NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3943 8.3044 118.1952 54.6980 32.3277 175.6714 2 L 3.6740 7.7253 120.3715 55.4652 42.8696 174.4686 3 N 4.4131 8.8846 119.9488 53.0968 40.9117 172.4142 4 R 4.7686 8.3073 122.4670 54.0703 34.7831 174.7724 5 V 4.2621 8.2690 121.8078 61.2115 34.6824 174.0194 6 F 5.1715 8.9945 127.0028 55.8070 40.4850 174.9803 7 L 4.7612 8.9914 125.6124 53.2912 45.8849 174.4705 8 E 5.0752 8.5298 125.2699 54.6802 32.6647 174.4152 9 G 4.1808 9.0444 112.3974 45.2932 0.0000 171.6055 10 E 4.7600 8.3903 121.2327 55.4419 30.8039 175.8910 11 I 3.9688 8.5489 128.8638 62.3251 37.1118 175.5967 12 E 4.4578 10.3638 128.5997 58.2943 29.8487 176.7872 13 S 4.8284 7.7083 111.4702 57.6005 67.0237 171.7097 14 S 5.3254 7.9639 113.3403 57.5415 65.7492 172.9024 15 C 4.9469 6.8483 114.2555 57.9433 31.5452 172.8380 16 W 5.0904 8.9335 119.7209 55.8416 30.5248 176.8708 17 S 3.9914 8.9412 119.0975 58.6895 63.3344 173.6030 18 V 3.2554 8.9342 117.4860 68.0646 31.1297 176.8005 19 K 4.0311 8.1027 116.5645 56.7795 32.1008 177.2919 20 K 4.2047 8.0193 118.2517 57.6862 31.1692 176.7512 21 T 4.3655 7.8878 105.6292 60.1188 68.5009 173.3164 22 G 3.9707 8.0011 106.8343 44.4009 0.0000 171.7740 23 F 4.4812 8.8358 126.5994 56.0510 41.3613 174.2492 24 L 4.9170 8.3872 127.0394 53.0505 43.6970 175.4598 25 V 4.5177 8.5687 125.1441 61.2461 33.4722 174.4075 26 T 4.8222 9.2567 126.0727 62.7589 70.1400 174.6221 27 I 4.9536 9.2728 128.5324 59.2643 40.2902 174.3696 28 K 4.9644 8.1397 118.7612 56.5213 35.4646 174.4143 29 Q 4.9109 8.9729 121.9222 54.5065 31.9982 174.1815 30 M 4.7045 8.6510 124.0482 53.7825 33.3167 175.7936 31 R 4.3461 8.3428 123.3500 54.6328 33.2506 174.1331 32 F 5.2862 7.9833 119.9070 55.4747 37.8420 175.9181 33 F 4.3940 8.4180 126.5612 54.9033 39.1061 175.7917 34 G 4.2215 9.2452 116.6748 44.1292 0.0000 171.9785 35 E 4.6405 9.2140 121.9620 56.3903 32.8292 176.5293 36 R 4.2679 7.9734 117.3734 56.8494 30.6253 176.6658 37 L 5.0766 8.2982 115.3655 54.5334 43.8180 176.5267 38 F 4.1920 8.6476 121.2360 59.2906 39.5181 174.6095 39 T 4.4858 7.4606 122.0302 60.9857 69.3760 172.7998 40 D 4.6829 8.5141 123.5855 52.3355 44.1318 175.0032 41 Y 4.9333 7.8609 118.9902 56.3420 40.4770 174.6644 42 Y 4.8719 8.7430 121.3168 56.0829 42.2650 174.7651 43 V 4.7535 8.6168 122.9935 61.3318 33.8245 174.1431 44 I 5.0512 8.7025 122.4773 59.6069 40.4569 174.1375 45 Y 5.7854 8.5686 120.4397 55.9640 41.9488 173.2334 46 A 4.7038 8.4684 119.7179 50.6947 22.8632 174.8138 47 N 5.2270 8.7437 116.5486 50.9610 41.8247 177.7004 48 G 3.8888 9.0368 109.8202 46.7070 0.0000 175.9135 49 Q 4.2195 9.0930 121.8056 58.8963 28.7980 178.4792 50 L 4.0510 8.0709 118.3677 57.8997 42.1562 178.6297 51 A 3.9131 7.8762 121.1396 55.2625 17.7354 179.2364 52 Y 4.1050 7.8479 114.3488 61.1950 37.8349 178.4133 53 E 4.1024 8.2416 119.2556 59.0275 29.6518 178.9185 54 L 3.9442 7.8918 120.5704 58.1664 42.0030 178.3994 55 E 3.3006 7.1358 117.5589 59.2762 29.5962 178.7783 56 K 4.1613 7.7338 117.2319 59.5209 32.1508 178.8653 57 H 4.3677 8.2231 118.4747 59.6638 29.5725 177.4529 58 T 4.2714 8.0703 116.7169 65.8121 68.3125 175.6452 59 K 4.5112 7.6345 117.5917 55.9699 32.4852 176.6629 60 K 4.1483 7.6800 118.2257 57.0637 34.4485 175.9069 61 Y 4.8473 8.0333 114.1994 56.0285 40.7189 175.9849 62 K 4.3177 8.6578 121.0127 57.9876 32.9042 176.6311 63 T 5.2737 7.7540 106.9887 59.9677 72.1858 173.1285 64 I 4.7372 8.7276 121.2435 59.6699 42.2447 173.3005 65 S 5.3488 8.7399 122.2831 56.5964 65.6062 172.6033 66 I 5.2102 9.4348 119.5037 59.4946 41.9700 173.1881 67 E 4.8672 8.6503 121.8083 54.9251 32.9058 174.4373 68 G 3.7556 8.7301 113.4856 45.6770 0.0000 171.0771 69 I 4.9628 8.0519 120.0311 59.2291 40.9420 175.2048 70 L 4.7275 8.5927 126.3224 54.8267 42.1694 176.6798 71 R 5.0254 9.5403 122.1287 54.7771 34.8680 174.1620 72 T 5.8354 8.7380 109.5637 59.7997 71.5951 172.9796 73 Y 4.7191 7.9526 116.2968 57.3613 42.2923 175.0184 *82 K 4.0677 7.7918 118.8559 56.3915 34.0189 174.6762 83 T 5.3813 8.4782 118.2141 62.2785 71.3710 173.4464 84 T 4.9083 9.2549 114.9739 60.4120 73.6366 172.3048 85 I 4.9482 8.3422 121.1837 59.4227 40.1535 175.1509 86 E 3.1699 9.1515 130.2916 54.8152 29.9608 176.0124 87 I 3.8776 7.7753 128.7002 62.0210 37.3833 176.1189 88 V 4.1619 8.5514 123.9245 63.7094 33.9947 175.7760 89 K 4.4437 7.5077 119.3834 54.5417 36.0479 174.9431 90 I 4.2819 7.8781 126.4787 59.3451 38.6692 175.4578 91 F 4.4821 8.2722 126.8138 56.7053 40.0076 175.5009 92 N 4.2811 8.9980 121.4847 53.3386 39.0728 173.5973 93 P 4.4760 0.0000 0.0000 63.8959 31.2804 176.5952 94 K 4.4464 7.6987 116.3697 56.4351 33.9230 175.8297 95 N 4.7357 7.6981 116.2916 51.6471 39.6374 174.7964 96 E 4.3050 8.4206 123.3248 55.5999 30.8292 175.3788 97 I 4.5551 7.6698 120.9324 59.7186 40.8134 176.6863 98 V 4.3217 7.6637 122.7033 61.2897 31.9144 172.9190 99 I 3.6422 7.3748 116.1623 60.0961 38.3402 175.6704 100 D 4.7339 8.1181 122.3803 53.0471 44.5690 172.0987 101 Y 4.7958 7.2490 116.9780 56.2546 40.5253 173.7440 102 K 4.4081 8.4621 118.5320 55.7968 34.8137 176.5372 103 E 3.7896 9.1802 126.3637 57.4963 29.8386 177.0065 104 I 3.6561 7.1387 123.8212 61.7745 37.9557 173.5122 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 M 8.30 4.39 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 2 L 7.73 3.67 0.00 1.68 1.63 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.88 4.41 0.00 2.65 2.65 0.00 0.00 6.96 7.65 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 4 R 8.31 4.77 0.00 1.79 1.44 0.00 3.46 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 5 V 8.27 4.26 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 0.89 0.00 0.00 0.88 0.00 0.00 6 F 8.99 5.17 0.00 2.94 2.97 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 7 L 8.99 4.76 0.00 1.59 1.34 0.35 0.10 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 8 E 8.53 5.08 0.00 1.96 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 2.18 2.40 0.00 9 G 9.04 4.18 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 0.00 0.00 0.00 10 E 8.39 4.76 0.00 2.14 1.87 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 2.36 2.46 0.00 11 I 8.55 3.97 1.94 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 1.30 0.74 0.96 0.00 0.00 12 E 10.36 4.46 0.00 2.04 2.03 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 2.45 2.68 0.00 13 S 7.71 4.83 0.00 3.80 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 14 S 7.96 5.33 0.00 3.14 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 6.85 4.95 0.00 3.01 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 16 W 8.93 5.09 0.00 3.27 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 17 S 8.94 3.99 0.00 3.90 3.84 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 V 8.93 3.26 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 1.01 0.00 0.00 0.93 0.00 0.00 19 K 8.10 4.03 0.00 1.81 1.82 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.43 7.81 20 K 8.02 4.20 0.00 1.82 1.84 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.48 0.62 7.81 21 T 7.89 4.37 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 1.25 0.00 0.00 22 G 8.00 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 23 F 8.84 4.48 0.00 1.51 2.40 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 24 L 8.39 4.92 0.00 1.35 1.39 0.89 0.67 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 25 V 8.57 4.52 2.00 0.00 0.00 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 0.68 0.00 0.00 26 T 9.26 4.82 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 1.33 0.00 0.00 27 I 9.27 4.95 2.03 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 0.96 2.01 1.05 0.00 0.00 28 K 8.14 4.96 0.00 1.41 1.85 0.00 1.35 0.00 0.00 2.13 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.61 1.42 7.81 29 Q 8.97 4.91 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 30 M 8.65 4.70 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 31 R 8.34 4.35 0.00 1.56 1.41 0.00 3.03 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 32 F 7.98 5.29 0.00 3.22 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 33 F 8.42 4.39 0.00 3.14 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 34 G 9.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.21 4.64 0.00 1.98 2.00 0.00 0.00 0.00 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 2.34 0.00 36 R 7.97 4.27 0.00 2.18 2.03 0.00 3.12 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 37 L 8.30 5.08 0.00 1.66 1.67 0.94 0.87 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 38 F 8.65 4.19 0.00 2.98 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 39 T 7.46 4.49 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 0.64 0.00 0.00 40 D 8.51 4.68 0.00 2.52 1.67 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 41 Y 7.86 4.93 0.00 2.70 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 42 Y 8.74 4.87 0.00 2.92 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 43 V 8.62 4.75 2.15 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 1.03 0.00 0.00 0.96 0.00 0.00 44 I 8.70 5.05 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.95 0.91 0.00 0.00 45 Y 8.57 5.79 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.47 4.70 1.14 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 47 N 8.74 5.23 0.00 2.67 2.81 0.00 0.00 6.94 7.65 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 48 G 9.04 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 49 Q 9.09 4.22 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.69 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 50 L 8.07 4.05 0.00 1.76 1.81 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.88 3.91 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 52 Y 7.85 4.11 0.00 3.37 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 53 E 8.24 4.10 0.00 2.22 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 2.45 2.43 0.00 54 L 7.89 3.94 0.00 1.91 1.90 0.91 0.99 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 55 E 7.14 3.30 0.00 1.16 1.71 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 2.21 2.07 0.00 56 K 7.73 4.16 0.00 2.04 1.87 0.00 1.78 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.72 7.81 57 H 8.22 4.37 0.00 3.34 3.57 0.00 5.79 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 58 T 8.07 4.27 4.67 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 1.39 0.00 0.00 59 K 7.63 4.51 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.69 7.81 60 K 7.68 4.15 0.00 1.25 0.74 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 1.42 7.81 61 Y 8.03 4.85 0.00 2.86 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 62 K 8.66 4.32 0.00 1.88 1.90 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.46 7.81 63 T 7.75 5.27 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 1.26 0.00 0.00 64 I 8.73 4.74 1.94 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 1.02 1.10 0.99 0.00 0.00 65 S 8.74 5.35 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 66 I 9.43 5.21 1.83 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 1.06 0.75 0.83 0.00 0.00 67 E 8.65 4.87 0.00 2.39 1.55 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 1.73 1.47 0.00 68 G 8.73 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 0.00 0.00 0.00 69 I 8.05 4.96 1.84 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 1.15 0.83 0.96 0.00 0.00 70 L 8.59 4.73 0.00 1.58 1.63 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.54 5.03 0.00 1.79 1.88 0.00 3.29 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 72 T 8.74 5.84 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 1.24 0.00 0.00 73 Y 7.95 4.72 0.00 3.08 3.01 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 *82 K 7.79 4.07 0.00 1.17 1.84 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.28 7.81 83 T 8.48 5.38 4.31 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 1.32 0.00 0.00 84 T 9.25 4.91 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 1.30 0.00 0.00 85 I 8.34 4.95 1.85 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 1.12 0.72 0.90 0.00 0.00 86 E 9.15 3.17 0.00 1.95 1.69 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 1.91 1.71 0.00 87 I 7.78 3.88 1.65 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.35 0.79 0.00 0.00 88 V 8.55 4.16 2.04 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 0.65 0.00 0.00 0.81 0.00 0.00 89 K 7.51 4.44 0.00 1.57 1.03 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.76 1.19 7.81 90 I 7.88 4.28 1.76 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 0.62 0.76 0.00 0.00 91 F 8.27 4.48 0.00 2.99 2.94 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 92 N 9.00 4.28 0.00 2.83 2.75 0.00 0.00 6.92 7.71 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 93 P 0.00 4.48 0.00 1.83 1.66 0.00 3.63 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 1.62 0.59 0.00 94 K 7.70 4.45 0.00 1.78 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.37 7.81 95 N 7.70 4.74 0.00 2.75 2.74 0.00 0.00 6.92 7.63 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 96 E 8.42 4.30 0.00 1.89 1.81 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 2.21 2.27 0.00 97 I 7.67 4.56 1.57 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.54 0.38 0.00 0.00 98 V 7.66 4.32 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 0.72 0.00 0.00 0.88 0.00 0.00 99 I 7.37 3.64 1.09 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.41 0.19 0.00 0.00 100 D 8.12 4.73 0.00 2.47 2.41 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 0.00 101 Y 7.25 4.80 0.00 3.08 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 0.00 102 K 8.46 4.41 0.00 1.75 1.68 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 103 E 9.18 3.79 0.00 2.06 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 0.00 2.41 2.52 0.00 104 I 7.14 3.66 1.90 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 1.18 0.58 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.