NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3122 8.3049 120.3419 55.6563 33.2588 175.6335 2 K 3.9044 7.7388 121.8647 55.6288 34.1861 175.1585 3 T 3.9038 7.5967 125.3069 61.6342 67.8201 175.4762 4 Y 4.2367 5.9596 116.0515 57.6179 38.3959 177.9352 5 V 3.6525 8.0239 120.4889 62.2342 31.7257 174.8371 6 P 4.7673 0.0000 0.0000 61.8598 33.7002 174.8881 7 K 4.6167 8.0978 115.4035 55.0984 35.9121 175.2096 8 Q 3.8149 8.4295 121.1599 55.5972 27.3963 177.9086 9 V 3.9213 8.0145 123.3405 62.1538 32.8086 174.2269 10 E 4.5937 8.3936 121.2766 53.0768 31.3260 172.9414 11 P 4.2807 0.0000 0.0000 63.7295 30.9810 176.3597 12 R 4.5304 8.3648 125.4899 53.9395 28.2817 175.5125 13 W 5.0865 8.6742 122.1177 56.3422 30.3927 175.2449 14 V 5.0952 8.4011 119.9792 60.9363 34.7693 173.2943 15 L 5.2326 8.0310 127.0535 52.7970 45.0505 175.1971 16 I 4.0037 7.9508 118.9398 60.4777 41.0859 173.1561 17 D 5.3432 8.4679 127.2700 52.8882 41.3047 175.0676 18 A 4.4122 7.7411 129.6581 50.9061 18.6173 179.3244 19 E 3.9031 7.7430 121.7092 59.6914 29.8149 178.7499 20 G 4.0184 8.0079 105.7141 44.8904 0.0000 172.5679 21 K 4.7001 9.2395 121.0728 54.1170 35.1687 175.8173 22 T 5.0900 8.6697 121.1898 63.3464 69.6312 173.5858 23 L 4.5018 8.5130 124.5983 56.1493 42.2726 176.1424 24 G 4.3319 9.0863 112.8117 46.2233 0.0000 176.4154 25 R 3.8689 7.7666 117.5006 57.6608 30.5276 177.8261 26 L 4.3399 7.4035 118.3438 56.9744 42.8195 178.0236 27 A 4.2409 8.0562 120.1861 55.2903 18.0249 179.1265 28 T 3.7895 8.1657 111.9873 64.7331 67.2724 175.6849 29 K 4.2528 8.4445 119.8977 58.0223 32.5340 178.6854 30 I 3.8762 7.6416 119.1013 63.6436 36.9147 177.9306 31 A 4.0289 7.9895 122.1784 55.0986 18.5938 179.2943 32 T 3.7032 7.3613 112.4240 67.0799 68.7351 176.7988 33 L 3.7837 8.3855 120.7174 57.3982 41.3133 179.2564 34 L 3.9926 7.1470 118.5938 58.1613 42.1715 177.3159 35 R 4.3736 8.1050 117.4602 55.4011 32.3305 176.1918 36 G 4.3991 8.5245 105.4192 44.4763 0.0000 174.2443 37 K 3.2006 7.3279 117.7839 57.1710 33.0530 176.7011 38 H 4.5721 8.2494 112.8075 56.1391 29.9549 175.2554 39 R 4.2811 7.4961 117.3980 53.8457 30.4602 175.2910 40 P 4.4176 0.0000 0.0000 64.2433 31.1918 176.5897 41 D 4.2050 8.6922 120.4254 56.7444 41.0661 177.8232 42 W 4.5833 7.1716 123.0071 59.0104 28.0528 173.8409 43 T 4.3080 7.6631 125.9754 59.8120 68.0247 173.2281 44 P 3.1077 0.0000 0.0000 63.3308 31.5675 177.0797 45 N 5.0074 8.7944 115.0846 52.5329 37.9997 175.3584 46 V 4.0989 7.4805 116.8234 61.1252 34.3049 174.3669 47 A 3.5497 8.1872 120.4105 52.5719 14.4112 179.4064 48 M 4.5616 7.5962 122.2183 53.2113 30.7004 176.6002 49 G 4.6070 7.6620 111.5120 43.5801 0.0000 169.3705 50 D 4.6907 8.4204 120.2425 53.9690 41.7415 176.9757 51 F 3.9054 8.8668 122.1942 57.1513 39.6627 174.2491 52 V 4.2611 7.9839 125.4776 61.6529 32.8789 174.8205 53 V 4.7847 8.7971 128.2579 60.5975 33.5886 174.1180 54 V 4.6675 8.3946 128.8125 61.6526 33.2100 175.0651 55 V 4.6761 8.3572 126.5995 59.6772 34.3164 175.3078 56 N 4.1916 8.8619 114.5134 54.6371 37.3725 175.7581 57 A 4.4332 8.5222 131.5489 50.3665 18.5122 178.3832 58 D 3.8690 9.4401 115.0847 57.0359 41.8257 174.8885 59 K 4.0216 8.2232 122.8433 58.9037 31.2239 175.9525 60 I 3.7370 9.8558 116.9458 59.0434 36.6621 176.4089 61 R 4.3613 8.7315 127.0623 56.4520 31.6107 176.6157 62 V 4.5781 7.9864 120.4794 61.2007 33.7867 174.5434 63 T 3.9640 8.9553 123.3858 64.8052 69.7784 175.1407 64 G 3.9074 7.8341 108.9943 46.9018 0.0000 175.1819 65 K 4.4647 8.3398 127.1002 56.3150 32.0695 178.0943 66 K 4.0166 7.6657 116.5451 57.6768 32.0890 176.4411 67 L 4.6431 8.2242 119.9587 54.2843 43.6700 175.1955 68 E 4.4382 8.8921 130.1874 57.0537 27.3403 176.3235 69 Q 4.3867 7.7296 113.5523 56.2157 28.9174 175.4937 70 K 4.6779 8.0550 120.5602 54.6374 34.8787 174.9478 71 I 5.3793 8.2988 127.0184 59.9087 40.7802 174.3593 72 Y 4.3605 10.2610 124.7273 57.1500 39.9845 174.7275 73 T 5.1523 8.3964 118.5030 61.9599 71.8029 173.5207 74 R 4.7823 9.1915 124.8518 54.4720 34.3721 174.2361 75 Y 5.1912 8.5242 122.8822 55.5569 40.5631 175.0983 76 S 4.2343 8.5359 122.3316 57.7759 64.1335 175.8295 77 G 3.5969 8.8053 109.5411 47.9639 0.0000 173.4099 78 Y 4.2144 7.5129 117.1105 56.3184 39.0796 173.0264 79 P 4.4392 0.0000 0.0000 63.4930 31.8245 178.0491 80 G 4.0787 9.1519 110.4839 45.9189 0.0000 174.7200 81 G 3.8714 7.6466 109.1568 45.5362 0.0000 174.5743 82 L 5.2425 7.8778 123.1720 53.0622 42.6017 175.3534 83 K 4.3042 9.2034 126.4856 55.9374 33.1974 176.2097 84 K 5.1294 8.6650 123.7827 54.8298 34.8068 175.8949 85 I 4.7029 8.7178 124.3353 59.4386 41.8554 172.9203 86 P 4.6615 0.0000 0.0000 61.8032 32.5911 176.3730 87 L 3.6842 8.6319 122.6527 58.9274 41.9128 179.1044 88 E 3.6544 7.6326 115.4494 59.4362 29.5111 179.3453 89 K 3.8143 8.0647 117.0315 60.8283 32.2109 178.4297 90 M 3.9132 7.8714 117.4043 58.2110 31.8004 178.2181 91 L 3.9159 7.8475 119.3252 58.2893 42.1212 179.1633 92 A 4.3141 7.8485 120.2706 53.9898 18.5112 177.5641 93 T 4.1431 7.7378 113.0552 61.5971 69.8384 172.9563 94 H 4.3131 8.9098 126.6390 56.9394 24.7191 174.4845 95 P 4.3927 0.0000 0.0000 65.6102 31.8485 178.2498 96 E 3.9746 8.2816 116.9736 59.2067 29.2008 179.3252 97 R 4.4940 7.5980 119.3998 58.8027 29.9247 178.6836 98 V 3.5502 7.1974 116.9785 66.1109 31.5181 177.5058 99 L 4.2205 7.8110 118.9596 57.9939 42.3541 178.0885 100 E 4.0063 8.0470 118.2294 60.1894 29.5970 179.2443 101 H 4.3635 9.2576 115.6792 58.1592 28.5142 177.3490 102 A 4.3409 8.0553 122.2283 54.5957 18.6833 179.2044 103 V 3.6876 7.9162 116.8519 65.3032 31.7664 177.6754 104 K 4.0494 8.9514 119.9335 59.8131 32.1477 178.7656 105 G 3.8786 7.6625 103.1229 47.3418 0.0000 173.4270 106 M 4.6998 9.1275 118.3337 54.6299 33.5195 175.3421 107 L 4.6730 7.7422 119.1745 52.0772 43.7122 174.5830 108 P 4.3308 0.0000 0.0000 62.9830 31.9150 177.4051 109 K 4.0770 8.5290 118.9716 57.9352 32.3485 177.8951 110 G 3.9316 7.6569 107.9884 44.2214 0.0000 172.0797 111 P 4.3663 0.0000 0.0000 64.1996 31.0779 178.4070 112 L 4.1367 7.7914 119.8577 57.9661 42.4043 178.3161 113 G 4.4116 8.1114 106.4428 47.4276 0.0000 175.5435 114 R 3.9729 7.5222 118.6741 58.9141 30.4300 178.7011 115 R 4.0256 7.6006 118.3354 59.4574 29.9544 178.1852 116 L 3.7995 8.4896 118.9980 58.1115 41.5250 179.3073 117 F 3.3642 8.0079 118.9796 61.3918 39.2150 177.0311 118 K 4.1997 7.9057 116.5766 58.2026 32.0675 177.2812 119 R 3.9240 8.5368 119.5838 56.1596 29.9367 175.4956 120 L 4.7300 7.3671 119.8739 53.4834 44.5378 176.0184 121 K 4.2533 8.7667 127.9220 54.8770 33.2854 175.2372 122 V 4.7273 7.7148 124.7129 61.3714 33.2664 174.4034 123 Y 4.9109 8.9632 123.4297 56.3354 42.9279 174.0595 124 A 4.5568 8.7706 123.6868 52.1654 20.0357 175.4309 125 G 4.2480 9.0408 113.9443 46.0833 0.0000 175.3548 126 P 4.5672 0.0000 0.0000 63.9183 31.6165 175.2868 127 D 4.5035 9.1400 122.5322 55.0457 38.8007 173.5011 128 H 3.9097 8.1548 120.2332 52.4078 29.6558 173.3210 129 P 4.0540 0.0000 0.0000 64.2986 31.0314 175.9100 130 H 4.5583 7.6667 114.8499 53.7420 28.3894 171.9556 131 Q 4.2489 8.1747 126.7035 55.4156 29.4982 175.4368 132 A 4.8775 8.3570 134.0270 52.4307 19.8126 172.5053 133 Q 3.8629 8.2675 125.3229 54.9962 30.7414 173.2680 134 R 4.8926 8.1402 118.8694 54.9140 30.4954 172.9056 135 P 4.2567 0.0000 0.0000 63.2893 32.5951 176.9099 136 E 4.3522 8.7943 125.1377 56.9999 30.3571 176.4559 137 K 4.5269 8.9031 123.6938 54.6642 36.1370 177.7772 138 L 4.1548 8.4131 129.5051 54.2976 40.1138 177.4664 *139 E 4.1515 7.8953 117.5311 56.0176 30.3597 177.1193 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 1 M 8.30 4.31 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 2 K 7.74 3.90 0.00 1.45 1.27 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.50 7.81 3 T 7.60 3.90 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 1.17 0.00 0.00 4 Y 5.96 4.24 0.00 3.04 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 5 V 8.02 3.65 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 0.84 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.77 0.00 2.24 2.19 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 7 K 8.10 4.62 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.45 7.81 8 Q 8.43 3.81 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 9 V 8.01 3.92 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 0.81 0.00 0.00 1.01 0.00 0.00 10 E 8.39 4.59 0.00 1.94 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 2.19 2.35 0.00 11 P 0.00 4.28 0.00 1.84 1.96 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 12 R 8.36 4.53 0.00 1.90 2.31 0.00 3.35 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 13 W 8.67 5.09 0.00 3.17 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 14 V 8.40 5.10 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 1.40 0.00 0.00 1.05 0.00 0.00 15 L 8.03 5.23 0.00 1.93 1.53 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.95 4.00 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 1.24 0.95 0.98 0.00 0.00 17 D 8.47 5.34 0.00 2.74 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 18 A 7.74 4.41 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 19 E 7.74 3.90 0.00 2.07 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 2.34 2.32 0.00 20 G 8.01 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 21 K 9.24 4.70 0.00 1.83 1.73 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 22 T 8.67 5.09 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 1.26 0.00 0.00 23 L 8.51 4.50 0.00 1.68 1.69 1.05 0.47 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 24 G 9.09 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.77 3.87 0.00 1.82 2.01 0.00 3.36 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 26 L 7.40 4.34 0.00 1.94 1.69 0.92 1.02 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 27 A 8.06 4.24 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 28 T 8.17 3.79 4.45 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 1.24 0.00 0.00 29 K 8.44 4.25 0.00 1.81 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81 30 I 7.64 3.88 1.84 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 1.55 1.30 0.85 0.00 0.00 31 A 7.99 4.03 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 32 T 7.36 3.70 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 1.05 0.00 0.00 33 L 8.39 3.78 0.00 1.69 1.59 0.85 0.46 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 34 L 7.15 3.99 0.00 1.90 1.75 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.11 4.37 0.00 1.77 2.02 0.00 3.17 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 36 G 8.52 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 0.00 0.00 0.00 0.00 37 K 7.33 3.20 0.00 1.35 1.59 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 0.95 7.81 38 H 8.25 4.57 0.00 3.24 3.28 0.00 5.57 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.50 4.28 0.00 2.00 1.90 0.00 3.11 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 P 0.00 4.42 0.00 2.20 2.21 0.00 3.72 0.00 0.00 3.62 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 41 D 8.69 4.20 0.00 2.77 2.84 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 0.00 0.00 0.00 42 W 7.17 4.58 0.00 3.21 3.33 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 43 T 7.66 4.31 4.18 0.00 0.00 0.00 0.00 0.00 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 44 P 0.00 3.11 0.00 1.67 0.73 0.00 3.18 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.00 45 N 8.79 5.01 0.00 2.59 2.72 0.00 0.00 6.61 7.55 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 46 V 7.48 4.10 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 0.88 0.00 0.00 0.93 0.00 0.00 47 A 8.19 3.55 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 48 M 7.60 4.56 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 49 G 7.66 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.42 4.69 0.00 2.71 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 51 F 8.87 3.91 0.00 1.51 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 52 V 7.98 4.26 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 0.88 0.00 0.00 0.91 0.00 0.00 53 V 8.80 4.78 2.41 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 1.66 0.00 0.00 1.38 0.00 0.00 54 V 8.39 4.67 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 1.03 0.00 0.00 0.93 0.00 0.00 55 V 8.36 4.68 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 0.80 0.00 0.00 0.96 0.00 0.00 56 N 8.86 4.19 0.00 2.81 3.31 0.00 0.00 6.95 7.96 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 57 A 8.52 4.43 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 58 D 9.44 3.87 0.00 2.92 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 59 K 8.22 4.02 0.00 2.13 2.01 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.40 7.81 60 I 9.86 3.74 1.89 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 1.25 0.69 1.04 0.00 0.00 61 R 8.73 4.36 0.00 1.86 1.85 0.00 3.31 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 62 V 7.99 4.58 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 0.67 0.00 0.00 0.97 0.00 0.00 63 T 8.96 3.96 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 64 G 7.83 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 65 K 8.34 4.46 0.00 1.88 1.82 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.51 7.81 66 K 7.67 4.02 0.00 1.83 1.91 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.50 7.81 67 L 8.22 4.64 0.00 1.57 1.57 0.93 1.12 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 68 E 8.89 4.44 0.00 2.13 2.28 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 2.59 2.24 0.00 69 Q 7.73 4.39 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 70 K 8.06 4.68 0.00 1.88 1.79 0.00 1.41 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.57 1.66 7.81 71 I 8.30 5.38 1.89 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 1.40 0.82 0.98 0.00 0.00 72 Y 10.26 4.36 0.00 3.05 2.86 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 73 T 8.40 5.15 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 1.25 0.00 0.00 74 R 9.19 4.78 0.00 1.74 1.80 0.00 3.09 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 75 Y 8.52 5.19 0.00 2.93 2.87 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 76 S 8.54 4.23 0.00 3.85 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 77 G 8.81 3.60 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 0.00 0.00 0.00 78 Y 7.51 4.21 0.00 2.85 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 79 P 0.00 4.44 0.00 2.24 2.02 0.00 3.85 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 2.14 2.10 0.00 80 G 9.15 4.08 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 0.00 0.00 0.00 81 G 7.65 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 82 L 7.88 5.24 0.00 1.82 1.70 1.11 0.74 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 83 K 9.20 4.30 0.00 1.88 1.74 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.55 7.81 84 K 8.67 5.13 0.00 1.63 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 85 I 8.72 4.70 1.95 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 0.87 0.86 0.00 0.00 86 P 0.00 4.66 0.00 2.24 2.20 0.00 3.75 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 2.06 1.96 0.00 87 L 8.63 3.68 0.00 1.88 1.73 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.63 3.65 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 89 K 8.06 3.81 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.66 7.81 90 M 7.87 3.91 0.00 1.74 2.01 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 1.70 2.41 0.00 91 L 7.85 3.92 0.00 1.70 1.72 0.91 0.73 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 92 A 7.85 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.74 4.14 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 1.25 0.00 0.00 94 H 8.91 4.31 0.00 3.40 3.36 0.00 5.95 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 95 P 0.00 4.39 0.00 2.26 2.45 0.00 3.72 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 2.08 2.02 0.00 96 E 8.28 3.97 0.00 2.14 2.26 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 2.36 2.32 0.00 97 R 7.60 4.49 0.00 2.05 2.09 0.00 3.17 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 98 V 7.20 3.55 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 0.85 0.00 0.00 0.84 0.00 0.00 99 L 7.81 4.22 0.00 1.74 1.77 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.05 4.01 0.00 2.33 2.27 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 2.28 2.48 0.00 101 H 9.26 4.36 0.00 3.52 3.54 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.06 4.34 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 0.00 103 V 7.92 3.69 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 1.04 0.00 0.00 0.97 0.00 0.00 104 K 8.95 4.05 0.00 1.95 1.82 0.00 1.00 0.00 0.00 1.37 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 0.76 7.81 105 G 7.66 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 106 M 9.13 4.70 0.00 1.80 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 107 L 7.74 4.67 0.00 1.69 1.63 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.33 0.00 2.20 2.04 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 109 K 8.53 4.08 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 110 G 7.66 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 0.00 0.00 0.00 111 P 0.00 4.37 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 112 L 7.79 4.14 0.00 1.74 1.64 0.91 1.13 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 0.00 113 G 8.11 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.52 3.97 0.00 1.81 2.01 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 115 R 7.60 4.03 0.00 2.05 2.06 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 116 L 8.49 3.80 0.00 1.83 1.66 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.01 3.36 0.00 3.14 3.31 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 0.00 118 K 7.91 4.20 0.00 1.92 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.85 7.81 119 R 8.54 3.92 0.00 1.25 0.83 0.00 2.21 0.00 0.00 2.58 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 120 L 7.37 4.73 0.00 1.24 1.16 0.67 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.77 4.25 0.00 2.12 2.12 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.79 1.51 7.81 122 V 7.71 4.73 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 0.82 0.00 0.00 0.85 0.00 0.00 123 Y 8.96 4.91 0.00 2.96 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 0.00 124 A 8.77 4.56 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 0.00 125 G 9.04 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 0.00 0.00 0.00 0.00 126 P 0.00 4.57 0.00 2.20 2.03 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 127 D 9.14 4.50 0.00 2.73 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 0.00 128 H 8.15 3.91 0.00 2.84 3.14 0.00 5.49 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 0.00 129 P 0.00 4.05 0.00 2.14 2.15 0.00 2.36 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 130 H 7.67 4.56 0.00 3.04 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.17 4.25 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.59 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 132 A 8.36 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.27 3.86 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.63 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 134 R 8.14 4.89 0.00 1.93 1.97 0.00 3.19 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 135 P 0.00 4.26 0.00 2.28 2.15 0.00 3.96 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 2.18 2.15 0.00 136 E 8.79 4.35 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 137 K 8.90 4.53 0.00 1.73 1.66 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.64 7.81 138 L 8.41 4.15 0.00 1.64 1.64 0.93 0.91 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 *139 E 7.90 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.