NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3711 8.0333 111.0858 61.2761 69.1760 172.9127 2 W 4.3259 7.7584 120.7533 55.7434 30.8510 176.2724 3 G 4.1366 8.0842 109.8014 46.2417 0.0000 171.8569 4 V 5.2679 8.7237 119.4173 61.1702 35.3114 174.5527 5 S 4.7550 9.6229 121.3799 56.9200 65.1050 172.7855 6 S 5.2673 8.7363 121.8342 55.9378 66.8553 172.4689 7 P 4.4910 0.0000 0.0000 62.7931 32.0078 177.8682 8 K 4.2182 8.7232 120.2908 59.2364 33.1204 176.9119 9 N 5.6619 8.0202 114.4694 51.7138 42.7846 174.6006 10 V 4.6516 8.8324 114.3658 59.8661 36.4254 174.4085 11 Q 5.0922 8.7560 121.3896 54.3727 32.3921 174.7144 12 G 4.2743 8.8231 108.2701 44.9593 0.0000 171.0745 13 L 5.1608 8.2492 119.4190 52.7092 43.8075 176.7112 14 S 4.3445 8.4819 118.1062 59.9985 62.7175 174.8485 15 G 3.9652 9.3645 115.9589 45.3538 0.0000 173.0003 16 S 5.0705 7.7084 116.6087 56.9838 66.1528 172.5636 17 C 5.3516 8.5294 113.9985 57.1943 32.8802 173.1600 18 L 4.6638 8.8814 121.0026 53.4215 45.5407 174.2286 19 L 4.9256 8.4883 127.4688 53.4107 44.1695 175.3462 20 I 4.3285 8.7672 128.5126 58.8528 38.2418 173.5303 21 P 4.8636 0.0000 0.0000 63.3541 32.1264 176.3951 22 C 5.3435 9.2067 120.7561 55.7510 45.0276 172.5860 23 I 5.4004 8.7372 118.3947 59.5025 41.1060 173.7300 24 F 5.5376 8.2911 117.5484 56.1029 41.3885 173.2362 25 S 4.5293 9.3102 113.2716 57.5767 66.4627 172.3686 26 Y 4.4861 7.1814 117.1856 55.0987 40.9719 172.4455 27 P 4.1364 0.0000 0.0000 62.9388 31.7753 177.7640 28 A 3.8603 8.5686 126.9017 54.7289 18.5542 177.8294 29 D 4.6155 7.9905 113.1961 53.7698 39.7502 175.9945 30 V 4.3298 7.3833 120.2863 60.9268 33.1081 175.3414 31 P 4.5057 0.0000 0.0000 62.3007 32.2561 175.5252 *35 G 3.7681 8.3126 106.1687 45.9165 0.0000 171.5479 36 I 4.7185 8.1470 120.2578 59.6283 39.5007 175.3229 37 T 4.4588 8.9647 124.3388 62.5488 70.0877 173.5210 38 A 4.8795 8.5709 127.8643 50.3026 21.8168 175.4420 39 I 4.8539 8.1878 122.3553 59.2903 41.7775 174.2262 40 W 5.1405 8.8867 126.3659 55.1854 31.8850 174.5813 41 Y 5.3988 9.5542 122.0963 56.4969 41.1829 173.8854 42 Y 4.7016 8.9368 122.5900 56.1064 41.7833 175.0736 43 D 4.3382 8.0050 126.0760 54.9905 40.0979 173.8147 44 Y 3.7086 7.9142 120.8109 60.8570 39.3184 177.0850 45 S 4.3142 8.1664 112.6273 59.6986 64.4792 174.5377 46 G 3.6237 8.2774 108.0229 46.2720 0.0000 175.4904 47 K 3.9501 5.9309 126.7223 55.4462 33.1120 179.3216 48 R 3.7559 7.9910 116.1891 57.7578 28.4987 175.0320 49 Q 4.7269 8.4537 118.6587 54.7660 31.7529 176.4763 50 V 4.1315 8.4725 122.6727 62.8268 32.3610 176.2560 51 V 3.5868 8.8480 128.7385 64.5982 32.4320 176.1598 52 I 4.7996 7.5409 119.3356 60.0353 41.5747 174.4942 53 H 4.6145 8.6638 125.4310 55.3479 31.2085 173.6699 54 S 3.9390 9.1511 124.1065 61.5734 62.7869 176.7991 55 G 3.6712 8.4179 108.0341 48.0020 0.0000 173.3270 56 D 4.4279 7.8249 122.2322 52.0518 42.7776 173.7650 57 P 4.4216 0.0000 0.0000 65.0057 31.5843 179.1198 58 K 4.1350 8.2221 117.0421 58.8210 32.0011 178.1680 59 L 4.1793 7.7712 117.7693 56.2568 41.8850 177.7050 60 V 3.8977 7.2840 118.9444 62.4275 32.1931 175.2449 61 D 4.6088 9.1997 126.9714 53.9842 41.9619 177.1106 62 K 3.9682 8.9139 124.8811 59.6441 32.2290 179.4641 63 R 3.8267 7.9141 113.6778 58.1416 29.4537 177.2031 64 F 4.6108 8.0374 116.0682 56.7914 39.9743 174.9526 65 R 3.9464 7.5175 121.3993 57.8878 29.7193 176.1096 66 G 3.9731 9.0616 112.5042 46.1964 0.0000 173.1663 67 R 4.7603 8.5078 116.4048 55.4209 32.0971 174.9315 68 A 5.1982 7.9161 119.7561 50.5272 22.4279 175.6640 69 E 4.7086 8.9595 119.1633 54.6016 34.6861 174.2780 70 L 4.6245 8.5827 125.3487 54.4377 42.9844 176.6594 71 M 4.7047 8.9828 129.2253 55.5572 32.1489 175.8518 72 G 4.3307 7.8819 110.0396 44.7729 0.0000 172.7895 73 N 4.6853 8.7053 120.4742 51.8578 41.4008 175.9729 74 M 4.4187 9.0720 126.9814 58.9777 31.8741 178.4577 75 D 4.5166 8.2520 117.7964 56.9005 41.0488 177.4415 76 H 4.5399 8.1763 114.2399 54.5394 29.3813 175.1154 77 K 2.5382 7.7260 119.8786 56.9628 29.9606 174.6986 78 V 4.7535 7.6834 118.6237 60.8828 33.7296 174.3998 79 C 5.1094 8.7834 122.9949 54.9602 40.6466 173.6419 80 N 4.5689 8.3796 116.1378 54.9202 39.3456 173.2728 81 L 4.7738 8.3941 124.7052 52.9355 44.9017 174.4662 82 L 4.9003 8.6736 128.4829 53.2474 44.4497 174.6505 83 L 5.0934 8.8614 126.5711 52.9289 44.0997 175.8227 84 K 4.6824 9.1165 123.0725 54.1919 35.0662 175.3283 85 D 4.2812 8.4830 118.9577 54.7655 39.6166 174.0574 86 L 4.2783 7.9712 119.2733 55.4159 42.9399 177.4330 87 K 4.9492 9.2312 121.4998 53.5095 35.7223 175.5994 88 P 4.3230 0.0000 0.0000 66.0154 31.0550 177.6930 89 E 4.2703 8.0625 113.5293 57.2625 29.6024 176.8886 90 D 4.5119 8.2440 119.7244 55.6524 41.4033 177.1296 91 S 4.5370 8.0975 116.3578 58.0064 63.6210 175.0868 92 G 4.0395 7.7989 110.4972 45.4965 0.0000 170.7052 93 T 5.2363 7.7473 115.9219 62.2091 71.0024 173.4902 94 Y 5.3232 9.5647 123.7180 56.4270 41.0963 174.5008 95 N 5.5050 9.5044 120.5062 51.5069 42.6268 173.1928 96 F 4.3957 8.3705 124.5876 56.6853 41.6931 174.2777 97 R 4.7878 7.5612 124.8144 54.3831 33.7494 173.6288 98 F 5.0867 8.3390 119.8511 54.9402 41.8158 173.4338 99 E 4.7861 9.1031 119.6016 55.1453 32.1917 176.5110 100 I 3.8846 9.0262 125.8342 62.9157 38.4640 176.9789 *103 S 4.3579 7.8759 112.6213 58.1255 63.9466 173.3878 104 N 4.5931 7.9838 120.4094 53.1368 36.7830 174.2464 105 R 5.0499 7.4530 121.3669 54.7975 34.4333 173.0340 106 W 4.5856 8.2467 127.2408 56.7338 34.5636 172.9126 107 L 4.7125 7.1979 128.5273 52.9610 43.9721 174.9845 108 D 4.5896 8.7664 126.8669 53.7375 41.3403 176.5305 109 V 3.7072 8.1254 119.9168 62.9539 32.0489 177.8272 110 K 3.9393 8.1677 119.3913 58.3884 32.2819 179.0198 111 G 4.1124 8.5663 106.1784 45.1592 0.0000 172.1891 112 T 4.9583 8.9070 114.5666 61.0158 71.8436 173.7584 113 T 5.0515 9.0686 123.7640 62.4669 70.4996 173.8467 114 V 4.9764 9.3694 126.8064 61.5056 34.3499 174.4247 115 T 4.9293 8.6411 123.4962 61.8333 71.6687 172.8337 116 V 4.7000 8.7916 127.5613 61.6137 32.9970 175.0575 117 T 4.6584 8.5595 122.4504 61.1430 70.3604 172.3093 118 T 4.8746 7.9515 117.7847 60.6093 71.0857 173.1237 119 D 4.5290 8.5181 122.3158 54.5935 40.9227 176.6563 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 T 8.03 4.37 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 2 W 7.76 4.33 0.00 1.92 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 0.00 0.00 0.00 3 G 8.08 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.72 5.27 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 1.05 0.00 0.00 1.57 0.00 0.00 5 S 9.62 4.75 0.00 3.91 3.71 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 6 S 8.74 5.27 0.00 3.94 3.90 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 0.00 0.00 0.00 7 P 0.00 4.49 0.00 2.22 2.01 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 8 K 8.72 4.22 0.00 1.76 1.90 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.52 7.81 9 N 8.02 5.66 0.00 2.57 2.69 0.00 0.00 6.65 7.68 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 10 V 8.83 4.65 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 0.86 0.00 0.00 0.96 0.00 0.00 11 Q 8.76 5.09 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 12 G 8.82 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 0.00 0.00 0.00 0.00 13 L 8.25 5.16 0.00 1.60 1.58 0.92 0.77 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 14 S 8.48 4.34 0.00 3.94 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 15 G 9.36 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.71 5.07 0.00 3.93 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 17 C 8.53 5.35 0.00 3.01 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 18 L 8.88 4.66 0.00 1.64 1.36 0.94 0.39 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 19 L 8.49 4.93 0.00 1.59 1.47 0.85 0.99 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 20 I 8.77 4.33 1.44 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.15 0.90 0.00 0.00 21 P 0.00 4.86 0.00 2.09 2.05 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 22 C 9.21 5.34 0.00 3.26 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 23 I 8.74 5.40 1.80 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 1.45 1.07 0.88 0.00 0.00 24 F 8.29 5.54 0.00 3.10 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 25 S 9.31 4.53 0.00 3.57 3.73 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 26 Y 7.18 4.49 0.00 1.44 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 0.00 0.00 0.00 27 P 0.00 4.14 0.00 2.07 2.01 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 28 A 8.57 3.86 1.15 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 0.00 0.00 29 D 7.99 4.62 0.00 2.80 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 30 V 7.38 4.33 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 0.94 0.00 0.00 1.11 0.00 0.00 31 P 0.00 4.51 0.00 2.26 2.07 0.00 3.93 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 2.04 2.01 0.00 *35 G 8.31 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 36 I 8.15 4.72 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 1.03 0.00 0.00 37 T 8.96 4.46 4.21 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 1.15 0.00 0.00 38 A 8.57 4.88 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 0.00 0.00 39 I 8.19 4.85 1.46 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 0.73 0.50 0.21 0.00 0.00 40 W 8.89 5.14 0.00 3.31 3.14 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 0.00 0.00 0.00 0.00 41 Y 9.55 5.40 0.00 3.05 2.98 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 42 Y 8.94 4.70 0.00 2.62 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 43 D 8.00 4.34 0.00 1.81 2.23 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 44 Y 7.91 3.71 0.00 2.90 2.88 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 45 S 8.17 4.31 0.00 3.89 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 46 G 8.28 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 47 K 5.93 3.95 0.00 1.79 1.74 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 48 R 7.99 3.76 0.00 1.58 1.70 0.00 2.73 0.00 0.00 2.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.00 49 Q 8.45 4.73 0.00 2.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 50 V 8.47 4.13 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 1.04 0.00 0.00 1.07 0.00 0.00 51 V 8.85 3.59 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 0.46 0.00 0.00 0.39 0.00 0.00 52 I 7.54 4.80 2.14 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 1.24 0.84 1.08 0.00 0.00 53 H 8.66 4.61 0.00 3.16 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.15 3.94 0.00 3.91 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 55 G 8.42 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 56 D 7.82 4.43 0.00 2.42 2.38 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 57 P 0.00 4.42 0.00 2.24 2.12 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 58 K 8.22 4.13 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 59 L 7.77 4.18 0.00 1.72 1.72 0.73 0.66 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 60 V 7.28 3.90 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 0.92 0.00 0.00 1.08 0.00 0.00 61 D 9.20 4.61 0.00 3.07 2.85 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 62 K 8.91 3.97 0.00 1.81 1.85 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.40 7.81 63 R 7.91 3.83 0.00 1.47 1.85 0.00 2.83 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.50 0.00 64 F 8.04 4.61 0.00 3.19 3.10 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 65 R 7.52 3.95 0.00 1.78 2.03 0.00 3.44 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 66 G 9.06 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.51 4.76 0.00 1.92 2.07 0.00 3.22 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 68 A 7.92 5.20 1.16 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 0.00 0.00 69 E 8.96 4.71 0.00 1.86 1.78 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 2.23 2.25 0.00 70 L 8.58 4.62 0.00 1.75 1.65 1.26 1.03 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 71 M 8.98 4.70 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 72 G 7.88 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 73 N 8.71 4.69 0.00 2.63 2.59 0.00 0.00 7.63 7.27 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 74 M 9.07 4.42 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.73 0.00 75 D 8.25 4.52 0.00 2.97 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 76 H 8.18 4.54 0.00 3.20 3.27 0.00 5.79 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 77 K 7.73 2.54 0.00 1.56 1.30 0.00 0.97 0.00 0.00 1.02 0.00 0.00 2.35 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.01 1.08 7.81 78 V 7.68 4.75 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 1.06 0.00 0.00 0.93 0.00 0.00 79 C 8.78 5.11 0.00 1.63 2.18 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 80 N 8.38 4.57 0.00 2.69 2.78 0.00 0.00 6.45 6.74 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 81 L 8.39 4.77 0.00 0.27 0.42 0.50 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.67 4.90 0.00 1.69 1.41 0.88 0.49 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 83 L 8.86 5.09 0.00 1.41 1.45 0.33 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.12 4.68 0.00 1.55 1.68 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.31 7.81 85 D 8.48 4.28 0.00 2.71 2.63 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 86 L 7.97 4.28 0.00 1.87 1.59 0.90 0.90 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 87 K 9.23 4.95 0.00 1.69 1.86 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 88 P 0.00 4.32 0.00 2.23 2.34 0.00 3.69 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 2.08 1.98 0.00 89 E 8.06 4.27 0.00 2.11 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 0.00 2.21 2.22 0.00 90 D 8.24 4.51 0.00 2.87 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 91 S 8.10 4.54 0.00 4.03 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 92 G 7.80 4.04 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 0.00 0.00 0.00 93 T 7.75 5.24 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 1.34 0.00 0.00 94 Y 9.56 5.32 0.00 3.12 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 95 N 9.50 5.51 0.00 2.78 2.75 0.00 0.00 6.29 7.46 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 96 F 8.37 4.40 0.00 1.51 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 0.00 0.00 0.00 0.00 97 R 7.56 4.79 0.00 1.71 1.46 0.00 3.17 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 98 F 8.34 5.09 0.00 2.74 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 0.00 0.00 0.00 99 E 9.10 4.79 0.00 1.85 1.82 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 2.10 2.12 0.00 100 I 9.03 3.88 2.08 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.88 0.00 0.00 *103 S 7.88 4.36 0.00 3.84 3.94 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 0.00 104 N 7.98 4.59 0.00 2.97 3.30 0.00 0.00 7.02 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 0.00 105 R 7.45 5.05 0.00 1.53 1.63 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 106 W 8.25 4.59 0.00 3.06 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 0.00 0.00 0.00 107 L 7.20 4.71 0.00 1.25 0.96 0.46 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.77 4.59 0.00 2.86 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 0.00 109 V 8.13 3.71 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 0.49 0.00 0.00 0.87 0.00 0.00 110 K 8.17 3.94 0.00 1.99 1.92 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.55 7.81 111 G 8.57 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 0.00 112 T 8.91 4.96 4.47 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 1.33 0.00 0.00 113 T 9.07 5.05 4.63 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 1.30 0.00 0.00 114 V 9.37 4.98 2.37 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 1.00 0.00 0.00 0.86 0.00 0.00 115 T 8.64 4.93 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 1.25 0.00 0.00 116 V 8.79 4.70 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 0.74 0.00 0.00 0.98 0.00 0.00 117 T 8.56 4.66 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 1.22 0.00 0.00 118 T 7.95 4.87 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 0.00 119 D 8.52 4.53 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.