NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 M 4.3949 8.2893 118.8005 54.8487 33.3151 172.3584 -4 H 3.5722 9.2033 120.7719 56.4060 29.8577 168.5607 -3 H 4.0333 9.2064 129.7779 56.0133 28.0684 175.1733 -2 H 4.8095 8.7215 121.0371 55.1882 28.9877 174.1548 -1 H 4.7949 7.4231 113.1287 54.8901 30.9985 171.9960 0 H 4.8913 8.1963 115.9681 54.8770 32.7295 173.1040 1 H 4.8536 8.5654 116.8244 55.6635 29.3071 177.0297 2 K 3.9753 8.2295 122.3806 59.7173 31.8653 178.3610 3 D 4.5752 8.0278 115.1519 54.7610 39.6003 176.4124 4 E 4.3600 7.9760 118.7613 57.2135 30.1403 176.9504 5 V 4.3632 7.8672 110.3081 59.9597 33.9401 177.2119 6 A 4.0315 8.0073 124.1895 55.1530 18.1576 180.1699 7 L 3.9325 8.2425 117.6907 57.7516 41.5925 179.6098 8 L 3.5596 7.7524 118.2836 57.5409 41.3536 179.2642 9 A 4.2962 8.2360 120.8555 55.0690 18.2434 179.6090 10 A 3.9504 8.1805 119.3800 55.3386 18.4739 180.0366 11 V 3.6177 7.9125 116.7958 66.3788 31.5590 178.2154 12 T 4.0959 8.2504 115.7178 66.8147 68.3347 176.2745 13 L 4.0477 8.2902 122.1942 58.0673 42.0616 178.5269 14 L 4.0532 8.3899 120.6971 58.2597 41.9681 179.3099 15 G 3.9092 8.5208 105.6856 47.7635 0.0000 175.8492 16 V 3.4764 8.2358 120.7838 65.7502 31.6015 177.9462 17 L 3.8919 8.0462 118.7995 57.8365 41.4492 179.3624 18 L 3.5496 7.9273 120.1513 58.1052 41.9724 179.0558 19 Q 3.6035 7.6993 117.6797 58.6105 28.4914 178.6097 20 A 3.9159 7.9818 121.9998 55.1990 18.3361 178.9718 21 Y 3.9845 7.8817 118.0151 60.8601 38.8408 178.3033 22 F 3.5788 7.5846 118.5900 60.5687 38.9640 177.8126 23 S 4.1785 8.0620 114.5815 61.7326 62.6000 176.8700 24 L 4.0486 8.0499 121.6470 57.8089 41.2316 179.5985 25 Q 3.9652 8.1476 118.4126 58.7931 28.5300 178.9498 26 V 3.6944 7.9993 119.3838 66.1149 31.3323 178.1620 27 I 3.7884 7.9051 119.6336 64.4696 36.8951 178.4017 28 S 4.1027 8.4383 113.9306 61.3326 62.1531 176.0954 29 A 4.1639 8.6317 123.9523 55.1690 18.1397 179.7168 30 R 3.7845 8.5969 116.9914 59.4793 30.0793 179.4632 31 R 3.8037 7.8512 117.3065 59.0371 30.0041 178.4637 32 A 3.6494 7.5472 120.5114 55.0989 18.2062 178.6738 33 F 4.7811 7.9747 110.9148 56.5738 39.6270 176.7138 34 R 3.6431 7.4720 118.2685 57.3006 27.3754 175.8719 35 V 4.0744 8.3152 115.9395 60.6888 33.7674 174.6380 36 S 4.7061 8.2123 121.7736 55.6207 64.7914 172.3213 37 P 4.3721 0.0000 0.0000 62.1206 32.1073 176.0996 38 P 4.4531 0.0000 0.0000 63.3811 32.6234 174.1211 39 L 3.9296 9.3577 120.7345 56.6096 42.3354 174.7968 40 T 4.5669 8.1370 113.3954 61.1549 69.7746 173.1412 41 T 4.7988 7.4587 111.1529 60.2802 71.2320 174.7243 42 G 3.8826 8.5993 110.0628 44.3683 0.0000 171.7865 43 P 4.3244 0.0000 0.0000 62.1555 33.2792 174.9790 44 P 4.1848 0.0000 0.0000 66.0427 30.7246 178.8138 45 E 3.6501 7.6941 115.5703 59.1275 29.2908 178.8841 46 F 3.9718 7.3905 120.9988 61.0884 39.6349 176.9289 47 E 3.8075 8.2288 118.1818 59.2623 29.1884 179.6227 48 R 3.2493 7.7997 118.3703 58.7856 30.1350 179.2692 49 V 2.8561 6.8390 117.0717 65.7508 31.4650 177.3280 50 Y 3.8178 7.3449 119.4276 60.7742 38.5107 178.2740 51 R 3.5713 7.7097 119.2042 58.9494 30.1340 178.2139 52 A 4.0929 7.2542 120.7455 55.0288 18.1846 179.4511 53 Q 3.9111 7.8457 117.7612 59.3242 29.2440 178.3315 54 V 3.4781 7.4781 119.3165 66.2580 31.4493 177.7925 55 N 4.5210 8.4034 116.0676 56.4639 38.4923 177.2078 56 C 4.2411 8.3100 118.1389 63.0878 28.0569 176.2458 57 S 4.2946 8.3114 115.7569 61.7830 62.5056 176.1847 58 E 4.1019 8.2458 120.7860 59.4241 29.7123 177.9820 59 Y 4.1607 8.3530 115.7516 59.5965 38.1036 177.5246 60 F 4.5350 8.2310 122.0852 61.0375 39.4851 175.3092 61 P 4.1163 0.0000 0.0000 65.0841 31.0996 178.6987 62 L 3.8787 7.7950 117.8284 57.4971 41.5516 178.8317 63 F 3.8718 8.2280 120.5905 61.2254 39.3353 176.9892 64 L 3.4289 7.5595 118.1502 57.5886 41.4163 179.3262 65 A 3.9352 8.0494 120.8264 55.7458 18.3379 179.9129 66 T 3.8495 7.7090 114.0913 66.1921 68.4009 176.8261 67 L 3.7002 7.8018 122.7680 58.0302 42.0090 179.2741 68 W 3.8010 7.9992 118.5403 59.5725 28.9242 178.8036 69 V 3.8190 8.0084 117.9984 66.1188 31.0465 177.9187 70 A 4.2096 8.6960 121.0215 55.2519 17.9836 179.8974 71 G 3.4713 8.1679 103.5328 47.6160 0.0000 175.6894 72 I 3.8999 7.8363 121.1950 63.5702 37.8366 177.6305 73 F 4.3143 8.6772 117.6898 58.1632 39.0305 175.9110 74 F 4.6205 7.8550 117.4820 57.5523 41.7323 174.8775 75 H 4.2834 7.6409 112.7807 54.0287 33.2448 174.1156 76 E 3.9323 8.2687 129.3568 59.3065 29.6764 178.9224 77 G 3.6183 7.8306 104.9510 47.8317 0.0000 175.0210 78 A 4.0787 8.5843 123.1299 54.8725 18.3161 179.4461 79 A 3.9401 8.1545 118.8478 55.2697 18.4274 179.7142 80 A 3.8996 8.2050 119.5408 55.0664 18.4361 179.6009 81 L 3.9115 8.1515 118.8847 58.6386 42.1504 178.9642 82 C 4.3219 8.2946 116.7737 62.7988 28.0049 176.3146 83 G 4.0738 8.6105 107.6472 48.0420 0.0000 175.6764 84 L 4.0906 8.2935 121.6528 57.4782 41.5659 179.7971 85 V 3.6904 7.9770 118.1743 66.1156 31.4195 177.2476 86 Y 3.9663 8.3631 119.5125 60.8672 38.5373 178.3236 87 L 3.7589 8.1230 119.7949 57.5360 41.7348 179.1990 88 F 4.3752 8.5744 120.6921 61.3956 39.2882 176.8332 89 A 3.7745 8.1629 120.4844 55.3883 18.0963 179.8905 90 R 3.7496 7.8617 116.7170 59.0000 30.0820 178.9383 91 L 4.3576 8.2467 120.4557 58.5043 42.0865 179.3778 92 R 3.8428 7.8263 117.8876 59.1360 29.8515 178.2041 93 Y 3.9522 8.2702 119.8241 60.7066 38.7627 178.1797 94 F 3.6999 8.3822 121.1973 61.3006 39.5595 176.8557 95 Q 4.1606 8.4244 117.8078 59.1124 28.4978 179.1151 96 G 3.5547 8.3221 106.8245 48.0545 0.0000 174.7316 97 Y 4.1744 7.7075 121.9787 60.2222 38.7505 178.0202 98 A 3.7552 7.4150 120.2266 54.9674 18.3947 179.4732 99 R 4.0491 7.1336 114.9611 57.8919 31.1670 177.2191 100 S 4.4532 8.1508 110.5398 55.7441 66.3275 174.9193 101 A 3.8272 8.9167 129.6982 55.7618 17.8726 179.9317 102 Q 3.8402 7.9040 117.0671 59.0437 28.9961 177.7083 103 L 4.1336 7.3816 118.0305 56.2538 42.0225 178.8250 104 R 3.7545 7.5551 116.2429 58.2957 29.3177 178.9115 105 L 3.3839 7.3582 120.0137 57.3951 41.5917 178.9243 106 A 3.9431 7.6379 120.3166 54.7604 18.3741 177.8414 107 P 4.1577 0.0000 0.0000 65.5820 31.3569 178.0537 108 L 3.7054 7.9090 120.3060 58.4787 41.9283 178.7426 109 Y 4.3660 7.6241 116.1564 60.9853 37.7737 178.3104 110 A 4.0997 8.1728 122.1480 55.1671 18.4086 179.8548 111 S 4.0299 8.3288 112.8247 61.4989 62.9279 176.6614 112 A 4.1011 8.1941 124.4407 54.9123 18.1693 179.8439 113 R 4.0308 8.3742 116.4685 59.4103 30.1843 179.1674 114 A 4.1050 8.2869 120.6019 55.1018 18.3303 179.4629 115 L 3.8264 8.4732 119.2395 58.1544 42.1348 179.3142 116 W 4.1425 8.6003 119.2671 59.4003 28.8147 178.3587 117 L 4.0110 8.2719 120.6616 58.0503 41.4746 178.9064 118 L 3.9153 7.9855 118.9995 57.7893 41.5202 179.6252 119 V 3.4960 8.0690 118.1873 66.0481 31.3633 177.9872 120 A 4.0877 8.2827 120.5078 55.0473 18.1022 179.6715 121 L 3.3655 8.1348 117.6246 57.5168 41.5505 179.3649 122 A 4.0479 8.1707 120.6737 55.2862 18.2585 179.5139 123 A 3.9576 8.3791 119.4952 55.3515 18.3997 179.8884 124 L 4.1186 8.3829 117.9413 57.8691 41.7130 179.9195 125 G 3.9898 8.5879 107.3764 47.4336 0.0000 175.7533 126 L 3.9521 8.2846 121.8027 57.2364 41.5535 179.2630 127 L 4.0606 8.4162 120.4522 58.2731 41.8244 178.8910 128 A 4.0641 8.1463 119.6249 55.3756 18.3386 178.8880 129 H 4.1486 8.1044 115.9264 59.2895 30.3793 176.8799 130 F 4.6132 8.3252 118.7855 59.1670 39.3338 178.1065 131 L 4.0399 8.4327 120.7069 57.5041 41.8242 177.0431 132 P 4.2035 0.0000 0.0000 65.7180 31.3760 178.2009 133 A 3.9831 8.1139 118.6525 55.2774 18.3363 179.4214 134 A 3.9740 8.0595 118.9550 55.2900 18.4134 179.8802 135 L 3.9553 8.3802 118.0024 57.8452 41.6831 179.6609 136 R 3.8514 8.3636 118.7589 59.5160 30.1183 178.4049 137 A 4.0669 8.2140 120.2784 55.0273 18.4275 179.5709 138 A 3.9300 7.9607 118.9683 55.1905 18.2913 179.6988 139 L 3.9373 7.9062 116.5514 58.1444 41.9553 179.3857 140 L 4.2267 8.4409 119.2772 57.9533 41.3166 179.9844 141 G 3.6311 7.8875 104.5315 47.5372 0.0000 175.3902 142 R 4.0628 7.7140 118.9212 58.1749 30.1368 177.6113 143 L 4.1270 7.5903 118.8616 55.9168 42.1387 176.9417 144 R 3.8283 7.0261 115.4755 59.1640 27.6834 176.6249 145 T 3.6342 7.4639 105.8459 61.3247 73.8607 173.0554 *146 L 4.0125 7.9333 119.1289 56.7069 41.1023 170.8492 *147 L 3.9330 8.9678 119.4078 55.2276 39.0933 174.2934 *148 P 4.5782 0.0000 0.0000 61.6110 35.0019 177.9694 *149 W 3.0685 8.4390 116.9051 58.6577 28.0181 172.6742 *150 A 4.1825 8.4111 118.8983 54.4140 18.3116 176.8273 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -5 M 8.29 4.39 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 -4 H 9.20 3.57 0.00 3.41 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 9.21 4.03 0.00 3.28 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.72 4.81 0.00 3.18 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.42 4.79 0.00 3.14 3.17 0.00 5.47 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.20 4.89 0.00 3.06 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 H 8.57 4.85 0.00 3.20 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.23 3.98 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.46 7.81 3 D 8.03 4.58 0.00 2.76 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 4 E 7.98 4.36 0.00 2.12 2.01 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 2.29 2.40 0.00 5 V 7.87 4.36 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 0.95 0.00 0.00 1.20 0.00 0.00 6 A 8.01 4.03 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 7 L 8.24 3.93 0.00 1.73 1.66 0.88 0.46 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 8 L 7.75 3.56 0.00 0.50 0.13 0.25 0.42 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 9 A 8.24 4.30 1.56 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 0.00 0.00 10 A 8.18 3.95 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 11 V 7.91 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.01 0.00 0.00 12 T 8.25 4.10 4.69 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 1.43 0.00 0.00 13 L 8.29 4.05 0.00 1.92 1.87 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.39 4.05 0.00 1.93 1.96 0.90 1.21 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 15 G 8.52 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 16 V 8.24 3.48 2.31 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 1.11 0.00 0.00 1.21 0.00 0.00 17 L 8.05 3.89 0.00 1.85 1.64 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.93 3.55 0.00 1.64 1.54 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.70 3.60 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 20 A 7.98 3.92 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 21 Y 7.88 3.98 0.00 2.89 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 22 F 7.58 3.58 0.00 3.00 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 23 S 8.06 4.18 0.00 4.02 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 24 L 8.05 4.05 0.00 1.75 1.70 0.96 0.90 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 25 Q 8.15 3.97 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 1.72 2.07 0.00 26 V 8.00 3.69 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 1.32 0.00 0.00 1.11 0.00 0.00 27 I 7.91 3.79 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.94 0.00 0.00 28 S 8.44 4.10 0.00 3.90 4.09 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 0.00 0.00 0.00 29 A 8.63 4.16 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 0.00 0.00 0.00 0.00 0.00 30 R 8.60 3.78 0.00 2.18 2.06 0.00 3.22 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.15 0.00 31 R 7.85 3.80 0.00 1.94 1.92 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 32 A 7.55 3.65 0.57 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 0.00 0.00 33 F 7.97 4.78 0.00 3.23 3.07 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 34 R 7.47 3.64 0.00 1.90 1.89 0.00 3.23 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 35 V 8.32 4.07 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 0.34 0.00 0.00 0.19 0.00 0.00 36 S 8.21 4.71 0.00 3.96 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 37 P 0.00 4.37 0.00 2.06 2.04 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 38 P 0.00 4.45 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 39 L 9.36 3.93 0.00 1.67 2.02 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.14 4.57 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 0.97 0.00 0.00 41 T 7.46 4.80 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 1.20 0.00 0.00 42 G 8.60 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 43 P 0.00 4.32 0.00 1.98 1.98 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 44 P 0.00 4.18 0.00 2.04 2.05 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 45 E 7.69 3.65 0.00 1.24 1.85 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 1.47 1.47 0.00 46 F 7.39 3.97 0.00 3.22 3.19 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 47 E 8.23 3.81 0.00 2.00 1.96 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 2.47 2.75 0.00 48 R 7.80 3.25 0.00 1.51 1.62 0.00 3.34 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 49 V 6.84 2.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.77 0.00 0.00 50 Y 7.34 3.82 0.00 2.21 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 51 R 7.71 3.57 0.00 1.90 1.47 0.00 3.28 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 52 A 7.25 4.09 0.77 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 53 Q 7.85 3.91 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 54 V 7.48 3.48 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.19 0.00 0.00 55 N 8.40 4.52 0.00 3.01 2.99 0.00 0.00 7.08 7.18 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 56 C 8.31 4.24 0.00 3.21 3.45 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 57 S 8.31 4.29 0.00 4.08 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 58 E 8.25 4.10 0.00 2.00 2.35 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 1.93 2.20 0.00 59 Y 8.35 4.16 0.00 3.21 3.18 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 60 F 8.23 4.53 0.00 3.48 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 61 P 0.00 4.12 0.00 2.17 2.05 0.00 3.92 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 62 L 7.80 3.88 0.00 1.94 1.63 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.23 3.87 0.00 2.49 3.09 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 0.00 0.00 0.00 64 L 7.56 3.43 0.00 1.53 1.51 0.69 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.05 3.94 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 66 T 7.71 3.85 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 1.14 0.00 0.00 67 L 7.80 3.70 0.00 1.10 1.45 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.00 3.80 0.00 3.52 3.29 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 69 V 8.01 3.82 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 1.10 0.00 0.00 1.00 0.00 0.00 70 A 8.70 4.21 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 71 G 8.17 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 72 I 7.84 3.90 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.42 0.00 0.00 73 F 8.68 4.31 0.00 3.31 3.09 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 0.00 0.00 0.00 74 F 7.85 4.62 0.00 3.25 3.24 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 75 H 7.64 4.28 0.00 2.85 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.27 3.93 0.00 1.94 1.79 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 2.22 2.19 0.00 77 G 7.83 3.62 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 0.00 0.00 0.00 78 A 8.58 4.08 1.53 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 0.00 0.00 79 A 8.15 3.94 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 80 A 8.21 3.90 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 81 L 8.15 3.91 0.00 1.91 1.87 0.95 0.88 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 82 C 8.29 4.32 0.00 3.26 3.05 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 83 G 8.61 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.29 4.09 0.00 1.92 1.77 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.98 3.69 2.35 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 1.17 0.00 0.00 1.03 0.00 0.00 86 Y 8.36 3.97 0.00 3.15 3.04 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 87 L 8.12 3.76 0.00 1.91 1.72 1.18 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.57 4.38 0.00 3.10 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 89 A 8.16 3.77 1.32 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 90 R 7.86 3.75 0.00 1.74 2.04 0.00 3.08 0.00 0.00 2.66 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.13 0.00 91 L 8.25 4.36 0.00 1.88 1.93 1.16 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.83 3.84 0.00 1.78 1.77 0.00 2.92 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.00 93 Y 8.27 3.95 0.00 2.93 3.09 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 0.00 0.00 0.00 94 F 8.38 3.70 0.00 2.71 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 95 Q 8.42 4.16 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 96 G 8.32 3.55 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 0.00 0.00 0.00 97 Y 7.71 4.17 0.00 2.36 2.29 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 98 A 7.41 3.76 1.09 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 0.00 0.00 0.00 0.00 0.00 99 R 7.13 4.05 0.00 2.04 1.95 0.00 3.20 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 100 S 8.15 4.45 0.00 3.73 3.58 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 0.00 101 A 8.92 3.83 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 0.00 102 Q 7.90 3.84 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 103 L 7.38 4.13 0.00 1.86 1.61 0.88 0.94 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 0.00 104 R 7.56 3.75 0.00 1.08 1.41 0.00 2.21 0.00 0.00 2.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.00 105 L 7.36 3.38 0.00 1.42 1.17 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.64 3.94 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 0.00 107 P 0.00 4.16 0.00 2.44 2.20 0.00 3.71 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 2.16 1.92 0.00 108 L 7.91 3.71 0.00 1.96 1.64 0.51 0.74 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 0.00 109 Y 7.62 4.37 0.00 3.17 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 0.00 110 A 8.17 4.10 1.38 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 0.00 0.00 0.00 111 S 8.33 4.03 0.00 3.53 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 0.00 112 A 8.19 4.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 4.03 0.00 2.11 2.08 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 114 A 8.29 4.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 3.83 0.00 1.81 1.56 0.66 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 116 W 8.60 4.14 0.00 3.57 3.23 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 0.00 117 L 8.27 4.01 0.00 1.97 1.90 0.90 0.48 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 0.00 118 L 7.99 3.92 0.00 1.89 1.64 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.07 3.50 2.24 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 1.17 0.00 0.00 0.56 0.00 0.00 120 A 8.28 4.09 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 0.00 121 L 8.13 3.37 0.00 1.49 1.15 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.17 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.38 3.96 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 0.00 124 L 8.38 4.12 0.00 1.93 1.93 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.59 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 0.00 126 L 8.28 3.95 0.00 1.85 1.84 0.81 -0.31 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 0.00 127 L 8.42 4.06 0.00 2.09 1.83 0.97 1.51 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 0.00 128 A 8.15 4.06 1.46 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 0.00 0.00 0.00 129 H 8.10 4.15 0.00 3.27 3.35 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.33 4.61 0.00 3.16 3.02 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 0.00 131 L 8.43 4.04 0.00 1.88 1.83 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.20 0.00 2.19 2.09 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 133 A 8.11 3.98 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 0.00 134 A 8.06 3.97 1.44 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 0.00 0.00 135 L 8.38 3.96 0.00 1.82 1.74 0.94 0.74 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 0.00 136 R 8.36 3.85 0.00 1.86 2.07 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 137 A 8.21 4.07 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 0.00 138 A 7.96 3.93 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 0.00 139 L 7.91 3.94 0.00 1.77 1.76 0.96 1.32 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 0.00 140 L 8.44 4.23 0.00 1.82 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.89 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.71 4.06 0.00 2.05 2.18 0.00 3.31 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 143 L 7.59 4.13 0.00 1.91 1.67 0.92 1.50 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 0.00 144 R 7.03 3.83 0.00 1.93 2.25 0.00 3.32 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 145 T 7.46 3.63 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 *146 L 7.93 4.01 0.00 1.89 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 *147 L 8.97 3.93 0.00 1.83 1.66 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *148 P 0.00 4.58 0.00 2.03 1.43 0.00 3.81 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 1.84 1.58 0.00 *149 W 8.44 3.07 0.00 2.58 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 0.00 0.00 0.00 0.00 *150 A 8.41 4.18 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 * Residues marked with a * may have inaccurate shift predictions.