NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2597 0.0000 0.0000 62.4068 31.7184 175.2275 3 K 3.8061 8.5666 124.7168 53.9423 31.3445 174.4230 4 K 3.9512 8.5415 125.4809 56.8135 34.1319 175.1074 5 V 4.9173 8.1251 124.1739 61.5449 34.3310 174.1410 6 L 4.7144 8.4377 123.9896 53.5604 46.5783 174.5435 7 T 4.5007 7.9894 111.5976 60.1022 70.8598 173.4208 8 G 4.0766 8.3327 109.7643 45.0127 0.0000 173.3534 9 V 4.0266 8.2207 121.2659 63.0742 33.2299 174.7186 10 V 4.5390 8.1967 124.8371 61.3171 32.8727 176.2475 11 V 4.4717 8.4553 121.3792 60.0087 32.3649 175.8832 12 S 5.0319 7.6465 117.6331 58.9725 64.3944 177.3657 13 D 4.7811 8.1266 123.2529 52.3608 38.8346 176.6811 14 K 4.1392 7.9203 121.2154 59.5779 32.4423 177.5794 15 M 4.4418 7.6753 117.7775 53.8902 33.4735 175.4228 16 Q 4.2237 8.4535 119.8891 56.0167 29.3609 176.3779 17 K 4.1185 8.9234 123.7656 57.1320 29.2867 175.2980 18 T 4.8757 7.6004 111.2747 63.2904 72.9000 174.3627 19 V 4.6764 8.6849 116.2550 60.5388 36.8222 173.8516 20 T 4.5350 8.5038 122.4526 63.2351 69.9436 173.8428 21 V 4.6020 8.7378 126.2422 60.9241 34.2076 174.4455 22 L 4.5260 8.6049 131.9792 54.5277 42.2165 175.7433 23 V 4.3015 8.6810 127.8928 61.3129 33.4822 175.8218 24 E 4.6672 8.6670 127.5839 56.4543 31.6822 175.4839 25 R 4.7074 7.8946 118.5476 56.6200 33.1038 173.4393 26 Q 5.1808 8.8197 124.7700 54.1289 31.4377 174.5365 27 F 4.8019 7.5610 112.1107 55.6662 40.6624 171.1425 28 P 4.8856 0.0000 0.0000 62.5354 32.2296 175.8356 29 H 4.4916 10.2806 125.6122 55.1169 30.8214 174.6207 30 P 4.2720 0.0000 0.0000 63.2927 30.5675 175.7313 31 L 4.2486 7.6184 120.3931 56.1113 47.6309 174.7322 32 Y 4.9758 8.0802 114.3902 56.7792 38.5051 177.1317 33 G 3.6748 7.8666 107.7691 44.6740 0.0000 174.9090 34 K 4.7630 7.5302 124.2853 52.6024 31.1029 174.7574 35 V 4.0585 8.1428 126.0804 63.5503 32.4257 175.2435 36 I 4.5419 8.1747 118.8814 59.2194 40.7581 174.6630 37 K 4.4884 8.6220 125.5159 56.5775 33.2375 176.8753 38 R 4.3769 8.1234 120.5285 56.0357 32.8967 174.4667 39 S 5.0142 8.7958 121.7281 57.4683 65.3814 172.9714 40 K 4.6132 8.6755 120.0985 55.0539 35.9884 174.4217 41 K 5.0265 8.3081 123.3642 54.7555 34.6101 175.0572 42 Y 4.6432 8.8781 122.3084 56.2216 40.9252 175.4071 43 L 4.7399 8.8152 124.1762 53.9575 41.0098 176.2807 44 A 4.6177 9.0667 126.1592 51.8022 20.0383 176.5038 45 H 4.7914 9.1013 121.2553 55.3025 31.5757 175.0985 46 D 5.3448 7.3727 123.1824 53.5037 42.0604 175.2648 47 P 4.7953 0.0000 0.0000 62.4630 31.1082 178.0050 48 E 4.5579 8.5686 114.7667 56.1861 33.3489 174.9245 49 E 3.9928 7.7379 117.0894 57.0760 27.6938 176.0339 50 K 4.0140 8.2639 117.5152 58.3876 33.7397 176.4546 51 Y 4.5002 7.8573 117.6519 56.0870 38.6971 175.4457 52 K 4.4207 8.5204 124.4556 54.6646 34.5822 175.6067 53 L 4.0386 8.3402 121.6658 57.9120 41.9658 176.2431 54 G 3.8844 8.2236 112.6188 45.5572 0.0000 173.7157 55 D 4.8178 7.8974 120.6101 54.4912 42.4161 175.5013 56 V 4.6707 7.8576 114.7537 63.1751 32.7602 174.9610 57 V 4.5233 7.5311 118.4837 59.5781 35.3151 173.9849 58 E 5.0269 8.2279 118.9717 55.4043 33.0676 175.7520 59 I 4.7136 9.3301 123.3781 59.3613 40.4988 174.9325 60 I 4.6771 8.3081 122.9654 60.3166 41.0246 172.8769 61 E 3.6550 9.1717 130.5597 56.4046 29.9927 176.3093 62 S 4.6708 7.7784 120.3880 56.7800 67.8634 173.5361 63 R 3.9059 8.4258 120.9747 55.5470 30.2637 174.2982 64 P 4.1675 0.0000 0.0000 63.6021 31.6970 175.9382 65 I 4.2656 7.6645 122.9884 61.4955 38.9752 176.1128 66 S 4.6288 7.7350 112.0089 57.0914 64.3758 176.3447 67 K 3.5617 8.8624 122.2707 58.4614 32.5542 176.3658 68 R 3.7450 8.4401 124.8800 55.2966 27.8887 176.4227 69 K 5.1135 6.4790 122.6511 56.4389 33.9875 173.3961 70 R 4.9100 6.9488 125.3299 53.2687 30.4018 175.1459 71 F 5.1472 7.5897 115.4009 56.8862 43.8587 175.6084 72 R 4.8380 8.5390 122.6333 54.6558 33.1247 176.0449 73 V 3.8097 8.2168 121.4598 62.9622 31.0736 175.3871 74 L 4.1019 9.1226 132.3893 57.0094 41.8334 177.7302 75 R 4.9000 8.4277 111.9958 54.2204 34.6867 175.9638 76 L 4.8247 8.4739 121.2830 54.6806 43.5183 174.9612 77 V 4.4457 7.7504 117.1102 63.4331 35.2654 174.6200 78 E 4.7720 7.6897 114.3160 55.2012 32.6657 173.6344 79 S 4.5267 8.2706 111.9949 57.9398 65.3882 173.7727 80 G 4.0508 8.9211 113.0296 45.4250 0.0000 175.8872 81 R 4.3764 7.4962 118.6869 56.1294 29.0919 178.3498 82 M 4.1957 8.9552 115.4672 56.8330 31.7146 176.5453 83 D 4.6705 7.8243 121.2464 55.2390 40.3063 178.4844 84 L 4.0519 8.3006 120.8791 57.3726 41.5303 179.4637 85 V 3.7237 7.7526 118.0387 65.9848 31.5184 177.7594 86 E 3.6133 7.8435 118.2811 59.2698 28.7702 179.3822 87 K 4.0375 7.9167 118.1926 58.5763 31.9916 178.2499 88 Y 4.2825 7.6839 119.1950 59.7951 39.5013 177.2425 89 L 3.7733 8.6682 120.9252 57.6597 41.5257 179.6718 90 I 3.5859 7.9115 119.8010 64.4845 36.9602 178.2483 91 R 3.6601 7.1012 117.8570 59.4074 29.9440 177.9727 92 R 3.7037 7.3383 117.6753 58.9206 30.4682 178.0435 93 Q 4.1950 7.8089 116.6150 57.7768 28.2165 177.5907 94 N 4.5293 7.4987 117.5718 54.6917 38.6159 176.1298 95 Y 4.2741 7.8623 117.9127 59.6793 37.8518 177.1122 96 E 4.1499 7.7818 120.6659 59.2121 29.6918 178.2388 97 S 4.5178 7.3673 109.8339 59.2054 63.0168 174.1402 98 L 4.7120 7.4366 121.4911 54.8040 42.0733 176.4603 99 S 4.9249 7.7175 115.4279 57.5028 65.9188 173.6149 100 K 4.4514 8.1667 116.6124 56.5635 33.2334 176.7811 *101 R 4.1415 7.7205 120.7707 56.4881 30.0213 177.2976 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 P 0.00 4.26 0.00 2.19 2.17 0.00 3.77 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 1.89 2.00 0.00 3 K 8.57 3.81 0.00 1.86 1.89 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 K 8.54 3.95 0.00 1.94 1.83 0.00 1.45 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.44 7.81 5 V 8.13 4.92 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 0.90 0.00 0.00 0.96 0.00 0.00 6 L 8.44 4.71 0.00 1.14 1.17 0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.99 4.50 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 1.17 0.00 0.00 8 G 8.33 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 9 V 8.22 4.03 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 0.95 0.00 0.00 0.91 0.00 0.00 10 V 8.20 4.54 2.10 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 0.98 0.00 0.00 0.94 0.00 0.00 11 V 8.46 4.47 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 0.46 0.00 0.00 0.71 0.00 0.00 12 S 7.65 5.03 0.00 3.96 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 13 D 8.13 4.78 0.00 2.82 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 14 K 7.92 4.14 0.00 1.75 1.93 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.68 4.44 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 16 Q 8.45 4.22 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 17 K 8.92 4.12 0.00 1.91 1.83 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.44 7.81 18 T 7.60 4.88 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 1.30 0.00 0.00 19 V 8.68 4.68 2.10 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 0.71 0.00 0.00 1.00 0.00 0.00 20 T 8.50 4.54 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 1.19 0.00 0.00 21 V 8.74 4.60 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 1.02 0.00 0.00 0.93 0.00 0.00 22 L 8.60 4.53 0.00 1.31 1.41 0.83 0.57 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 23 V 8.68 4.30 2.30 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 0.93 0.00 0.00 0.97 0.00 0.00 24 E 8.67 4.67 0.00 1.90 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 0.00 2.31 2.30 0.00 25 R 7.89 4.71 0.00 1.95 2.07 0.00 3.21 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 26 Q 8.82 5.18 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 27 F 7.56 4.80 0.00 3.08 3.16 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 28 P 0.00 4.89 0.00 2.06 2.09 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 29 H 10.28 4.49 0.00 3.29 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.27 0.00 2.13 2.07 0.00 3.61 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 1.73 1.86 0.00 31 L 7.62 4.25 0.00 1.29 1.00 0.80 0.42 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 32 Y 8.08 4.98 0.00 2.82 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 33 G 7.87 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 34 K 7.53 4.76 0.00 1.80 2.08 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 35 V 8.14 4.06 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 0.87 0.00 0.00 0.93 0.00 0.00 36 I 8.17 4.54 1.68 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.89 0.00 0.00 37 K 8.62 4.49 0.00 1.64 1.76 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.40 7.81 38 R 8.12 4.38 0.00 1.73 1.91 0.00 3.42 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 39 S 8.80 5.01 0.00 3.97 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 40 K 8.68 4.61 0.00 1.78 1.55 0.00 1.47 0.00 0.00 1.32 0.00 0.00 2.26 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.20 7.81 41 K 8.31 5.03 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.14 1.34 7.81 42 Y 8.88 4.64 0.00 2.81 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 43 L 8.82 4.74 0.00 1.62 1.71 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.07 4.62 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 45 H 9.10 4.79 0.00 3.13 3.30 0.00 6.05 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 46 D 7.37 5.34 0.00 2.90 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 47 P 0.00 4.80 0.00 2.25 2.20 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 48 E 8.57 4.56 0.00 1.88 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 0.00 2.24 2.29 0.00 49 E 7.74 3.99 0.00 2.08 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 0.00 2.28 2.38 0.00 50 K 8.26 4.01 0.00 1.44 1.76 0.00 1.26 0.00 0.00 1.94 0.00 0.00 3.19 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.17 7.81 51 Y 7.86 4.50 0.00 3.13 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 52 K 8.52 4.42 0.00 1.94 1.94 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.52 7.81 53 L 8.34 4.04 0.00 1.87 1.69 1.00 1.12 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 54 G 8.22 3.88 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 0.00 0.00 0.00 55 D 7.90 4.82 0.00 2.79 2.73 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 56 V 7.86 4.67 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 0.91 0.00 0.00 0.93 0.00 0.00 57 V 7.53 4.52 1.80 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 0.35 0.00 0.00 0.63 0.00 0.00 58 E 8.23 5.03 0.00 1.84 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 2.14 2.32 0.00 59 I 9.33 4.71 1.41 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.29 0.22 0.00 0.00 60 I 8.31 4.68 1.88 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 1.28 1.29 0.99 0.00 0.00 61 E 9.17 3.65 0.00 2.19 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 2.25 2.18 0.00 62 S 7.78 4.67 0.00 3.70 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 63 R 8.43 3.91 0.00 1.73 1.79 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 P 0.00 4.17 0.00 2.03 1.97 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 65 I 7.66 4.27 1.96 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 1.23 0.67 0.86 0.00 0.00 66 S 7.73 4.63 0.00 3.95 3.81 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 67 K 8.86 3.56 0.00 1.73 1.81 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 68 R 8.44 3.75 0.00 1.95 1.91 0.00 3.39 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 69 K 6.48 5.11 0.00 1.87 1.86 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.61 7.81 70 R 6.95 4.91 0.00 1.46 1.35 0.00 3.21 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 71 F 7.59 5.15 0.00 2.98 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 72 R 8.54 4.84 0.00 1.78 1.88 0.00 3.15 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 73 V 8.22 3.81 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 -0.32 0.00 0.00 0.85 0.00 0.00 74 L 9.12 4.10 0.00 1.72 1.43 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.43 4.90 0.00 1.92 2.02 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 76 L 8.47 4.82 0.00 1.93 1.77 1.12 0.90 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 77 V 7.75 4.45 2.33 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 0.84 0.00 0.00 0.93 0.00 0.00 78 E 7.69 4.77 0.00 2.06 1.88 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 2.17 2.30 0.00 79 S 8.27 4.53 0.00 3.82 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 80 G 8.92 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 0.00 0.00 0.00 0.00 81 R 7.50 4.38 0.00 2.00 1.96 0.00 3.51 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 82 M 8.96 4.20 0.00 1.88 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 83 D 7.82 4.67 0.00 2.87 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 84 L 8.30 4.05 0.00 1.77 1.76 0.92 0.76 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 85 V 7.75 3.72 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 1.18 0.00 0.00 0.97 0.00 0.00 86 E 7.84 3.61 0.00 2.10 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 2.55 2.51 0.00 87 K 7.92 4.04 0.00 2.06 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.60 7.81 88 Y 7.68 4.28 0.00 2.99 3.18 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 89 L 8.67 3.77 0.00 1.63 1.65 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.91 3.59 1.91 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 1.62 0.92 0.89 0.00 0.00 91 R 7.10 3.66 0.00 1.90 2.03 0.00 3.28 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 92 R 7.34 3.70 0.00 1.58 1.88 0.00 3.00 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 93 Q 7.81 4.20 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 94 N 7.50 4.53 0.00 2.58 2.66 0.00 0.00 6.90 7.35 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 95 Y 7.86 4.27 0.00 3.01 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 96 E 7.78 4.15 0.00 2.21 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 0.00 2.31 2.36 0.00 97 S 7.37 4.52 0.00 3.88 3.95 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 98 L 7.44 4.71 0.00 1.75 1.75 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.72 4.92 0.00 3.97 3.91 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 0.00 100 K 8.17 4.45 0.00 1.72 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.44 7.81 *101 R 7.72 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.