NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6506 8.2233 120.4241 54.6917 42.9145 173.9893 3 Y 4.8809 8.3192 118.2656 56.8930 42.8633 170.2647 4 E 4.7480 10.1161 121.0097 54.8597 32.5081 175.3615 5 I 4.7888 8.3980 124.8459 59.2131 40.2171 174.4784 6 L 4.6770 8.7449 129.4203 53.1761 44.4392 174.7793 7 F 5.3016 8.8490 124.5116 55.7551 41.3607 174.8496 8 S 4.8873 9.2957 117.6927 56.7009 65.1111 174.4203 9 D 4.5852 9.1259 125.6217 55.8268 41.0419 176.3809 10 E 4.2655 8.2048 121.3096 56.4752 30.3189 176.1961 11 T 4.7937 8.2632 114.2081 60.9567 71.4179 173.2111 12 M 4.8427 8.7640 121.5348 54.6888 37.7450 173.9468 13 N 5.9186 8.6082 117.4945 51.6841 39.2204 175.6150 14 Y 2.5573 8.0693 117.9870 60.1644 38.5731 177.7481 15 A 3.7682 7.7969 121.0479 55.4281 18.5030 179.2307 16 D 4.3150 8.7244 117.4181 57.3071 40.8118 178.9562 17 A 4.0602 7.8793 121.6214 54.8707 18.2679 179.8479 18 G 3.3940 7.5959 104.1319 48.3518 0.0000 176.0662 19 T 3.8485 7.7243 118.5139 66.1325 67.4309 176.0144 20 Y 3.9896 8.3727 121.8609 61.0598 38.8229 177.8270 21 C 4.5364 8.4310 117.2242 60.1574 41.3156 176.0211 22 Q 4.2314 8.5454 121.3896 58.4246 28.1190 179.1132 23 S 4.2193 8.2053 113.8703 60.4172 63.0145 175.5980 24 R 4.4177 6.9887 120.5615 55.2806 30.1299 176.6015 25 G 3.8612 7.9449 106.6190 46.1773 0.0000 172.9691 26 M 5.1121 8.0158 119.4568 53.1887 36.3896 174.0470 27 A 4.7370 8.7131 119.2418 50.0458 23.1566 175.7694 28 L 4.3777 8.6816 122.0826 55.2815 42.7842 177.2142 29 V 3.3524 8.6678 125.8715 63.2055 31.7247 175.2925 30 S 4.4208 8.9853 118.4730 58.0859 69.0827 175.9322 31 S 3.7822 8.0215 115.9112 60.4751 63.0440 176.5407 32 A 3.3782 8.4954 124.3126 54.6286 17.6623 179.1758 33 M 3.9832 7.3043 116.0580 57.2332 32.0576 177.8446 34 R 4.3800 7.1298 116.4854 54.7686 30.8200 175.2013 35 D 4.7360 7.1865 120.5158 52.2731 41.7827 176.6938 36 S 4.1303 8.9368 122.1075 62.2217 63.2397 176.9850 37 T 3.7664 8.1474 117.2433 66.6132 68.3996 176.6702 38 M 4.0903 8.3039 120.8249 58.3836 31.9778 179.2683 39 V 3.6595 8.1432 119.7105 64.7621 31.4417 178.6919 40 K 4.0731 7.7059 118.6393 58.9555 32.0003 179.2664 41 A 4.0107 7.9996 121.1831 55.1393 18.3269 179.6555 42 I 3.9155 8.3178 118.6341 64.8434 37.2360 178.8177 43 L 4.1920 8.8264 120.9063 56.9034 40.8437 179.4255 44 A 3.9952 8.1769 121.3162 54.7968 18.2965 179.5318 45 F 3.8164 8.1158 119.1415 61.6806 39.2016 177.6894 46 T 3.9460 7.9851 109.3979 64.5040 68.2053 175.9724 47 E 3.9056 8.0947 121.7975 59.1432 29.7153 178.7000 48 V 3.6340 7.0659 115.9328 66.0158 31.4455 177.8720 49 K 4.0958 7.9381 118.2447 57.2407 31.6214 178.0671 50 G 3.9122 8.4433 106.1071 46.8960 0.0000 172.4159 51 H 5.0827 7.5852 111.5798 53.2677 32.8582 173.3010 52 D 5.0594 8.4857 118.9804 54.6021 42.2049 175.4503 53 Y 5.0276 8.7820 118.9884 55.9308 42.2790 175.0835 54 W 5.0644 9.4356 123.2790 57.0051 30.5936 175.7049 55 V 4.7967 8.8965 115.2253 58.8673 35.2929 176.4415 56 G 4.3153 9.4363 110.7990 45.3615 0.0000 173.0057 57 A 5.4687 8.0998 122.0408 50.7949 23.7674 176.2958 58 D 4.9021 8.8259 119.0330 53.0302 43.5333 175.5986 59 N 4.8548 8.6463 113.5163 52.5032 37.3549 176.8646 60 L 4.0765 8.1373 121.2945 58.1877 41.9524 178.6902 61 Q 4.0712 8.1627 118.6871 58.7750 29.1676 176.1832 62 D 4.5220 7.9791 113.7424 53.1033 41.9023 177.5935 63 G 3.7897 8.5645 110.6009 44.7000 0.0000 174.9811 64 A 3.5033 7.7106 121.6234 52.7646 17.3290 178.1740 65 Y 4.7213 8.1890 109.5956 60.2425 38.7969 176.5137 66 N 4.7563 7.5387 116.8046 52.0235 37.6294 175.5489 67 F 4.4849 7.8141 118.9599 57.5171 41.0044 175.7257 68 L 5.2708 9.1041 123.0508 52.4992 45.4616 176.4138 69 W 4.8680 9.4060 123.4537 56.6175 29.8540 177.3835 70 N 4.5134 9.5184 120.9259 55.9512 38.1434 175.7137 71 D 4.7266 8.3514 116.6244 53.0138 39.5680 177.5611 72 G 4.0136 8.3851 108.2769 45.6944 0.0000 174.3544 73 V 4.0698 7.5296 119.4931 62.2914 32.8343 175.3340 74 S 4.6644 8.8750 122.3032 58.5305 63.2664 173.5021 75 L 4.6725 8.4995 129.5626 52.4895 41.9993 173.7838 76 P 4.4570 0.0000 0.0000 63.0263 31.8974 178.1599 77 T 3.8999 8.8291 119.2073 66.0513 68.5509 174.6807 78 D 4.8424 7.9911 118.8705 52.7616 39.8215 176.3323 79 S 4.3242 8.3367 115.1587 59.0361 62.7258 174.9275 80 D 4.6460 8.6516 125.5168 56.2624 40.9897 177.6830 81 L 4.1138 8.2782 120.4204 57.1033 41.8944 177.4156 82 W 4.7134 7.4898 118.0519 56.5329 29.6860 176.9154 83 S 4.3155 9.4682 119.9321 57.6082 63.8810 171.9600 84 P 4.1592 0.0000 0.0000 63.6901 31.5117 176.2020 85 N 4.2539 8.8745 119.9344 54.2127 35.9251 173.7185 86 E 4.6575 7.6712 115.5951 53.4541 33.2612 174.2295 87 P 4.1259 0.0000 0.0000 62.8179 31.8100 176.6973 88 S 4.5318 8.5982 111.0478 58.2350 65.2739 174.0920 89 N 4.2749 8.4568 118.9437 51.9257 39.2930 173.1553 90 P 3.9813 0.0000 0.0000 63.0213 31.7013 177.9044 91 Q 3.8911 8.3367 121.5402 58.0286 28.8087 178.2127 92 S 4.2708 7.8031 111.3749 59.6892 63.6700 174.5792 93 W 4.5596 7.7542 120.7723 56.0593 29.5995 175.8428 94 Q 4.3693 8.5990 119.8457 55.6911 28.5369 175.5281 95 L 5.2052 9.9333 124.4891 53.1834 44.6924 175.2497 96 C 5.0524 9.4560 120.4302 55.0807 40.1412 172.8037 97 V 5.1870 8.3750 120.8601 61.3344 33.8909 174.5024 98 Q 5.1909 9.0175 124.1814 54.5400 33.0379 174.1836 99 I 4.6833 9.1399 121.2872 59.8107 38.4148 175.0957 100 W 5.2182 9.3275 135.0000 56.5748 31.0807 177.5452 101 S 4.3981 10.0950 123.1049 61.0437 62.7754 175.6134 102 K 3.4516 7.2264 121.4132 58.6518 31.5772 176.6055 103 Y 4.4117 7.0043 111.9560 56.4389 39.9699 174.6241 104 N 4.3152 8.6753 117.4612 54.3997 37.7629 172.8422 105 L 4.9801 7.5579 114.2309 52.5829 47.2909 176.3801 106 L 5.1395 8.6620 120.0751 55.1435 42.8514 176.0661 107 D 5.2887 8.4439 119.3057 53.3167 44.8177 173.4285 108 D 5.3800 8.6751 124.3589 52.7611 41.1244 175.7273 109 V 4.6453 9.0660 114.6982 59.4586 36.9573 174.6396 110 G 4.2575 8.9512 109.2666 46.7876 0.0000 174.3707 111 C 4.8375 8.9207 115.2573 56.8779 40.5854 175.5996 112 G 3.7695 8.0334 108.3057 45.9617 0.0000 174.6564 113 G 3.9752 8.1328 107.6328 45.9294 0.0000 172.7599 114 A 4.9466 8.5149 124.2794 51.6471 19.3226 177.1000 115 R 4.4696 9.1826 120.8309 54.3224 35.5596 174.9507 116 R 4.5976 8.0140 119.7287 55.7332 31.6440 175.8051 117 V 4.9040 8.2930 119.4791 61.3328 35.1596 174.2717 118 I 4.8889 8.1392 126.5736 59.8498 40.4287 173.8949 119 C 5.5916 9.1921 124.8016 55.0666 44.5346 172.7586 120 E 5.2334 9.3102 118.3260 54.9109 33.5401 174.9668 121 K 4.5858 8.7705 121.9008 55.3105 35.1196 174.6750 122 E 4.2215 9.0579 129.3488 56.3868 30.4868 175.6953 123 L 4.7157 8.2906 128.0494 53.5503 44.1757 177.1115 *124 D 4.5624 8.6096 121.4727 53.2349 40.3533 172.8072 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 D 8.22 4.65 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.32 4.88 0.00 2.80 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 4 E 10.12 4.75 0.00 1.90 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 0.00 2.23 2.26 0.00 5 I 8.40 4.79 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.20 0.00 0.00 6 L 8.74 4.68 0.00 1.69 1.45 1.01 0.75 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 7 F 8.85 5.30 0.00 2.68 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 8 S 9.30 4.89 0.00 4.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 9.13 4.59 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.20 4.27 0.00 1.84 1.77 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 2.37 2.50 0.00 11 T 8.26 4.79 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 12 M 8.76 4.84 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 13 N 8.61 5.92 0.00 3.27 3.24 0.00 0.00 6.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.07 2.56 0.00 1.43 2.52 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 15 A 7.80 3.77 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 16 D 8.72 4.32 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 4.06 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 18 G 7.60 3.39 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 0.00 19 T 7.72 3.85 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 1.21 0.00 0.00 20 Y 8.37 3.99 0.00 3.10 3.17 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 21 C 8.43 4.54 0.00 3.19 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 22 Q 8.55 4.23 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 23 S 8.21 4.22 0.00 3.92 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 24 R 6.99 4.42 0.00 1.98 1.91 0.00 3.07 0.00 0.00 3.07 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 25 G 7.94 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 26 M 8.02 5.11 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 27 A 8.71 4.74 1.19 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 28 L 8.68 4.38 0.00 1.60 1.62 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.67 3.35 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 0.74 0.00 0.00 0.71 0.00 0.00 30 S 8.99 4.42 0.00 4.02 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 31 S 8.02 3.78 0.00 4.05 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.50 3.38 0.37 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 33 M 7.30 3.98 0.00 1.84 1.34 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 34 R 7.13 4.38 0.00 1.68 1.83 0.00 3.09 0.00 0.00 2.80 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.00 35 D 7.19 4.74 0.00 2.71 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 36 S 8.94 4.13 0.00 4.04 4.13 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 0.00 0.00 0.00 37 T 8.15 3.77 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 1.23 0.00 0.00 38 M 8.30 4.09 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.79 0.00 39 V 8.14 3.66 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 40 K 7.71 4.07 0.00 1.77 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.60 7.81 41 A 8.00 4.01 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 42 I 8.32 3.92 2.04 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.93 0.00 0.00 43 L 8.83 4.19 0.00 1.71 1.73 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.18 4.00 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 45 F 8.12 3.82 0.00 2.81 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 46 T 7.99 3.95 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 0.87 0.00 0.00 47 E 8.09 3.91 0.00 2.28 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 0.00 2.30 2.44 0.00 48 V 7.07 3.63 1.92 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 0.72 0.00 0.00 0.87 0.00 0.00 49 K 7.94 4.10 0.00 2.07 2.05 0.00 2.06 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 1.55 7.81 50 G 8.44 3.91 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 0.00 51 H 7.59 5.08 0.00 3.07 3.03 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.49 5.06 0.00 2.46 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.78 5.03 0.00 3.01 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 54 W 9.44 5.06 0.00 3.35 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 55 V 8.90 4.80 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 0.83 0.00 0.00 1.11 0.00 0.00 56 G 9.44 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 57 A 8.10 5.47 0.49 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 0.00 0.00 58 D 8.83 4.90 0.00 2.72 2.40 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 59 N 8.65 4.85 0.00 2.49 2.20 0.00 0.00 7.44 7.29 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 60 L 8.14 4.08 0.00 1.76 1.78 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.16 4.07 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 62 D 7.98 4.52 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 63 G 8.56 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 64 A 7.71 3.50 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.19 4.72 0.00 2.90 2.92 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 66 N 7.54 4.76 0.00 2.76 2.76 0.00 0.00 6.86 7.04 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 67 F 7.81 4.48 0.00 3.30 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 68 L 9.10 5.27 0.00 1.57 1.60 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 W 9.41 4.87 0.00 3.49 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 70 N 9.52 4.51 0.00 2.79 2.97 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.35 4.73 0.00 2.82 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 72 G 8.39 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 73 V 7.53 4.07 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 0.92 0.00 0.00 1.00 0.00 0.00 74 S 8.88 4.66 0.00 4.02 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 75 L 8.50 4.67 0.00 0.96 1.45 -0.17 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.46 0.00 2.36 2.14 0.00 3.83 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 77 T 8.83 3.90 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 1.01 0.00 0.00 78 D 7.99 4.84 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.32 0.00 4.04 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 80 D 8.65 4.65 0.00 2.74 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 81 L 8.28 4.11 0.00 1.43 1.53 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 W 7.49 4.71 0.00 3.04 3.11 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 83 S 9.47 4.32 0.00 3.88 3.30 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 84 P 0.00 4.16 0.00 1.58 1.83 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.85 0.00 85 N 8.87 4.25 0.00 2.90 2.93 0.00 0.00 6.84 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.67 4.66 0.00 2.11 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 2.56 2.67 0.00 87 P 0.00 4.13 0.00 1.00 0.49 0.00 2.63 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.44 0.00 88 S 8.60 4.53 0.00 3.89 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 89 N 8.46 4.27 0.00 2.78 2.17 0.00 0.00 6.92 7.62 0.00 0.00 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 P 0.00 3.98 0.00 1.26 1.69 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.67 0.00 91 Q 8.34 3.89 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.51 0.00 92 S 7.80 4.27 0.00 4.04 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 93 W 7.75 4.56 0.00 3.39 3.11 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 94 Q 8.60 4.37 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 95 L 9.93 5.21 0.00 1.71 1.86 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 96 C 9.46 5.05 0.00 2.74 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 0.00 0.00 0.00 0.00 97 V 8.38 5.19 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 0.67 0.00 0.00 0.80 0.00 0.00 98 Q 9.02 5.19 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 99 I 9.14 4.68 2.08 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 1.20 0.78 1.04 0.00 0.00 100 W 9.33 5.22 0.00 3.42 3.28 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 0.00 101 S 10.09 4.40 0.00 4.06 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 0.00 102 K 7.23 3.45 0.00 0.79 0.74 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.63 7.81 103 Y 7.00 4.41 0.00 2.86 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 0.00 104 N 8.68 4.32 0.00 2.80 2.91 0.00 0.00 6.91 7.79 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 0.00 105 L 7.56 4.98 0.00 1.68 1.76 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.66 5.14 0.00 1.02 0.96 0.43 1.11 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 0.00 107 D 8.44 5.29 0.00 3.14 2.56 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 0.00 108 D 8.68 5.38 0.00 2.89 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.07 4.65 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 0.54 0.00 0.00 1.13 0.00 0.00 110 G 8.95 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 0.00 111 C 8.92 4.84 0.00 2.97 2.99 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 0.00 112 G 8.03 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 0.00 0.00 0.00 113 G 8.13 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 0.00 114 A 8.51 4.95 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 0.00 115 R 9.18 4.47 0.00 0.71 1.38 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.88 0.00 116 R 8.01 4.60 0.00 0.73 1.51 0.00 2.49 0.00 0.00 2.78 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.07 0.00 117 V 8.29 4.90 1.80 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 1.07 0.00 0.00 0.81 0.00 0.00 118 I 8.14 4.89 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.41 0.00 0.00 119 C 9.19 5.59 0.00 2.81 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 0.00 120 E 9.31 5.23 0.00 1.76 1.76 0.00 0.00 0.00 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 2.21 0.00 121 K 8.77 4.59 0.00 1.84 1.69 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 122 E 9.06 4.22 0.00 1.94 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 2.18 2.12 0.00 123 L 8.29 4.72 0.00 1.45 1.48 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *124 D 8.61 4.56 0.00 2.67 2.40 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 * Residues marked with a * may have inaccurate shift predictions.