NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2743 8.1927 115.4110 58.0652 64.2387 172.4491 3 V 3.8075 8.3626 125.2845 61.9673 31.0082 173.3315 4 Q 4.6158 8.9832 127.0684 55.7463 32.4496 175.3885 5 V 4.8519 7.9125 119.0313 60.8505 35.0129 174.2068 6 G 4.5792 9.0441 115.0829 43.9638 0.0000 172.4005 7 V 4.9561 9.2661 127.5845 61.5396 33.2772 174.4928 8 I 5.5331 8.2064 122.4098 58.1586 40.6099 175.9342 *10 G 4.1123 8.6869 107.5130 46.8452 0.0000 172.9427 11 S 4.7240 8.1079 112.7305 55.9045 66.1983 175.7291 12 K 4.0783 8.6101 120.2275 59.3809 31.4493 179.2426 13 S 4.3243 7.5348 112.2303 60.3294 63.1688 175.2946 14 D 4.6013 8.1799 122.5358 55.5524 40.6007 177.8941 15 W 4.6316 8.2509 129.6525 60.6641 30.7345 177.6263 16 S 4.0558 8.1020 112.6214 61.2087 62.6668 174.8207 17 T 4.1392 7.5627 118.3810 63.7441 68.3354 176.0886 *19 K 3.0384 7.9470 125.0727 55.9384 33.2982 177.6816 20 E 3.8709 7.6194 117.9129 58.7800 29.1921 178.8610 21 C 4.0445 7.7032 118.6029 62.6978 31.7925 175.1048 22 C 3.4255 7.7804 117.7574 62.6271 27.6197 175.5306 23 D 4.3748 8.0393 120.4239 57.6617 40.4392 179.1823 24 I 3.6613 7.2974 119.2224 64.2135 37.0373 178.4471 25 L 3.9080 7.6728 119.8482 57.8203 41.4523 179.1781 26 D 4.5297 8.4825 119.1452 57.7935 40.6290 178.8440 27 N 4.4520 8.2079 115.4835 55.9456 38.6095 176.5802 28 L 4.4039 7.9855 117.8141 53.9670 41.9753 176.9378 29 G 3.9499 7.7235 106.7989 46.5647 0.0000 173.4533 30 I 4.3476 7.8246 120.5850 59.2473 38.5471 176.4512 31 G 4.3511 8.9697 114.6683 46.2571 0.0000 171.8236 32 Y 6.1510 8.1769 120.4740 56.1708 41.3843 173.4024 33 E 4.9139 9.0106 117.1902 54.5341 33.2829 174.1028 34 C 5.5499 8.7871 116.1807 56.6391 32.1436 172.7090 35 E 4.6169 9.2440 123.2951 54.4515 33.4073 174.0131 36 V 4.1850 8.2899 126.1250 62.0829 32.0122 175.3905 37 V 4.2258 8.1624 127.9832 61.1538 34.5146 174.0878 38 S 4.7744 8.6331 123.8377 56.6088 63.0094 174.7492 39 A 4.0312 8.6681 131.2972 55.2121 18.4279 177.7231 40 H 4.6962 7.9900 111.2039 57.3173 29.6613 176.4212 41 R 4.3592 8.2838 117.5401 57.0640 31.6053 176.6087 42 T 4.7374 7.8832 107.5314 59.6068 68.5247 173.2016 43 P 4.3720 0.0000 0.0000 66.6696 32.2688 178.2025 44 D 4.3707 8.0975 118.5531 57.0828 41.0408 179.3915 45 K 4.3093 7.6135 117.5636 56.7103 31.7412 178.5429 *47 F 4.7271 8.2733 117.0362 57.3025 41.0261 177.2460 48 D 4.4455 8.6198 120.5304 57.4490 40.0869 178.1455 49 Y 3.8984 8.5639 120.1835 60.7278 38.6122 178.1806 50 A 4.0699 8.1033 119.6228 55.1992 18.6598 178.7666 51 E 4.0308 8.4215 116.6658 59.4818 29.9752 179.0072 52 T 4.4203 7.8607 107.1136 61.6531 69.4692 176.1655 53 A 3.7273 7.3312 124.5639 55.5589 18.3457 179.5049 54 K 4.0023 7.9257 117.1962 59.6706 32.1959 178.6210 55 E 4.1100 8.0106 115.5679 58.7046 29.8142 178.0222 56 R 4.2481 7.7144 117.3209 56.3270 30.3920 177.1152 57 G 4.0149 7.8989 107.9786 44.8726 0.0000 174.4283 58 L 4.2954 7.4586 119.6593 54.9420 42.1171 176.8626 59 K 4.5611 8.9680 121.1271 56.9487 34.5522 176.8895 60 V 4.7479 7.6556 118.2797 61.2153 35.4988 173.7478 61 I 5.0981 8.7139 127.2156 59.6221 40.2958 174.4315 62 I 4.9169 8.9803 127.8919 59.6027 39.4437 174.3550 63 A 5.1954 9.4296 129.8504 49.9197 21.6529 174.8804 64 G 4.5144 8.5015 109.5194 44.5773 0.0000 172.2798 65 A 4.6980 8.4884 123.4096 51.0748 23.4037 174.9080 66 G 4.5153 8.1449 105.6710 44.0034 0.0000 175.1885 67 G 3.9156 8.8049 107.8038 45.9016 0.0000 176.8255 68 A 4.2759 8.5166 122.9298 51.8144 15.9802 175.3217 69 A 4.3966 8.0732 122.3310 51.6097 18.1678 176.9188 70 H 4.8653 8.3740 118.7000 56.9686 30.7233 177.3350 71 L 3.8341 8.1609 120.8421 57.7654 42.2762 176.1819 72 P 4.4174 0.0000 0.0000 65.7490 31.5962 179.7121 73 G 3.4739 7.5896 104.0865 46.1834 0.0000 175.3833 *75 V 3.9201 7.9819 121.0859 62.4733 33.0958 177.4570 76 A 3.9980 7.9245 120.9950 55.0091 18.2750 178.5835 77 A 4.1060 7.8482 117.6685 54.1588 18.4760 178.1615 78 K 4.3757 7.6730 112.8026 56.0752 33.2813 175.7712 79 T 4.6614 7.4240 112.5351 60.3740 70.3680 173.5257 80 T 4.2458 8.3505 114.9296 62.4287 69.6214 175.0681 81 L 4.3925 7.5918 122.9023 53.7455 42.7768 175.2169 82 P 4.3899 0.0000 0.0000 63.3449 32.4352 174.9596 83 V 4.9674 8.5374 123.1983 61.0836 34.3336 173.7262 84 L 5.1330 9.5984 128.9979 53.0997 44.3023 175.4615 85 G 4.3723 9.5488 111.6328 44.4796 0.0000 172.2705 86 V 4.5275 8.7482 126.4310 60.4340 33.6676 173.0574 87 P 4.7870 0.0000 0.0000 62.5620 32.1897 175.8133 88 V 4.2262 8.4615 126.0819 61.4836 32.5508 175.8158 89 K 4.0576 8.6957 129.2735 56.4243 32.7489 175.9781 90 S 4.8073 8.5061 120.8339 56.4512 64.9366 175.3169 91 S 4.1299 8.6484 117.9848 61.6597 63.2219 175.9023 92 T 4.0492 8.0265 110.0973 64.1328 69.0333 175.7785 93 L 4.6124 7.8052 120.8572 53.1694 42.1143 176.1553 94 N 4.2946 8.8166 114.1794 54.4040 36.7236 175.6179 95 G 3.9761 8.3744 104.1081 46.3150 0.0000 176.4643 96 Q 3.9758 8.3507 120.8486 58.6591 28.5061 178.1386 97 D 4.3390 8.0517 119.6782 56.7240 39.1777 178.3936 98 S 4.3047 8.0859 118.0601 60.2097 62.7975 176.3897 99 L 4.0021 8.1669 122.8161 58.3843 41.7764 179.1009 100 L 4.0449 7.8196 118.5298 57.8852 41.3098 179.7209 101 S 4.2412 8.1713 114.1377 60.6224 62.7261 175.8582 102 I 4.2172 7.0864 120.1993 63.2480 37.9848 178.0522 103 V 3.9009 7.8410 120.1411 62.5878 31.7818 176.6505 104 Q 4.0782 7.2446 118.5172 54.5450 29.2795 173.6382 *106 P 4.1362 0.0000 0.0000 61.5784 32.6789 175.6927 107 A 4.0932 8.4050 122.4938 53.5344 18.6715 176.7598 108 G 3.8162 8.4144 113.0005 45.8102 0.0000 174.0386 109 I 4.4083 7.1479 120.8013 58.6594 38.9644 172.9313 110 P 4.5109 0.0000 0.0000 62.0307 32.3412 176.1009 111 V 4.3911 7.9685 119.1627 60.9170 34.1890 174.6107 112 A 3.9659 8.5609 130.4931 52.1495 19.2200 175.9678 113 T 4.7583 7.9768 119.3080 62.2853 71.0906 174.2474 114 F 4.8425 8.3180 123.6407 54.8656 42.6217 175.0106 115 A 4.1406 8.6595 121.6697 52.2656 18.6649 177.1063 116 I 4.0831 8.0944 121.3384 62.7558 37.3359 174.9226 117 G 3.7794 8.9473 121.4678 45.5212 0.0000 174.9740 *119 A 4.2315 8.0476 119.2024 51.3909 21.3428 179.6317 120 G 4.2086 8.2952 103.1376 47.2686 0.0000 175.5234 121 A 3.9121 8.0628 123.1406 54.8808 18.4222 179.8144 122 K 3.7558 7.8693 116.3034 59.8723 32.2158 179.3019 123 N 4.2414 8.2025 116.2598 55.7366 38.2893 177.2586 124 A 2.9212 7.8866 122.6455 54.7933 18.4214 179.4559 125 A 3.7815 7.4266 118.7140 55.4409 18.3382 179.9732 126 L 3.7609 7.6678 117.4134 57.6568 41.5882 179.5528 127 F 4.0575 8.5266 121.0705 60.8826 39.2656 177.1279 128 A 3.9840 8.2809 120.5318 55.1465 18.1852 179.3273 129 A 3.9156 8.0157 119.5005 55.4055 18.1434 180.0329 130 S 4.0380 7.4075 111.8428 61.2699 63.1644 176.5478 131 I 3.6932 7.2398 122.8546 63.9846 37.2175 177.6595 132 L 4.3670 7.8472 117.9814 55.4719 41.6584 178.8729 133 Q 3.9577 7.8448 118.6367 59.4376 28.3292 177.5677 134 H 4.0255 8.3535 118.8707 59.7282 29.6583 176.5945 135 T 4.1942 7.7903 116.5901 64.5375 68.7786 174.7289 136 D 4.6899 7.6430 120.1872 51.5083 44.0924 176.0721 137 I 3.8038 8.4546 127.5505 64.3508 37.0579 178.1080 138 N 4.3430 8.6159 117.8022 56.3122 38.2820 177.4921 139 I 3.7200 7.6267 120.5915 64.1397 37.2696 178.1190 140 A 4.0785 7.9808 121.7251 54.9194 18.1760 179.3686 141 K 3.7903 8.3198 118.1800 59.8652 32.2193 178.8160 142 A 4.0170 8.1661 120.8988 54.9818 18.2591 179.3862 143 L 3.8769 8.2147 118.7912 58.2453 42.2210 178.9940 144 A 4.0308 8.1882 120.8338 55.2158 18.2559 179.2703 145 E 3.9142 8.4809 117.9299 59.1976 29.7061 178.6175 146 F 3.9950 8.4804 120.9195 61.4468 39.4329 177.4075 147 R 3.9697 8.2473 117.2680 59.2406 29.8560 178.7051 148 A 4.0049 8.0364 120.5701 55.2628 18.3222 179.3039 149 E 3.8282 8.2909 117.9176 59.4644 29.8322 179.1035 150 Q 3.9686 7.8570 117.6841 59.3756 28.5547 178.7285 151 T 3.9735 7.9973 117.7603 66.4167 68.4807 176.5198 152 R 3.8776 8.1526 120.8111 59.5840 29.8440 178.1010 153 F 4.1327 8.0141 119.0914 61.3115 39.4278 177.0773 154 V 3.6097 7.5238 116.3148 65.9782 31.2536 178.1566 155 L 4.0040 8.1385 117.6364 57.3166 41.4974 178.5474 156 E 4.3232 8.2912 116.8154 56.4887 30.9957 175.8909 157 N 4.9823 7.3549 115.4390 51.4409 39.0167 172.9641 158 P 4.1755 0.0000 0.0000 65.2620 32.2862 176.7294 159 D 4.5385 7.8107 119.0756 52.2875 40.8561 174.0230 160 P 4.4010 0.0000 0.0000 64.1852 31.8752 176.8987 161 R 4.2736 8.0019 118.5298 56.1088 30.8738 176.0998 162 E 4.1803 8.2885 119.1783 56.7164 29.7690 174.8387 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 S 8.19 4.27 0.00 4.02 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 3 V 8.36 3.81 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 0.89 0.00 0.00 4 Q 8.98 4.62 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 5 V 7.91 4.85 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 1.04 0.00 0.00 0.97 0.00 0.00 6 G 9.04 4.58 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 0.00 0.00 0.00 7 V 9.27 4.96 2.33 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 1.14 0.00 0.00 0.92 0.00 0.00 8 I 8.21 5.53 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.33 0.38 0.00 0.00 *10 G 8.69 4.11 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 0.00 11 S 8.11 4.72 0.00 4.03 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 12 K 8.61 4.08 0.00 1.83 1.93 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 13 S 7.53 4.32 0.00 4.18 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 14 D 8.18 4.60 0.00 2.91 2.80 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 15 W 8.25 4.63 0.00 3.31 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 16 S 8.10 4.06 0.00 3.99 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 17 T 7.56 4.14 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 1.14 0.00 0.00 *19 K 7.95 3.04 0.00 0.79 1.02 0.00 1.22 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.87 7.81 20 E 7.62 3.87 0.00 2.03 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 2.14 2.34 0.00 21 C 7.70 4.04 0.00 2.89 2.79 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 22 C 7.78 3.43 0.00 3.10 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 23 D 8.04 4.37 0.00 2.76 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 24 I 7.30 3.66 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.61 0.00 0.00 25 L 7.67 3.91 0.00 1.36 1.68 0.55 1.02 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 26 D 8.48 4.53 0.00 2.98 2.81 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 27 N 8.21 4.45 0.00 2.84 2.95 0.00 0.00 7.13 8.17 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 28 L 7.99 4.40 0.00 1.59 1.68 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.72 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 30 I 7.82 4.35 1.92 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 1.17 0.79 0.96 0.00 0.00 31 G 8.97 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.18 6.15 0.00 3.10 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 33 E 9.01 4.91 0.00 2.07 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 2.37 2.45 0.00 34 C 8.79 5.55 0.00 3.07 3.22 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 35 E 9.24 4.62 0.00 2.00 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 2.07 2.20 0.00 36 V 8.29 4.19 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 0.78 0.00 0.00 0.85 0.00 0.00 37 V 8.16 4.23 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 0.87 0.00 0.00 0.53 0.00 0.00 38 S 8.63 4.77 0.00 4.03 3.77 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 39 A 8.67 4.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.99 4.70 0.00 3.16 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.28 4.36 0.00 1.77 1.98 0.00 3.11 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 42 T 7.88 4.74 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 1.21 0.00 0.00 43 P 0.00 4.37 0.00 2.04 2.32 0.00 3.82 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 1.92 1.96 0.00 44 D 8.10 4.37 0.00 2.72 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 45 K 7.61 4.31 0.00 1.88 1.94 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.49 7.81 *47 F 8.27 4.73 0.00 3.24 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.62 4.45 0.00 2.95 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 49 Y 8.56 3.90 0.00 3.15 3.01 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 50 A 8.10 4.07 1.31 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 0.00 0.00 0.00 51 E 8.42 4.03 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 52 T 7.86 4.42 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 53 A 7.33 3.73 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 54 K 7.93 4.00 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 55 E 8.01 4.11 0.00 2.14 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 2.45 2.36 0.00 56 R 7.71 4.25 0.00 1.72 1.94 0.00 3.03 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 57 G 7.90 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 0.00 0.00 0.00 58 L 7.46 4.30 0.00 1.77 1.63 0.87 0.82 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 59 K 8.97 4.56 0.00 1.58 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.50 7.81 60 V 7.66 4.75 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 1.09 0.00 0.00 0.98 0.00 0.00 61 I 8.71 5.10 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 1.10 0.00 0.00 62 I 8.98 4.92 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.89 0.00 0.00 63 A 9.43 5.20 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 64 G 8.50 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.49 4.70 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 66 G 8.14 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 67 G 8.80 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 68 A 8.52 4.28 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.07 4.40 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.37 4.87 0.00 3.16 3.33 0.00 5.66 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 71 L 8.16 3.83 0.00 1.56 1.70 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.42 0.00 2.23 2.11 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 73 G 7.59 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 0.00 0.00 0.00 *75 V 7.98 3.92 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 1.05 0.00 0.00 1.04 0.00 0.00 76 A 7.92 4.00 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 77 A 7.85 4.11 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 78 K 7.67 4.38 0.00 1.48 1.52 0.00 1.32 0.00 0.00 0.80 0.00 0.00 2.48 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.77 0.21 7.81 79 T 7.42 4.66 4.40 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 1.30 0.00 0.00 80 T 8.35 4.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 81 L 7.59 4.39 0.00 1.60 1.67 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.39 0.00 2.22 2.29 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.03 0.00 83 V 8.54 4.97 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 1.04 0.00 0.00 84 L 9.60 5.13 0.00 1.67 1.86 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.55 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 86 V 8.75 4.53 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 1.00 0.00 0.00 0.95 0.00 0.00 87 P 0.00 4.79 0.00 2.12 1.95 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 88 V 8.46 4.23 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 0.76 0.00 0.00 0.99 0.00 0.00 89 K 8.70 4.06 0.00 1.75 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 90 S 8.51 4.81 0.00 4.03 3.96 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 0.00 0.00 0.00 91 S 8.65 4.13 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.03 4.05 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 93 L 7.81 4.61 0.00 1.84 1.67 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.82 4.29 0.00 2.78 2.86 0.00 0.00 6.91 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 95 G 8.37 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.35 3.98 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 97 D 8.05 4.34 0.00 3.05 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 98 S 8.09 4.30 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.17 4.00 0.00 1.80 1.87 0.89 0.68 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 0.00 100 L 7.82 4.04 0.00 1.77 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.17 4.24 0.00 4.08 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 0.00 102 I 7.09 4.22 1.86 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 1.59 0.60 0.90 0.00 0.00 103 V 7.84 3.90 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 1.03 0.00 0.00 0.84 0.00 0.00 104 Q 7.24 4.08 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 *106 P 0.00 4.14 0.00 2.19 2.00 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 107 A 8.41 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.41 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.15 4.41 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 1.34 0.96 0.92 0.00 0.00 110 P 0.00 4.51 0.00 2.16 2.03 0.00 3.70 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 1.98 1.94 0.00 111 V 7.97 4.39 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 0.81 0.00 0.00 0.93 0.00 0.00 112 A 8.56 3.97 0.99 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 0.00 0.00 113 T 7.98 4.76 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 1.14 0.00 0.00 114 F 8.32 4.84 0.00 2.93 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.66 4.14 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 0.00 116 I 8.09 4.08 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 0.58 0.91 0.00 0.00 117 G 8.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *119 A 8.05 4.23 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 0.00 120 G 8.30 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 0.00 0.00 0.00 0.00 121 A 8.06 3.91 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 0.00 122 K 7.87 3.76 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 123 N 8.20 4.24 0.00 2.76 2.77 0.00 0.00 6.96 7.26 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 0.00 124 A 7.89 2.92 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 0.00 125 A 7.43 3.78 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 0.00 126 L 7.67 3.76 0.00 1.70 1.57 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.53 4.06 0.00 2.93 2.91 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 0.00 128 A 8.28 3.98 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 0.00 129 A 8.02 3.92 1.29 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 0.00 0.00 0.00 130 S 7.41 4.04 0.00 3.80 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 0.00 131 I 7.24 3.69 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.34 0.90 0.00 0.00 132 L 7.85 4.37 0.00 1.67 1.68 0.93 0.79 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 0.00 133 Q 7.84 3.96 0.00 2.25 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 134 H 8.35 4.03 0.00 3.12 3.40 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.79 4.19 4.50 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 1.23 0.00 0.00 136 D 7.64 4.69 0.00 2.54 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.45 3.80 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 1.62 0.79 0.91 0.00 0.00 138 N 8.62 4.34 0.00 2.89 2.87 0.00 0.00 6.90 6.89 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 0.00 139 I 7.63 3.72 1.98 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 1.57 0.57 0.89 0.00 0.00 140 A 7.98 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 0.00 141 K 8.32 3.79 0.00 2.02 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 142 A 8.17 4.02 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 0.00 143 L 8.21 3.88 0.00 1.73 1.67 0.83 1.07 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 0.00 144 A 8.19 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.48 3.91 0.00 2.18 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 0.00 2.33 2.38 0.00 146 F 8.48 3.99 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.25 3.97 0.00 2.16 2.02 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 148 A 8.04 4.00 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 0.00 149 E 8.29 3.83 0.00 2.04 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 2.14 2.25 0.00 150 Q 7.86 3.97 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 151 T 8.00 3.97 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 R 8.15 3.88 0.00 2.03 2.09 0.00 3.23 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 153 F 8.01 4.13 0.00 2.98 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 0.00 154 V 7.52 3.61 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 0.95 0.00 0.00 0.98 0.00 0.00 155 L 8.14 4.00 0.00 1.59 1.70 0.92 0.86 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 0.00 156 E 8.29 4.32 0.00 1.94 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 2.27 2.40 0.00 157 N 7.35 4.98 0.00 2.23 2.39 0.00 0.00 6.98 9.20 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 0.00 158 P 0.00 4.18 0.00 2.13 2.13 0.00 3.74 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 1.94 1.90 0.00 159 D 7.81 4.54 0.00 2.62 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 0.00 160 P 0.00 4.40 0.00 2.20 2.13 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 161 R 8.00 4.27 0.00 1.89 1.89 0.00 3.23 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 162 E 8.29 4.18 0.00 1.85 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 0.00 2.18 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.