NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3006 8.3144 124.0450 55.1369 33.8788 174.2594 8 Q 4.0214 7.9873 125.0720 53.2093 30.6965 172.4444 9 Q 4.7710 7.5219 124.2932 55.5902 32.4768 172.7385 10 G 4.0681 7.6175 112.4498 45.5686 0.0000 171.5596 11 E 4.7873 8.7267 117.1172 56.2619 30.7501 176.1093 12 L 4.7243 8.9151 120.5729 53.4878 46.9511 174.8413 13 Y 5.1089 8.9956 119.0662 57.7046 39.7545 174.6890 14 M 5.1936 9.5774 122.2761 53.2880 36.0789 174.6309 15 W 4.2691 8.4538 133.0866 56.2827 31.4915 175.4519 16 D 4.3578 7.7180 128.8848 52.6052 40.9758 177.0431 17 S 3.7411 8.1783 120.4007 59.5161 62.7081 175.0675 18 I 3.9087 6.8000 122.0138 63.7171 37.6294 176.3847 19 D 4.3266 7.7381 119.7907 54.7525 41.2197 176.2741 20 Q 2.5200 7.1509 120.3713 56.7470 27.2013 173.8233 21 K 4.8339 6.2705 117.8177 53.4588 37.0287 177.9714 22 W 5.3925 8.9701 120.0707 57.0602 30.3802 176.1223 23 T 4.9542 9.2842 113.3763 60.0140 72.2232 172.9340 24 R 4.8780 8.6432 122.4068 55.9296 31.6691 175.1010 25 H 5.3575 9.4598 121.2457 53.8511 33.3520 172.3737 26 F 4.9108 9.0508 124.5941 57.8075 40.6376 174.3549 27 C 5.9091 8.6212 122.4312 57.2927 32.4978 172.7198 28 A 5.0810 8.1978 118.5884 50.8871 22.9226 175.3482 29 I 5.0437 8.4771 120.1927 59.5534 39.7031 175.3793 30 A 4.7670 8.5531 129.7526 51.4784 23.0251 175.2321 31 D 4.4666 8.5662 121.3268 55.8406 40.4713 174.6369 32 A 4.9186 8.8662 130.3017 53.1810 20.0202 175.8706 33 K 5.2078 8.6737 122.4939 54.7944 36.1668 177.4296 34 L 5.2568 9.0617 126.8465 52.7381 44.3340 175.1534 35 S 5.5835 9.2069 121.8238 56.6621 65.6871 173.1246 36 F 5.5657 8.6693 116.6963 55.4556 41.2059 174.8662 37 S 4.6159 8.7730 117.7243 57.4701 65.0719 173.1036 38 D 4.7000 8.3565 120.1797 53.4471 42.0598 175.5724 39 D 4.4673 8.7885 119.5140 54.7861 41.6163 177.0723 40 I 4.0526 8.5963 119.3585 62.1045 37.9991 176.8093 41 E 4.2623 8.9670 124.4798 59.2732 29.9136 178.7782 42 Q 4.3848 7.6962 120.7651 55.7619 27.2812 181.9307 43 T 3.7412 8.0454 121.7219 62.1159 67.9014 176.0212 *50 L 4.0559 7.3159 125.3064 53.7663 41.8692 178.8624 51 G 4.0859 9.1936 116.9426 45.7829 0.0000 170.3477 52 S 4.6520 8.3785 112.4614 56.5866 66.2031 173.3853 53 L 4.3442 8.3283 125.2092 54.9462 42.5978 176.9646 54 C 4.6620 7.6440 116.5812 59.2735 32.7900 175.4789 55 R 4.1626 7.8003 119.8642 58.7469 29.9798 179.9096 56 G 3.7994 6.8758 101.2220 46.2230 0.0000 172.8480 57 I 5.3415 8.3617 121.8488 59.4087 41.0226 174.4959 58 L 4.8734 9.2912 127.1648 53.0903 44.5754 175.3764 59 D 5.0367 8.8665 123.4182 52.9006 41.2526 176.6357 60 L 4.2861 8.9626 128.1060 57.7505 41.9757 179.8166 61 N 4.2479 8.3779 115.7685 56.0342 38.6631 175.8936 62 T 4.1222 8.3153 107.3167 62.1654 69.5704 173.5807 63 Y 5.0873 7.7866 119.5715 56.4169 41.1039 174.3885 64 N 5.1526 9.3673 116.6843 51.7751 43.3563 174.1464 65 V 4.9814 8.4457 114.1078 59.8337 33.5585 175.4087 66 V 4.7467 8.9171 125.3812 61.0505 34.5932 174.1960 67 K 5.0310 8.8779 126.2164 54.8887 34.6833 175.5653 68 A 4.5720 8.2299 127.2498 49.8378 20.0526 175.6907 69 P 4.1787 0.0000 0.0000 66.6573 31.5200 178.7126 70 Q 3.9930 7.9192 113.2344 57.0835 29.0430 177.0476 71 G 3.7189 9.5142 106.8100 45.4882 0.0000 172.2536 72 K 4.2018 8.3776 116.0617 56.8414 35.7702 175.9041 73 N 3.8491 9.6334 123.6333 55.2438 35.8785 175.3613 74 Q 3.6042 8.0407 110.3078 55.3469 26.6327 174.9837 75 K 4.3621 7.9076 118.4703 55.4794 33.8858 177.8683 76 S 3.7002 8.2233 119.7881 60.4240 63.1492 173.9034 77 F 4.9947 7.5605 118.5968 55.7748 41.4538 174.7578 78 V 5.1202 8.3711 116.3805 59.3856 36.3130 174.6744 79 F 5.3706 8.7092 117.3614 55.2554 41.7092 173.8972 80 I 4.9043 9.0737 120.1257 59.7358 41.2244 174.8925 81 L 5.1743 8.9251 127.6860 53.5635 42.0807 174.6756 82 E 5.0953 8.9733 123.1207 54.0590 31.8211 174.4634 83 P 4.8108 0.0000 0.0000 62.9163 32.6388 176.5782 84 K 4.3824 8.2702 121.4331 55.0328 32.1806 178.0989 85 Q 4.0304 7.9123 119.9965 57.3908 28.1362 182.9209 86 Q 3.8204 7.8229 112.2862 56.1326 27.9228 180.9691 87 G 4.1243 7.4281 108.2169 46.4599 0.0000 177.8426 88 D 4.4548 7.7540 123.8977 52.5768 44.2804 173.6647 89 P 5.1603 0.0000 0.0000 61.9360 34.2332 172.1607 90 P 4.7482 0.0000 0.0000 62.4169 32.4927 175.7563 91 V 4.0041 8.2093 123.3921 61.3021 33.5451 174.1710 92 E 4.7011 8.3311 127.1667 54.7495 31.8154 175.0874 93 F 5.2998 8.2258 123.2134 56.0401 42.1428 174.7507 94 A 5.0630 8.5450 121.1238 51.1304 22.7489 175.2850 95 T 5.0402 8.5765 109.4838 60.2519 72.0850 174.3521 96 D 4.6496 9.1611 120.9953 57.0528 41.3120 177.1478 97 K 4.5573 7.7681 118.5775 54.7232 33.8691 178.1529 98 V 2.5399 7.6540 122.7182 64.5160 30.9255 178.3759 99 E 3.9932 8.0177 117.6910 59.2893 29.2736 178.9269 100 E 3.9816 7.9844 119.3656 59.1645 29.5738 178.7653 101 L 4.0790 8.1243 119.8507 58.6397 41.9485 179.1011 102 F 3.9604 8.0708 116.9831 60.4657 38.5364 177.2455 103 E 3.9661 8.5088 118.6416 59.4496 29.3016 179.7112 104 W 3.9438 8.6350 118.7755 60.0758 29.1632 177.7697 105 F 3.4315 8.3220 120.2955 61.3895 38.5485 176.9461 106 Q 4.1333 8.7467 117.0301 59.4052 28.5442 179.9262 107 S 4.0922 7.4125 113.8695 62.0422 63.2427 176.8247 108 I 3.8029 7.5712 122.0787 64.3238 36.7497 178.5023 109 R 4.1041 7.8379 119.5421 58.8366 29.6547 177.7315 110 E 4.4780 8.2471 115.4010 57.0740 29.2778 176.9556 111 I 4.5777 7.8981 117.2855 62.0613 40.5522 176.4669 112 T 4.1151 7.9814 108.2921 62.2279 69.2296 174.7354 113 W 4.2880 8.0115 127.0239 56.9435 29.7776 175.0127 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 7 K 8.31 4.30 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 7.99 4.02 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 9 Q 7.52 4.77 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 10 G 7.62 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 11 E 8.73 4.79 0.00 2.04 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 0.00 2.27 2.24 0.00 12 L 8.92 4.72 0.00 1.39 1.42 -0.58 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 9.00 5.11 0.00 2.91 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 14 M 9.58 5.19 0.00 1.54 1.58 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.89 0.00 15 W 8.45 4.27 0.00 2.13 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 16 D 7.72 4.36 0.00 2.65 2.13 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 0.00 17 S 8.18 3.74 0.00 3.89 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 18 I 6.80 3.91 1.91 0.00 0.00 0.75 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 0.37 0.80 0.00 0.00 19 D 7.74 4.33 0.00 2.47 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 20 Q 7.15 2.52 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 21 K 6.27 4.83 0.00 1.38 1.59 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.03 7.81 22 W 8.97 5.39 0.00 3.21 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 23 T 9.28 4.95 4.36 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 1.34 0.00 0.00 24 R 8.64 4.88 0.00 1.83 1.87 0.00 3.17 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.72 0.00 25 H 9.46 5.36 0.00 3.17 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.05 4.91 0.00 3.26 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 27 C 8.62 5.91 0.00 2.60 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 28 A 8.20 5.08 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 29 I 8.48 5.04 1.85 0.00 0.00 1.00 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 1.00 0.93 0.00 0.00 30 A 8.55 4.77 1.25 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 31 D 8.57 4.47 0.00 2.83 1.77 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 32 A 8.87 4.92 1.26 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 0.00 0.00 33 K 8.67 5.21 0.00 1.39 1.63 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 9.06 5.26 0.00 1.73 1.60 0.57 1.07 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 35 S 9.21 5.58 0.00 3.96 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 36 F 8.67 5.57 0.00 3.28 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 37 S 8.77 4.62 0.00 4.21 4.12 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 38 D 8.36 4.70 0.00 2.62 2.66 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 0.00 0.00 0.00 0.00 39 D 8.79 4.47 0.00 2.69 2.61 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 40 I 8.60 4.05 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 1.11 0.00 0.00 41 E 8.97 4.26 0.00 2.33 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 0.00 2.33 2.29 0.00 42 Q 7.70 4.38 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 5.54 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 43 T 8.05 3.74 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 *50 L 7.32 4.06 0.00 1.68 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.19 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 0.00 0.00 0.00 52 S 8.38 4.65 0.00 3.83 3.76 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 53 L 8.33 4.34 0.00 1.61 1.62 0.76 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.64 4.66 0.00 2.90 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 55 R 7.80 4.16 0.00 1.65 1.83 0.00 3.36 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 56 G 6.88 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 57 I 8.36 5.34 1.91 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 1.38 0.69 0.98 0.00 0.00 58 L 9.29 4.87 0.00 1.75 1.66 0.85 0.82 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 59 D 8.87 5.04 0.00 2.80 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 60 L 8.96 4.29 0.00 1.88 1.76 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.38 4.25 0.00 2.93 2.88 0.00 0.00 6.98 6.91 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 62 T 8.32 4.12 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 1.18 0.00 0.00 63 Y 7.79 5.09 0.00 2.84 2.90 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 64 N 9.37 5.15 0.00 2.74 2.69 0.00 0.00 7.29 8.15 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 65 V 8.45 4.98 1.66 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 0.63 0.00 0.00 0.73 0.00 0.00 66 V 8.92 4.75 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 1.14 0.00 0.00 1.13 0.00 0.00 67 K 8.88 5.03 0.00 1.72 1.62 0.00 1.39 0.00 0.00 1.06 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.32 1.48 7.81 68 A 8.23 4.57 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 69 P 0.00 4.18 0.00 2.05 2.14 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 70 Q 7.92 3.99 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 71 G 9.51 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 0.00 0.00 0.00 72 K 8.38 4.20 0.00 1.75 1.57 0.00 1.64 0.00 0.00 1.30 0.00 0.00 3.06 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.08 1.26 7.81 73 N 9.63 3.85 0.00 2.30 2.10 0.00 0.00 6.89 7.69 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 74 Q 8.04 3.60 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.70 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 75 K 7.91 4.36 0.00 1.36 1.11 0.00 1.03 0.00 0.00 1.24 0.00 0.00 2.53 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.22 3.70 0.00 2.86 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 77 F 7.56 4.99 0.00 2.95 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 78 V 8.37 5.12 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 0.72 0.00 0.00 0.97 0.00 0.00 79 F 8.71 5.37 0.00 3.24 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 80 I 9.07 4.90 1.96 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 0.79 0.99 0.00 0.00 81 L 8.93 5.17 0.00 1.62 1.17 1.18 0.47 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 82 E 8.97 5.10 0.00 2.13 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 0.00 2.31 2.32 0.00 83 P 0.00 4.81 0.00 1.96 1.69 0.00 3.53 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 2.02 2.45 0.00 84 K 8.27 4.38 0.00 1.67 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.22 7.81 85 Q 7.91 4.03 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.14 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 86 Q 7.82 3.82 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 87 G 7.43 4.12 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 0.00 0.00 0.00 88 D 7.75 4.45 0.00 2.76 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 89 P 0.00 5.16 0.00 2.10 2.01 0.00 3.52 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 1.88 2.06 0.00 90 P 0.00 4.75 0.00 1.96 2.04 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 91 V 8.21 4.00 1.72 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 0.11 0.00 0.00 0.73 0.00 0.00 92 E 8.33 4.70 0.00 1.87 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 2.23 2.23 0.00 93 F 8.23 5.30 0.00 1.51 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 0.00 0.00 0.00 94 A 8.54 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.58 5.04 4.55 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 1.39 0.00 0.00 96 D 9.16 4.65 0.00 2.83 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 0.00 97 K 7.77 4.56 0.00 1.97 1.66 0.00 1.81 0.00 0.00 2.00 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.46 7.81 98 V 7.65 2.54 0.93 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 0.69 0.00 0.00 0.93 0.00 0.00 99 E 8.02 3.99 0.00 2.16 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 0.00 2.34 2.34 0.00 100 E 7.98 3.98 0.00 2.28 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 2.42 2.37 0.00 101 L 8.12 4.08 0.00 1.84 1.85 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.07 3.96 0.00 3.29 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 0.00 103 E 8.51 3.97 0.00 2.06 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 2.36 2.48 0.00 104 W 8.64 3.94 0.00 3.29 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 0.00 105 F 8.32 3.43 0.00 3.02 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 0.00 106 Q 8.75 4.13 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 107 S 7.41 4.09 0.00 3.91 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 0.00 108 I 7.57 3.80 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.84 0.00 0.00 109 R 7.84 4.10 0.00 1.64 2.04 0.00 3.50 0.00 0.00 3.49 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.88 0.00 110 E 8.25 4.48 0.00 2.05 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 2.34 2.38 0.00 111 I 7.90 4.58 2.04 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 1.37 0.79 0.93 0.00 0.00 112 T 7.98 4.12 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 1.32 0.00 0.00 113 W 8.01 4.29 0.00 3.66 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 * Residues marked with a * may have inaccurate shift predictions.