NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.8436 8.1576 120.0843 55.9492 35.0705 174.4010 3 S 4.4099 7.0430 113.0485 57.1889 65.1463 172.7132 4 L 4.3669 9.1584 121.4826 57.7888 43.0764 178.4264 5 G 4.4761 8.6034 104.2872 45.1373 0.0000 171.8823 6 R 5.1868 9.1947 118.6012 54.4323 33.8177 174.7514 7 H 5.1785 9.0631 122.6953 54.5351 33.1729 171.7592 8 L 4.7303 8.8868 127.1646 53.4815 43.4087 175.9666 9 V 4.4251 8.8033 125.4308 61.3818 32.7616 174.0194 10 A 5.3341 9.1068 130.6652 50.0949 22.2623 174.3331 11 E 4.7462 9.5415 122.1232 54.7860 31.8386 174.9800 12 F 5.2017 8.7808 124.0537 55.9514 41.4366 174.5129 13 Y 5.2346 8.8909 121.3638 56.3801 41.4737 175.3909 14 E 3.6917 8.9526 118.3399 57.8455 26.9572 174.6162 15 C 4.6568 8.3641 115.6152 58.7737 29.5815 173.5862 16 D 4.4403 9.0195 121.3450 54.4109 40.5779 177.3505 17 R 4.0728 8.5649 126.7529 59.0348 30.4471 178.4726 18 E 4.1171 8.4192 118.9729 59.1000 29.4744 179.2304 19 V 3.5771 8.0158 117.8715 66.1375 31.4405 177.9484 20 L 4.1063 7.8671 117.1411 56.8955 41.3856 177.9914 21 D 5.0671 7.4827 115.3744 53.0711 41.7939 175.9320 22 N 4.7443 7.8475 118.0201 51.6654 39.6427 175.2075 23 V 3.5594 8.0468 129.2937 64.5771 31.6919 177.9359 24 Q 3.7901 7.9581 119.7613 58.8392 28.9321 177.8268 25 L 3.8941 8.1878 121.3674 57.9982 41.9039 178.8334 26 I 3.5627 7.6714 119.1480 64.2442 37.1291 177.5039 27 E 2.5400 7.3492 118.6077 58.7989 29.4914 178.2392 28 Q 4.0204 7.7263 119.2519 59.0990 28.9659 178.0370 29 E 4.3996 8.0827 118.6687 56.7613 29.9449 179.0950 *31 K 3.8605 8.0347 120.1994 56.4161 34.3133 178.0694 32 Q 3.6153 7.9554 119.1515 59.0214 28.7945 178.3035 33 A 3.8996 8.0686 121.6658 55.0165 18.1800 179.3768 34 A 3.8814 7.6418 117.5885 55.5557 18.7889 178.8422 35 Y 4.4530 7.5395 115.1453 61.5666 37.7694 178.9370 36 E 4.0891 8.3477 118.6280 59.3991 29.8037 179.3144 37 S 4.4987 8.2270 114.0515 59.6665 62.9723 175.9409 38 G 4.0346 8.0046 110.0042 45.0050 0.0000 173.4642 39 A 4.2521 7.4629 121.6989 52.0808 19.3509 177.1478 40 T 4.5460 8.1921 116.7277 62.3559 70.3527 174.2492 41 I 4.3057 8.4336 127.7221 61.4941 37.5804 175.6471 42 V 4.0557 8.8995 127.8263 64.9719 32.3606 175.5160 43 T 4.7137 7.4602 112.4895 61.1822 71.0620 171.5797 44 S 5.2086 8.4089 118.3018 56.9999 65.8239 172.9789 45 T 4.6913 8.7687 120.9222 60.7219 70.8096 172.2764 46 F 5.0266 8.7095 126.3996 55.9679 42.6175 174.0475 47 H 4.6625 9.2156 119.3642 53.8188 33.0447 172.3409 48 R 4.6476 8.4985 122.1508 53.3229 32.3011 175.2078 49 F 4.8378 8.2483 122.2568 57.0802 40.3507 174.6262 50 L 4.7061 8.1207 132.5267 55.0172 43.3066 176.1501 51 P 4.4598 0.0000 0.0000 63.5094 31.9630 174.2010 52 Y 4.7222 7.4127 118.0036 55.3367 40.3963 175.3520 53 G 3.9387 9.4829 106.9318 46.0089 0.0000 172.4884 54 V 4.5261 8.3692 122.4573 60.9153 34.6654 174.3278 55 S 5.1768 8.7616 123.0756 56.7562 66.2576 173.3682 56 G 3.8273 9.0017 110.7087 44.2405 0.0000 171.7272 57 V 4.6763 7.7824 122.1980 59.4420 34.8950 174.5976 58 V 4.5472 8.7003 125.1124 60.9292 33.3210 174.5882 59 V 4.1025 8.5590 130.0692 62.7985 32.5274 175.2702 60 I 4.9372 8.0972 121.3009 58.2495 40.5989 176.5166 61 S 4.2000 8.7348 117.7713 61.5420 62.4516 176.9946 62 E 4.7192 7.5345 115.2363 55.3686 30.4661 174.9510 63 S 4.1896 7.5469 114.7646 59.6512 67.5326 173.4360 64 H 5.2921 7.6857 112.9255 54.9527 32.3887 172.5097 65 L 5.3209 9.0114 120.2734 53.2823 44.4304 175.8138 66 T 5.0836 9.0587 113.3478 60.0530 72.8890 172.6531 67 I 4.9779 8.4193 122.1246 59.9099 42.0710 173.3703 68 H 5.3639 9.2093 125.5557 54.3043 32.1721 172.5379 69 T 5.0458 8.7892 114.1200 59.9297 71.4012 174.7279 70 W 4.9343 9.2905 122.9994 53.8668 29.6712 174.0107 71 P 4.2659 0.0000 0.0000 65.3158 31.2774 178.4990 72 E 3.8712 7.8449 114.1356 58.1096 29.0849 176.7238 73 Y 4.6031 8.3053 116.4439 57.0063 39.2830 176.6659 74 G 3.9583 8.2985 107.9619 46.2985 0.0000 172.1203 75 Y 5.5245 7.7450 116.9498 55.5250 41.6853 174.4199 76 A 4.8390 8.2086 125.9415 49.9701 23.2066 174.8173 77 A 4.6519 8.7864 124.2907 50.8020 20.4968 176.1652 78 I 4.8827 8.4574 123.3941 59.9770 40.5651 174.8067 79 D 5.3500 8.9891 125.4246 52.6085 44.6712 174.8680 80 L 4.7860 9.1844 123.0449 52.8242 44.2393 174.6679 81 F 5.4846 9.2317 127.4678 56.5943 41.2797 174.1473 82 T 4.7457 9.2611 116.5989 60.0793 72.2112 172.9312 83 C 5.2135 7.8507 118.3495 57.8575 32.0846 174.1027 84 G 4.2029 8.7412 109.7396 45.8262 0.0000 174.2747 85 E 4.1154 8.7024 121.3085 57.9857 29.9745 177.0970 86 D 4.9143 8.0640 116.8946 53.9453 41.3024 175.4498 87 V 4.4428 7.6748 119.4112 60.9828 33.3827 174.5293 88 D 4.9074 8.8173 127.1022 51.5333 42.0598 174.5663 89 P 4.3654 0.0000 0.0000 65.3406 31.3425 178.2163 90 W 4.2440 8.5907 118.8617 59.2912 28.8553 178.4322 91 K 4.2124 8.3497 118.6704 59.0300 31.4510 179.1870 92 A 4.0849 8.0413 120.8005 55.0595 18.3815 178.8987 93 F 4.1216 8.3462 119.3175 61.7300 39.4739 176.9717 94 E 3.8316 8.6531 118.5760 59.4990 29.3680 178.1673 95 H 4.0675 8.2583 118.2026 59.4250 29.8937 177.3057 96 L 3.9657 8.1406 120.8119 57.3809 41.4576 179.2044 97 K 3.5156 8.2174 120.1663 59.3373 31.7535 178.9952 98 K 3.8610 7.5624 116.8465 59.4959 32.1059 178.9573 99 A 4.0626 7.9053 119.8484 54.7406 18.6202 178.9041 100 L 4.2601 8.2909 115.8920 54.0001 42.1290 177.1168 101 K 3.9379 7.7788 116.6156 56.9469 30.0636 175.7551 102 A 4.2087 7.9587 120.7614 52.5717 18.8091 178.3993 103 K 4.4365 8.4689 121.5798 57.2142 33.3573 177.0241 104 R 4.8224 7.7488 119.8210 55.0902 33.5711 173.9677 105 V 5.1677 8.4977 117.4597 60.0654 36.3082 174.0212 106 H 5.0476 9.3222 122.5786 54.4994 32.9589 172.3696 107 V 4.8891 8.2472 124.4287 61.2258 34.5326 174.2078 108 V 4.2158 8.6195 127.9221 61.2539 33.5250 173.8614 109 E 4.9467 8.7039 128.9064 55.0747 30.7254 174.5669 110 H 4.7883 9.0426 125.2838 54.7771 31.1207 174.6890 111 E 4.7156 8.6384 121.4995 55.5295 30.2665 175.8075 112 R 4.1285 8.7667 125.2640 54.8626 31.9540 177.1645 113 G 4.1406 8.5378 112.0018 46.2288 0.0000 173.8941 114 R 4.2931 7.6152 117.2776 56.3937 31.4038 178.3614 115 Y 4.4648 8.9341 120.8286 61.2526 38.0288 178.3593 116 D 4.6125 8.1312 118.2164 55.7125 39.6771 177.5394 117 E 4.2889 7.9869 118.8983 58.4896 30.0694 177.8291 118 I 4.1184 7.7832 119.1202 61.8813 37.4366 176.7211 119 G 4.0612 8.4043 107.1290 45.6505 0.0000 172.7228 120 I 4.2905 7.7615 120.6311 58.2958 38.6702 174.4408 121 P 4.4243 0.0000 0.0000 63.0937 31.1382 176.1093 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 2 K 8.16 3.84 0.00 1.68 1.98 0.00 1.44 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.31 7.81 3 S 7.04 4.41 0.00 4.17 3.68 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 4 L 9.16 4.37 0.00 1.89 1.89 1.02 1.09 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 5 G 8.60 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.19 5.19 0.00 1.76 1.82 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 1.55 1.57 0.00 7 H 9.06 5.18 0.00 2.46 2.78 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.89 4.73 0.00 1.34 1.16 -0.67 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.80 4.43 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 0.96 0.00 0.00 0.81 0.00 0.00 10 A 9.11 5.33 1.31 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 0.00 0.00 0.00 11 E 9.54 4.75 0.00 1.72 1.52 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 2.36 2.53 0.00 12 F 8.78 5.20 0.00 2.79 2.81 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 0.00 0.00 0.00 13 Y 8.89 5.23 0.00 3.00 2.83 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 14 E 8.95 3.69 0.00 2.20 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 2.29 2.43 0.00 15 C 8.36 4.66 0.00 3.08 3.08 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 16 D 9.02 4.44 0.00 2.64 2.58 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 17 R 8.56 4.07 0.00 1.82 1.95 0.00 3.26 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 18 E 8.42 4.12 0.00 2.13 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 2.33 2.45 0.00 19 V 8.02 3.58 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 1.11 0.00 0.00 0.97 0.00 0.00 20 L 7.87 4.11 0.00 1.86 1.76 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.48 5.07 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.74 0.00 2.91 2.78 0.00 0.00 6.97 7.03 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 23 V 8.05 3.56 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 0.74 0.00 0.00 0.89 0.00 0.00 24 Q 7.96 3.79 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 25 L 8.19 3.89 0.00 1.76 1.58 0.91 0.78 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 26 I 7.67 3.56 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 0.97 0.00 0.00 27 E 7.35 2.54 0.00 1.16 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.48 0.00 28 Q 7.73 4.02 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 29 E 8.08 4.40 0.00 1.95 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 2.54 2.45 0.00 *31 K 8.03 3.86 0.00 1.78 1.49 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 32 Q 7.96 3.62 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 33 A 8.07 3.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 3.88 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 35 Y 7.54 4.45 0.00 3.08 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 36 E 8.35 4.09 0.00 2.11 2.08 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 2.56 2.48 0.00 37 S 8.23 4.50 0.00 4.25 4.16 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 38 G 8.00 4.03 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 0.00 0.00 0.00 39 A 7.46 4.25 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 40 T 8.19 4.55 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 1.23 0.00 0.00 41 I 8.43 4.31 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.97 0.00 0.00 42 V 8.90 4.06 2.19 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 0.70 0.00 0.00 0.95 0.00 0.00 43 T 7.46 4.71 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 1.19 0.00 0.00 44 S 8.41 5.21 0.00 3.99 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.77 4.69 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 1.13 0.00 0.00 46 F 8.71 5.03 0.00 2.79 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 47 H 9.22 4.66 0.00 2.43 2.57 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.50 4.65 0.00 1.65 1.69 0.00 3.07 0.00 0.00 2.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 49 F 8.25 4.84 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 50 L 8.12 4.71 0.00 1.63 0.88 0.78 1.05 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 P 0.00 4.46 0.00 2.05 2.05 0.00 3.64 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 2.04 2.09 0.00 52 Y 7.41 4.72 0.00 3.12 3.13 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 53 G 9.48 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 0.00 0.00 0.00 54 V 8.37 4.53 2.05 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 1.06 0.00 0.00 0.89 0.00 0.00 55 S 8.76 5.18 0.00 3.81 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 56 G 9.00 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 0.00 0.00 0.00 57 V 7.78 4.68 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 0.70 0.00 0.00 0.85 0.00 0.00 58 V 8.70 4.55 2.08 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 1.01 0.00 0.00 1.06 0.00 0.00 59 V 8.56 4.10 2.05 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 0.89 0.00 0.00 0.88 0.00 0.00 60 I 8.10 4.94 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.77 0.89 0.00 0.00 61 S 8.73 4.20 0.00 3.85 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 62 E 7.53 4.72 0.00 1.94 1.89 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 2.11 2.21 0.00 63 S 7.55 4.19 0.00 2.72 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 64 H 7.69 5.29 0.00 3.09 3.29 0.00 5.20 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.01 5.32 0.00 1.55 1.56 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.06 5.08 4.15 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 1.16 0.00 0.00 67 I 8.42 4.98 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.34 0.97 0.00 0.00 68 H 9.21 5.36 0.00 3.30 2.99 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.79 5.05 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 1.19 0.00 0.00 70 W 9.29 4.93 0.00 3.64 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 71 P 0.00 4.27 0.00 1.82 2.03 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 72 E 7.84 3.87 0.00 1.80 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 1.80 2.09 0.00 73 Y 8.31 4.60 0.00 3.36 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 74 G 8.30 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 0.00 0.00 0.00 75 Y 7.75 5.52 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.84 1.03 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 0.00 0.00 77 A 8.79 4.65 1.47 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 78 I 8.46 4.88 1.35 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.26 0.68 0.00 0.00 79 D 8.99 5.35 0.00 2.65 2.67 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 80 L 9.18 4.79 0.00 1.42 1.51 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.23 5.48 0.00 2.53 2.56 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 82 T 9.26 4.75 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 1.22 0.00 0.00 83 C 7.85 5.21 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 84 G 8.74 4.20 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 0.00 0.00 0.00 85 E 8.70 4.12 0.00 1.99 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 0.00 2.32 2.36 0.00 86 D 8.06 4.91 0.00 2.71 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 87 V 7.67 4.44 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 0.85 0.00 0.00 0.96 0.00 0.00 88 D 8.82 4.91 0.00 2.75 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 89 P 0.00 4.37 0.00 2.05 2.24 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 90 W 8.59 4.24 0.00 3.70 3.39 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 91 K 8.35 4.21 0.00 2.02 1.99 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.74 1.69 7.81 92 A 8.04 4.08 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 93 F 8.35 4.12 0.00 3.00 3.38 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 94 E 8.65 3.83 0.00 2.34 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 2.36 2.39 0.00 95 H 8.26 4.07 0.00 3.35 3.43 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.14 3.97 0.00 1.91 1.72 0.84 0.74 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 97 K 8.22 3.52 0.00 0.88 1.53 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.94 1.17 7.81 98 K 7.56 3.86 0.00 1.88 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 99 A 7.91 4.06 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 0.00 100 L 8.29 4.26 0.00 2.05 1.83 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.78 3.94 0.00 1.92 1.89 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.46 7.81 102 A 7.96 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.47 4.44 0.00 1.71 1.89 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.63 7.81 104 R 7.75 4.82 0.00 1.93 1.92 0.00 3.11 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 105 V 8.50 5.17 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 0.30 0.00 0.00 1.14 0.00 0.00 106 H 9.32 5.05 0.00 3.40 3.27 0.00 5.53 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.25 4.89 2.17 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 0.60 0.00 0.00 1.00 0.00 0.00 108 V 8.62 4.22 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 0.60 0.00 0.00 0.94 0.00 0.00 109 E 8.70 4.95 0.00 2.15 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 0.00 2.24 2.32 0.00 110 H 9.04 4.79 0.00 2.92 3.06 0.00 5.66 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 0.00 111 E 8.64 4.72 0.00 1.82 1.86 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 2.23 2.31 0.00 112 R 8.77 4.13 0.00 1.62 1.72 0.00 3.19 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 113 G 8.54 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 0.00 114 R 7.62 4.29 0.00 1.90 2.06 0.00 3.13 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 115 Y 8.93 4.46 0.00 2.91 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 0.00 116 D 8.13 4.61 0.00 2.86 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 0.00 117 E 7.99 4.29 0.00 2.15 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 2.29 2.34 0.00 118 I 7.78 4.12 1.95 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 1.50 0.71 0.93 0.00 0.00 119 G 8.40 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 0.00 120 I 7.76 4.29 1.62 0.00 0.00 0.64 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 0.59 0.42 0.00 0.00 121 P 0.00 4.42 0.00 2.16 2.02 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.