NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4478 8.1500 121.1067 55.9401 30.9529 176.3403 4 I 3.9043 7.5910 118.9210 62.2209 38.1032 173.6449 5 E 4.2411 8.8221 117.9363 57.8165 30.0619 177.7856 6 D 4.5024 7.8048 119.8151 57.1629 41.3920 178.5749 7 K 4.0866 7.6733 117.5335 59.3705 31.9810 179.1964 8 I 3.9170 7.7584 119.4163 63.4629 36.9488 177.8157 9 E 4.1894 8.4086 120.2286 58.6019 29.4026 178.6006 10 E 3.9380 8.0220 119.0579 59.4338 30.0502 178.5795 11 I 3.7212 7.8926 119.8091 64.5179 36.9529 178.3964 12 L 4.1305 7.6726 118.3935 57.5728 41.3647 179.6863 13 S 4.2637 7.8373 115.5255 61.7352 62.8480 176.1018 14 K 3.8855 8.3017 120.9891 59.8731 31.5990 178.9378 15 I 3.8535 7.7304 119.9054 64.9764 37.0777 177.6344 16 Y 4.1695 7.8041 120.2336 61.1076 38.6831 177.5216 17 H 4.0534 8.5806 117.3973 58.1021 28.8531 176.9673 18 I 4.0938 8.2928 113.5456 62.1061 37.2633 177.4245 19 E 4.1484 7.6175 120.9044 58.9749 29.5387 178.3982 20 N 4.2522 7.5778 116.4084 56.0813 38.4828 177.1053 21 E 3.8924 8.1073 119.4479 59.5991 29.6890 179.1175 22 I 3.5857 7.3345 118.0107 64.5982 37.3365 177.9850 23 A 3.9940 7.7585 122.4379 55.9509 18.2976 180.4086 24 R 3.8959 8.0129 118.8199 61.4656 29.5380 180.8805 25 I 3.8020 8.4815 119.6814 64.1508 37.8486 178.0897 26 K 3.9266 7.8679 117.6896 59.4743 32.0852 179.2038 27 K 4.1332 7.8627 118.4563 59.4619 31.9743 179.4129 28 L 4.1248 8.0083 121.5177 58.1850 40.8125 180.0573 29 I 3.8518 7.6427 120.2300 65.0716 35.1710 182.8377 30 G 3.8528 8.3280 109.2427 48.5426 0.0000 175.9575 31 E 3.8971 7.8350 120.4039 61.0665 29.5597 180.7043 32 A 4.0754 7.4300 117.9749 55.2590 18.5211 179.2744 *51 D 4.0714 8.0228 115.3375 54.3041 43.3581 178.4928 52 G 3.6726 8.5106 108.8557 48.2121 0.0000 176.4515 53 L 4.4215 8.5159 124.5525 58.2816 40.7396 180.5727 54 I 4.1295 8.4144 119.5880 64.3934 38.3584 177.8351 55 E 4.3222 8.2925 119.5087 60.8035 29.9228 182.4767 56 G 3.8949 8.5458 107.0574 47.1729 0.0000 175.5389 57 L 4.0886 7.5675 122.4433 57.9175 41.8588 178.6176 58 R 4.1563 7.9578 117.7418 58.4332 29.9980 177.6671 59 Q 4.3415 7.8111 118.5767 58.1785 29.5635 177.0130 60 L 3.9228 7.8345 121.0122 58.0320 41.8092 178.7757 61 A 3.9470 7.8884 119.7816 54.2399 18.2411 179.0540 62 N 4.3299 7.4706 116.4126 56.6005 39.2288 176.8377 63 E 3.9520 8.0761 119.8418 59.7385 29.6173 179.3830 64 T 3.8448 7.9118 115.5777 67.1794 68.3874 176.4622 65 T 3.9001 7.3598 112.5458 65.1367 66.9592 175.5894 66 Q 4.1710 7.9643 119.7084 58.5949 28.4919 178.0538 67 A 4.1521 8.3065 121.6630 54.7226 18.2842 179.5487 68 L 4.3107 8.1463 117.7421 57.6849 41.6921 179.2313 69 Q 4.1576 7.7966 116.8847 58.2126 28.7615 178.0414 70 L 4.1118 7.8490 119.4604 57.0313 41.7165 178.9526 71 F 4.1645 7.8858 117.0312 60.1000 38.9456 177.5704 72 L 3.8636 7.9427 120.2643 57.9352 41.7054 178.9085 73 R 3.8132 7.8427 118.2293 59.2677 30.0934 178.1966 74 A 3.9826 8.0222 120.2657 55.6936 18.6167 179.5235 75 T 3.9052 8.6494 115.0624 67.2414 68.5825 176.7666 76 T 4.1206 8.0621 111.1407 64.3821 68.9560 176.7971 77 E 4.0498 7.9155 122.0871 59.1842 29.4308 179.1323 78 L 4.0865 8.0326 119.2474 57.5894 41.6855 179.4023 79 R 3.9397 7.9583 118.2683 59.7909 30.0807 178.6407 80 T 3.8605 7.8761 115.2971 66.7419 68.3946 176.2583 81 F 4.1171 8.3026 122.4824 61.6117 39.5056 177.1379 82 S 4.0906 8.5134 112.6400 61.2461 62.0003 176.1028 83 I 3.9390 7.8188 122.5919 63.9012 36.6951 178.2386 84 L 3.9941 7.7945 120.1329 57.4510 41.5577 178.8144 85 N 4.3030 7.6566 116.1260 55.2806 38.4286 176.9911 86 R 4.0953 7.4241 118.9349 58.3236 29.8475 178.1604 87 K 3.9470 7.7052 119.6070 59.1892 32.1561 178.7529 88 A 4.0585 7.7772 121.3316 55.2954 18.2892 179.7654 89 I 3.8224 7.7404 117.7500 64.2642 36.8382 178.4165 90 D 4.4379 8.0864 119.7069 56.9083 40.9922 178.2678 91 F 4.3001 7.9437 120.7572 61.4492 39.3267 177.3046 92 L 3.9572 7.8644 117.0298 57.7330 41.7809 178.1137 93 L 4.7693 7.8701 116.6462 54.9394 41.7790 178.4013 94 Q 3.9333 8.2257 125.3411 59.8508 29.1270 178.3393 95 R 4.0587 7.5790 115.1692 55.5650 29.2496 179.1986 96 W 4.7281 8.1398 114.4746 58.4060 32.7581 175.9565 97 G 3.8016 7.8255 108.0190 44.7282 0.0000 174.9058 98 G 4.0823 8.3456 104.9322 45.4572 0.0000 174.9037 99 T 3.8467 8.5753 115.0313 67.0232 68.1113 177.4685 100 C 4.0562 8.3405 117.3015 59.7386 39.8854 175.4066 101 H 4.2854 8.0597 119.3952 58.8776 29.8375 176.8864 102 I 3.8504 7.7442 119.9010 63.6254 37.1365 177.3585 103 L 4.3966 8.7517 119.0777 56.2411 42.9858 177.0531 104 G 3.8616 7.9992 104.5777 43.8917 0.0000 172.1470 105 P 4.4148 0.0000 0.0000 64.8439 31.5383 177.7410 106 D 4.5062 8.0915 117.7514 56.4292 40.5313 176.6823 107 C 4.4962 7.8486 113.7967 57.5461 41.7076 175.1152 108 R 4.0361 7.8940 119.7439 56.5838 30.3650 176.8979 109 I 3.8688 7.0128 120.1619 61.2726 37.5607 175.0637 110 E 4.7312 8.3476 124.4506 53.5810 32.7788 172.8741 111 P 4.4369 0.0000 0.0000 62.6907 31.9295 176.1818 112 H 4.3685 8.8106 122.7084 55.8092 30.5593 174.4180 113 D 4.5087 7.2786 122.2325 52.8214 40.0991 175.7495 114 W 4.4798 8.2665 124.4618 56.7174 29.1676 177.6848 115 T 3.9267 7.7493 118.4811 66.9136 67.8764 176.2583 116 K 3.9531 7.9540 120.5495 59.4818 32.2320 178.1183 117 N 4.4276 8.2916 116.3013 56.8339 38.6623 177.2462 118 I 3.8109 8.2871 121.1257 64.5669 37.1452 178.7242 119 T 3.8888 8.2177 116.9037 66.9008 68.3997 176.3472 120 D 4.4194 8.8606 121.2330 57.3721 40.8509 178.9109 121 K 4.0741 8.0050 119.9570 59.3519 31.7086 179.0087 122 I 3.8660 7.8348 119.8992 64.0312 36.9618 177.9376 123 D 4.5139 8.1140 120.0723 56.7444 40.6571 178.5744 124 Q 3.9746 7.9056 119.8702 59.4319 29.2471 177.9397 125 I 3.9163 7.7320 120.7099 64.9553 37.0216 178.2255 126 I 3.7985 7.6342 119.4342 64.2392 36.8059 177.4631 127 H 4.3690 8.1927 120.1035 59.0830 29.8068 176.7474 128 D 4.3753 8.6315 119.1659 56.5101 40.6893 177.6284 129 F 4.5809 8.1633 115.7178 58.7783 40.9323 177.2257 130 V 3.8009 8.0389 117.3814 65.1747 31.8748 175.4125 131 D 4.5329 7.9436 123.1169 53.3381 39.6017 175.9836 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 3 Q 8.15 4.45 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 4 I 7.59 3.90 1.87 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 1.52 1.35 0.91 0.00 0.00 5 E 8.82 4.24 0.00 1.96 1.98 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 2.31 2.46 0.00 6 D 7.80 4.50 0.00 2.81 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 7 K 7.67 4.09 0.00 1.89 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 I 7.76 3.92 1.97 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 1.53 1.25 0.91 0.00 0.00 9 E 8.41 4.19 0.00 2.11 1.98 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 2.70 2.44 0.00 10 E 8.02 3.94 0.00 2.04 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 2.38 2.40 0.00 11 I 7.89 3.72 1.98 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 1.53 0.79 0.93 0.00 0.00 12 L 7.67 4.13 0.00 1.96 1.73 0.92 0.97 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 13 S 7.84 4.26 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.30 3.89 0.00 2.07 1.86 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 15 I 7.73 3.85 2.01 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 1.43 0.61 0.95 0.00 0.00 16 Y 7.80 4.17 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.58 4.05 0.00 3.32 3.35 0.00 5.86 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 18 I 8.29 4.09 1.87 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 1.52 0.68 0.97 0.00 0.00 19 E 7.62 4.15 0.00 2.08 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 2.26 2.42 0.00 20 N 7.58 4.25 0.00 2.71 2.72 0.00 0.00 6.91 8.74 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 21 E 8.11 3.89 0.00 1.94 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 0.00 2.37 2.33 0.00 22 I 7.33 3.59 2.01 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 1.13 0.89 0.00 0.00 23 A 7.76 3.99 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 24 R 8.01 3.90 0.00 1.85 1.96 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 25 I 8.48 3.80 2.02 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 1.51 1.42 0.94 0.00 0.00 26 K 7.87 3.93 0.00 2.06 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 27 K 7.86 4.13 0.00 2.09 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 28 L 8.01 4.12 0.00 1.91 1.72 0.92 0.74 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 29 I 7.64 3.85 1.87 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 1.45 0.72 0.91 0.00 0.00 30 G 8.33 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.83 3.90 0.00 1.96 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 2.26 2.25 0.00 32 A 7.43 4.08 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 *51 D 8.02 4.07 0.00 3.00 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 52 G 8.51 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.52 4.42 0.00 1.63 1.69 0.92 1.00 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 54 I 8.41 4.13 2.02 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 1.39 1.26 0.97 0.00 0.00 55 E 8.29 4.32 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 56 G 8.55 3.89 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 0.00 0.00 0.00 57 L 7.57 4.09 0.00 2.16 1.92 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.96 4.16 0.00 1.97 2.09 0.00 3.16 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 59 Q 7.81 4.34 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 60 L 7.83 3.92 0.00 1.94 1.60 0.87 0.72 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 61 A 7.89 3.95 1.27 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 0.00 0.00 0.00 62 N 7.47 4.33 0.00 3.05 2.96 0.00 0.00 7.02 7.53 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 63 E 8.08 3.95 0.00 2.07 1.99 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 2.35 2.50 0.00 64 T 7.91 3.84 4.42 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 1.16 0.00 0.00 65 T 7.36 3.90 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 66 Q 7.96 4.17 0.00 2.45 2.13 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 2.37 2.38 0.00 67 A 8.31 4.15 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 68 L 8.15 4.31 0.00 1.92 1.78 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.80 4.16 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 70 L 7.85 4.11 0.00 1.50 1.49 0.83 1.09 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 71 F 7.89 4.16 0.00 3.30 3.06 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 72 L 7.94 3.86 0.00 1.89 1.89 0.99 0.98 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 73 R 7.84 3.81 0.00 2.14 2.07 0.00 3.20 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 74 A 8.02 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 75 T 8.65 3.91 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 76 T 8.06 4.12 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 1.39 0.00 0.00 77 E 7.92 4.05 0.00 2.16 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 2.33 2.51 0.00 78 L 8.03 4.09 0.00 1.92 1.78 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.96 3.94 0.00 2.11 2.13 0.00 3.14 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 1.68 1.75 0.00 80 T 7.88 3.86 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 1.26 0.00 0.00 81 F 8.30 4.12 0.00 3.23 3.27 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 0.00 82 S 8.51 4.09 0.00 4.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.82 3.94 2.03 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 1.54 0.79 0.91 0.00 0.00 84 L 7.79 3.99 0.00 1.91 1.52 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.66 4.30 0.00 2.80 2.76 0.00 0.00 6.52 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 86 R 7.42 4.10 0.00 1.98 2.06 0.00 3.15 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 87 K 7.71 3.95 0.00 1.83 1.97 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 88 A 7.78 4.06 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 89 I 7.74 3.82 1.88 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 1.52 1.60 0.91 0.00 0.00 90 D 8.09 4.44 0.00 2.95 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 91 F 7.94 4.30 0.00 3.19 3.32 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 92 L 7.86 3.96 0.00 1.79 1.84 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.87 4.77 0.00 1.80 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.23 3.93 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.20 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 95 R 7.58 4.06 0.00 1.87 1.78 0.00 3.36 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 96 W 8.14 4.73 0.00 3.58 3.03 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 97 G 7.83 3.80 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 0.00 0.00 0.00 98 G 8.35 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 99 T 8.58 3.85 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 1.21 0.00 0.00 100 C 8.34 4.06 0.00 2.99 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 0.00 101 H 8.06 4.29 0.00 3.19 3.61 0.00 5.75 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 0.00 102 I 7.74 3.85 1.83 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 1.84 0.77 0.79 0.00 0.00 103 L 8.75 4.40 0.00 1.63 1.70 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.00 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 0.00 105 P 0.00 4.41 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 106 D 8.09 4.51 0.00 2.68 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 0.00 107 C 7.85 4.50 0.00 3.14 3.26 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 0.00 108 R 7.89 4.04 0.00 1.99 2.03 0.00 3.22 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 109 I 7.01 3.87 2.00 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 1.20 0.48 0.94 0.00 0.00 110 E 8.35 4.73 0.00 1.87 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 2.21 2.33 0.00 111 P 0.00 4.44 0.00 2.15 2.07 0.00 3.77 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 2.08 2.12 0.00 112 H 8.81 4.37 0.00 2.93 3.04 0.00 5.90 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 0.00 113 D 7.28 4.51 0.00 2.52 2.36 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 0.00 114 W 8.27 4.48 0.00 3.45 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 0.00 115 T 7.75 3.93 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 1.24 0.00 0.00 116 K 7.95 3.95 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.55 7.81 117 N 8.29 4.43 0.00 3.31 3.11 0.00 0.00 7.11 7.32 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 0.00 118 I 8.29 3.81 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.35 0.96 0.00 0.00 119 T 8.22 3.89 4.57 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 1.24 0.00 0.00 120 D 8.86 4.42 0.00 2.83 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 0.00 121 K 8.00 4.07 0.00 1.86 1.82 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.54 7.81 122 I 7.83 3.87 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.98 0.00 0.00 123 D 8.11 4.51 0.00 2.98 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 0.00 124 Q 7.91 3.97 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 125 I 7.73 3.92 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 0.81 0.00 0.00 126 I 7.63 3.80 2.07 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 1.45 0.81 0.97 0.00 0.00 127 H 8.19 4.37 0.00 3.21 3.60 0.00 5.60 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 0.00 128 D 8.63 4.38 0.00 3.06 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 0.00 129 F 8.16 4.58 0.00 3.10 3.12 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 0.00 0.00 0.00 0.00 130 V 8.04 3.80 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 0.81 0.00 0.00 1.03 0.00 0.00 131 D 7.94 4.53 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.