NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3102 8.2931 120.3296 56.2217 33.9132 173.8516 2 G 3.4677 8.6191 104.7300 45.7815 0.0000 172.0093 3 H 4.4275 7.7432 115.9951 56.6887 31.8615 172.6480 4 H 4.1555 8.1710 113.9910 56.8122 27.6810 174.8933 5 H 4.4503 8.3415 125.9968 54.3476 28.4768 173.1876 6 H 4.1115 8.2834 125.1345 56.2264 30.2028 174.9426 7 H 4.5915 8.2111 123.9945 55.4183 29.9278 174.0184 8 H 4.7674 7.8358 114.7044 54.5053 30.9689 172.8770 9 S 4.7825 8.3395 115.6175 57.2496 64.3764 172.8130 10 H 4.9214 8.3611 118.8381 55.5675 29.5239 173.9689 11 E 4.3736 7.6861 118.0490 55.5357 30.9308 175.5164 12 H 4.8000 8.4528 117.3662 54.2343 29.9724 174.8984 13 K 4.7193 8.6330 123.8417 54.4263 34.4190 175.2854 14 R 4.7036 8.9092 124.3308 54.1999 32.9068 174.5371 15 A 4.6601 8.6586 128.1396 50.8623 19.3954 175.3180 16 P 4.4899 0.0000 0.0000 62.7512 32.6239 175.5984 17 M 4.6482 8.0575 120.7795 54.2099 35.8808 173.5737 18 F 4.7014 8.9204 125.2994 57.1593 38.6096 175.4436 19 I 3.8578 9.0496 126.9848 63.6041 37.5799 176.6804 20 Y 4.9427 8.0024 117.8391 55.8372 41.4964 175.2178 21 K 4.4316 8.7475 122.7056 54.2562 34.3890 174.4671 22 P 4.3625 0.0000 0.0000 62.7040 31.7034 175.5028 23 Q 4.5770 8.3793 121.5398 53.8196 30.5143 175.4309 24 S 4.7997 8.2466 114.7233 58.6169 63.7535 173.5247 25 K 4.7981 8.3092 118.5994 54.7200 36.6651 175.0584 26 K 5.1318 8.6137 122.1393 55.3881 35.0798 175.3829 27 V 4.5931 8.7998 116.0220 59.9143 36.8002 174.1168 28 L 5.1003 8.1629 120.1814 53.1394 44.5196 176.2473 29 E 4.3250 8.8678 121.0969 60.3895 29.8504 177.8482 30 G 4.0558 8.7095 112.7461 45.1550 0.0000 172.1057 31 D 5.0395 8.2359 120.6612 52.7193 43.9599 175.0482 32 S 5.2466 8.4590 113.0318 57.1190 66.1821 173.7013 33 V 4.6780 8.6479 119.2669 59.9391 35.0753 173.8621 34 K 4.9809 8.5600 120.6635 55.0825 35.2537 175.2054 35 L 4.8319 8.8526 123.8376 52.9133 44.2934 175.2850 36 E 5.8806 8.9775 121.1803 53.8756 33.0157 174.3665 37 C 4.9134 8.5090 114.0361 57.6130 33.7760 172.1843 38 Q 5.1105 8.9904 118.4666 54.4118 31.0203 174.6045 39 I 5.2840 8.6730 125.4171 58.6798 40.4342 174.6777 40 S 4.6489 8.6504 122.0232 56.7263 63.2007 172.2867 41 A 4.9322 8.2919 127.4550 50.2242 22.8478 175.4579 42 I 4.4946 8.5516 120.0802 59.2548 40.9899 173.9469 43 P 4.7673 0.0000 0.0000 60.4798 32.6242 174.0907 44 P 4.1888 0.0000 0.0000 62.7666 31.1798 174.3737 45 P 4.7287 0.0000 0.0000 61.6377 33.4360 175.0449 46 K 4.1268 8.6048 122.0872 56.0668 33.1655 175.3624 47 L 5.1508 8.1626 127.1268 53.3954 43.5035 175.8945 48 F 5.1722 9.1251 121.1387 55.5412 43.3039 173.8717 49 W 5.4325 9.2590 121.6489 54.8670 32.7733 174.1824 50 K 5.0867 9.4304 125.0557 54.6152 35.3426 174.5469 51 R 4.5558 8.9210 127.8719 54.6696 32.3721 175.2698 52 N 4.3306 9.5170 124.9060 54.6162 36.6874 174.4404 53 N 4.2955 8.4562 110.3392 54.1247 36.2874 173.7240 54 E 4.5591 8.0454 118.5351 54.4199 31.3788 174.9640 55 M 4.4389 8.5224 123.7640 55.5224 32.8643 175.5806 56 V 3.8408 8.3934 127.8488 62.6952 32.0757 175.3897 57 Q 4.2344 8.3971 126.5934 53.9734 30.9587 175.4028 58 F 4.9039 8.3670 118.9472 57.6090 39.6376 175.5565 59 N 4.8694 8.2203 116.1133 52.9357 37.3373 174.0800 60 T 4.7174 7.3959 112.1400 60.4955 70.7894 174.0558 61 D 4.3728 8.6238 123.9847 57.1538 41.6848 177.5793 62 R 4.2150 7.9010 117.6564 58.1223 31.1816 176.6679 63 I 5.1103 7.5576 119.3377 59.6733 40.7519 175.1424 64 S 4.8705 9.1582 122.0563 56.8345 67.5325 172.8947 65 L 5.1460 8.3027 124.1522 53.5942 44.8950 174.7680 66 Y 5.0425 8.5455 122.9359 55.3635 41.9163 173.5769 67 Q 4.9418 8.7184 118.6043 54.6167 31.1436 174.5499 68 D 4.8773 8.8286 122.6607 52.7360 43.1755 176.7426 69 N 4.3667 8.8158 119.8941 56.5462 39.0496 175.7674 70 T 4.0085 8.2612 106.6748 62.4275 69.1348 175.3368 71 G 4.1140 8.3259 111.0525 46.4875 0.0000 172.8296 72 R 4.5482 7.6226 119.8509 56.1243 30.9546 175.5662 73 V 4.4708 8.8883 128.8019 61.9350 33.2306 174.6781 74 T 4.7957 8.2399 125.3250 61.5745 71.4825 172.7233 75 L 4.6562 8.9253 129.4920 53.2506 44.1925 174.8313 76 L 4.9309 8.9406 127.0469 53.1891 44.0794 175.4841 77 I 4.7699 8.4630 125.9385 59.7127 39.1818 175.2133 78 K 4.6144 9.0680 127.2858 54.8527 34.9757 176.0663 79 D 4.3035 8.2736 120.0325 54.8963 40.5535 174.1080 80 V 3.7833 7.2942 116.0725 60.9362 32.0622 174.8599 81 N 5.2365 8.4256 119.7552 50.3152 40.6739 174.9179 82 K 3.8515 9.1615 117.0524 59.9122 32.0724 179.8372 83 K 4.0792 8.0376 115.8782 58.7932 32.0641 177.2769 84 D 4.6703 8.1378 116.8722 53.9490 41.3171 176.4608 85 A 4.3264 7.7198 122.9621 51.5836 19.4716 177.3671 86 G 3.9882 7.5767 105.9627 46.2864 0.0000 171.2893 87 W 5.0713 8.6154 120.2068 55.9730 30.5072 176.0505 88 Y 5.2045 9.4726 123.2155 57.4094 40.1756 175.0682 89 T 5.1371 9.3339 118.5502 62.1269 72.7947 173.1203 90 V 4.2556 8.4930 127.0281 59.7701 33.7658 175.0578 91 S 5.2621 8.9932 120.0279 56.5706 66.7832 172.8056 92 A 5.1935 9.3712 126.1923 50.1527 21.6763 175.2190 93 V 4.6434 8.7196 123.0192 60.4175 33.7585 174.6053 94 N 5.3298 8.9940 124.8147 51.1400 41.4288 175.3011 95 E 3.9714 8.9281 121.5676 59.3009 29.7571 178.5654 96 A 4.0490 8.4466 121.3264 53.8145 18.8382 176.8927 97 G 4.0471 7.1483 104.4545 45.4688 0.0000 172.0409 98 V 5.0072 8.0941 117.8940 60.2132 34.5852 174.8378 99 T 4.8696 8.8710 116.3229 61.0708 71.1742 172.5648 100 T 5.3139 8.5683 122.8420 62.1684 72.6438 172.7521 101 C 4.7063 8.9488 124.7491 57.7615 35.2852 172.5489 102 N 5.5146 8.7140 121.4632 52.5389 40.6952 174.3724 103 T 4.7857 9.5170 116.7374 62.1470 73.8177 172.7961 104 R 4.0375 8.1742 124.2009 54.1067 32.7723 174.2240 105 L 5.1201 8.2058 126.4354 53.4871 45.3011 174.6375 106 D 5.2338 9.1445 126.2753 52.5960 43.7798 175.5391 107 V 4.9877 8.2627 120.5147 61.5619 34.7836 174.6300 108 T 4.8444 8.9501 122.5131 61.4087 72.7345 173.1571 109 A 4.7179 8.4436 126.0257 51.2893 18.9831 177.7561 110 R 4.1569 8.5446 120.9855 55.0857 30.9717 176.1785 111 P 4.0891 0.0000 0.0000 64.8064 31.7076 175.9911 112 N 4.8493 7.5185 116.7112 52.5250 42.0684 173.1212 113 Q 4.6290 8.3035 123.2762 53.4629 32.3300 175.0311 114 T 3.8583 8.3753 109.2829 62.2593 67.7719 173.8051 115 L 4.4780 7.9953 127.0622 53.7377 42.2907 175.2709 116 P 4.4059 0.0000 0.0000 62.9758 31.2407 176.5929 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 8.29 4.31 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 G 8.62 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 3 H 7.74 4.43 0.00 3.13 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.17 4.16 0.00 3.29 3.35 0.00 5.76 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.34 4.45 0.00 3.01 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.28 4.11 0.00 3.11 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.21 4.59 0.00 3.07 3.07 0.00 5.78 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 7.84 4.77 0.00 3.11 3.17 0.00 5.50 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.34 4.78 0.00 3.80 3.74 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 10 H 8.36 4.92 0.00 3.10 3.21 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.69 4.37 0.00 1.93 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 2.29 2.26 0.00 12 H 8.45 4.80 0.00 3.11 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.63 4.72 0.00 1.71 1.71 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.38 7.81 14 R 8.91 4.70 0.00 1.84 1.81 0.00 3.12 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 15 A 8.66 4.66 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 16 P 0.00 4.49 0.00 1.92 1.96 0.00 3.36 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 17 M 8.06 4.65 0.00 2.06 1.86 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 2.54 2.61 0.00 18 F 8.92 4.70 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 19 I 9.05 3.86 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 1.18 0.59 0.45 0.00 0.00 20 Y 8.00 4.94 0.00 2.86 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 21 K 8.75 4.43 0.00 1.82 1.79 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 22 P 0.00 4.36 0.00 2.26 2.21 0.00 3.62 0.00 0.00 3.70 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 23 Q 8.38 4.58 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 24 S 8.25 4.80 0.00 3.80 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 25 K 8.31 4.80 0.00 1.57 1.62 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.32 7.81 26 K 8.61 5.13 0.00 1.69 1.72 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.40 7.81 27 V 8.80 4.59 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 0.77 0.00 0.00 0.95 0.00 0.00 28 L 8.16 5.10 0.00 1.86 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.87 4.32 0.00 1.91 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 0.00 2.33 2.37 0.00 30 G 8.71 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.24 5.04 0.00 2.74 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 32 S 8.46 5.25 0.00 3.85 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 33 V 8.65 4.68 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 0.72 0.00 0.00 0.85 0.00 0.00 34 K 8.56 4.98 0.00 1.69 1.76 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.38 7.81 35 L 8.85 4.83 0.00 1.40 1.68 0.62 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.98 5.88 0.00 1.87 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 2.13 2.09 0.00 37 C 8.51 4.91 0.00 3.46 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 38 Q 8.99 5.11 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 39 I 8.67 5.28 1.72 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.65 0.65 0.00 0.00 40 S 8.65 4.65 0.00 3.86 3.72 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 41 A 8.29 4.93 1.18 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 0.00 0.00 0.00 42 I 8.55 4.49 1.95 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 1.27 0.57 0.96 0.00 0.00 43 P 0.00 4.77 0.00 2.17 2.08 0.00 3.78 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 1.98 1.95 0.00 44 P 0.00 4.19 0.00 2.17 2.10 0.00 3.75 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 1.98 1.96 0.00 45 P 0.00 4.73 0.00 2.15 2.06 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 46 K 8.60 4.13 0.00 1.91 1.76 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.32 0.66 7.81 47 L 8.16 5.15 0.00 1.52 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 48 F 9.13 5.17 0.00 2.92 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 49 W 9.26 5.43 0.00 3.60 3.36 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 50 K 9.43 5.09 0.00 1.88 1.68 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.50 7.81 51 R 8.92 4.56 0.00 1.02 1.49 0.00 3.26 0.00 0.00 2.86 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.00 52 N 9.52 4.33 0.00 2.86 2.87 0.00 0.00 7.10 7.78 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 53 N 8.46 4.30 0.00 2.87 2.91 0.00 0.00 7.01 7.63 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 54 E 8.05 4.56 0.00 2.11 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 2.22 2.35 0.00 55 M 8.52 4.44 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 56 V 8.39 3.84 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 0.54 0.00 0.00 1.14 0.00 0.00 57 Q 8.40 4.23 0.00 1.88 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.26 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 58 F 8.37 4.90 0.00 3.04 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 59 N 8.22 4.87 0.00 2.85 2.94 0.00 0.00 5.92 7.72 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 60 T 7.40 4.72 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 1.25 0.00 0.00 61 D 8.62 4.37 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.22 0.00 1.78 2.08 0.00 3.12 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 1.65 1.61 0.00 63 I 7.56 5.11 1.88 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 1.23 0.85 1.01 0.00 0.00 64 S 9.16 4.87 0.00 3.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.30 5.15 0.00 0.87 0.48 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.55 5.04 0.00 2.98 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 67 Q 8.72 4.94 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 68 D 8.83 4.88 0.00 2.87 2.62 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 0.00 0.00 0.00 0.00 69 N 8.82 4.37 0.00 2.73 2.85 0.00 0.00 7.02 7.71 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 70 T 8.26 4.01 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 1.29 0.00 0.00 71 G 8.33 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 72 R 7.62 4.55 0.00 2.10 1.85 0.00 3.09 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 73 V 8.89 4.47 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 1.13 0.00 0.00 0.99 0.00 0.00 74 T 8.24 4.80 3.25 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 1.17 0.00 0.00 75 L 8.93 4.66 0.00 0.71 0.87 0.69 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.94 4.93 0.00 1.55 1.53 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.46 4.77 1.75 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 0.90 0.00 0.00 78 K 9.07 4.61 0.00 1.63 1.68 0.00 2.01 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 79 D 8.27 4.30 0.00 2.70 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 80 V 7.29 3.78 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 0.73 0.00 0.00 0.97 0.00 0.00 81 N 8.43 5.24 0.00 3.12 2.96 0.00 0.00 6.73 6.87 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 82 K 9.16 3.85 0.00 1.80 1.94 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.68 1.60 7.81 83 K 8.04 4.08 0.00 1.75 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 84 D 8.14 4.67 0.00 2.78 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 85 A 7.72 4.33 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 86 G 7.58 3.99 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 0.00 87 W 8.62 5.07 0.00 3.30 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 88 Y 9.47 5.20 0.00 3.14 3.35 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 89 T 9.33 5.14 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 V 8.49 4.26 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.41 0.00 0.00 91 S 8.99 5.26 0.00 3.93 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 92 A 9.37 5.19 1.07 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 93 V 8.72 4.64 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 0.98 0.00 0.00 0.99 0.00 0.00 94 N 8.99 5.33 0.00 2.74 2.80 0.00 0.00 6.55 8.11 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 95 E 8.93 3.97 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 96 A 8.45 4.05 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 97 G 7.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.09 5.01 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 0.84 0.00 0.00 1.02 0.00 0.00 99 T 8.87 4.87 4.31 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 1.11 0.00 0.00 100 T 8.57 5.31 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 1.25 0.00 0.00 101 C 8.95 4.71 0.00 2.18 1.94 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 0.00 102 N 8.71 5.51 0.00 2.80 3.05 0.00 0.00 6.86 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 0.00 103 T 9.52 4.79 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 104 R 8.17 4.04 0.00 0.67 1.08 0.00 2.83 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.00 105 L 8.21 5.12 0.00 1.72 1.76 0.95 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 106 D 9.14 5.23 0.00 2.55 2.51 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 0.00 107 V 8.26 4.99 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 0.73 0.00 0.00 0.94 0.00 0.00 108 T 8.95 4.84 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 0.00 109 A 8.44 4.72 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 0.00 110 R 8.54 4.16 0.00 1.89 1.85 0.00 3.13 0.00 0.00 3.55 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 111 P 0.00 4.09 0.00 2.17 2.18 0.00 3.78 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 1.95 0.00 112 N 7.52 4.85 0.00 2.51 2.67 0.00 0.00 6.94 6.96 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 0.00 113 Q 8.30 4.63 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 114 T 8.38 3.86 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 0.00 115 L 8.00 4.48 0.00 1.75 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.41 0.00 2.06 2.00 0.00 3.71 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 2.02 2.07 0.00