.12 3.83 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 1.18 0.00 0.00 136 M 8.16 3.93 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 137 E 8.09 4.02 0.00 2.14 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 0.00 2.39 2.63 0.00 138 A 8.46 4.08 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 0.00 139 L 8.83 3.77 0.00 1.76 1.66 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.19 3.76 0.00 1.80 2.07 0.00 3.40 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 141 Q 7.54 4.40 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.76 0.00 142 L 7.72 4.61 0.00 1.70 1.64 0.91 0.82 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 0.00 143 R 8.38 4.77 0.00 1.60 1.72 0.00 3.30 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 144 T 9.59 4.70 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 1.24 0.00 0.00 145 K 8.82 3.68 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.42 7.81 146 A 7.70 4.17 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 0.00 147 D 6.99 4.47 0.00 2.88 2.82 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 0.00 148 V 8.02 3.76 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 1.11 0.00 0.00 0.95 0.00 0.00 149 E 8.35 4.03 0.00 2.20 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 0.00 2.71 2.31 0.00 150 R 7.86 3.90 0.00 1.84 2.04 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 8.05 4.21 0.00 1.76 1.70 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.17 4.68 0.00 1.74 1.89 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 153 K 8.03 4.03 0.00 1.74 1.31 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.38 7.81 154 G 9.51 4.07 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 0.00 0.00 0.00 *155 E 7.96 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.