NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3524 0.0000 0.0000 62.4943 32.6550 175.4687 3 R 4.1177 8.3419 121.1945 55.1191 31.0167 174.8392 4 A 4.5756 7.9298 126.9394 49.3523 19.8653 175.1642 5 K 4.2295 8.0541 120.6848 56.4412 33.8207 178.4436 6 T 3.9648 8.5742 115.9658 66.5956 69.3188 175.9468 7 G 3.9041 7.5977 108.2096 47.0775 0.0000 175.5418 8 V 3.8415 8.7824 116.0872 64.2799 32.3014 179.3166 9 V 3.3297 7.2819 118.8304 65.4954 32.3179 177.8098 10 R 3.8298 7.9136 118.3587 59.1744 29.9716 177.9229 11 R 3.7935 7.8433 118.3829 59.4821 30.0234 178.3257 12 R 3.8993 7.9959 117.1177 59.5269 30.0886 178.7054 13 K 3.8971 8.0272 118.9127 59.8214 31.9917 178.5599 14 H 4.4124 8.2899 116.4664 58.6226 28.7562 177.5398 15 K 3.8359 8.6709 120.7808 59.5078 31.5871 178.7034 16 K 3.8112 8.2823 119.8646 59.9347 31.8000 178.6344 17 I 3.7150 7.1392 116.7311 64.3015 37.3589 177.9644 18 L 4.1039 8.0663 119.9827 57.7434 41.5088 179.2202 19 K 3.7426 8.0503 119.3117 59.8725 31.8955 178.5941 20 L 4.0990 7.4729 116.3084 56.6322 41.1662 178.2295 21 A 4.3580 8.1012 120.9352 50.7404 20.5006 176.4780 22 K 3.8663 7.1447 120.5491 58.9382 32.6776 178.8490 23 G 3.9496 8.6729 110.0848 45.6559 0.0000 173.6376 24 Y 4.7113 6.8838 116.3365 57.3547 38.8568 175.5383 25 W 4.2212 8.9870 132.7530 58.3730 32.5989 175.8139 26 G 3.7299 7.5741 113.4170 46.9433 0.0000 177.1727 27 L 4.1521 8.5381 124.1870 56.6609 41.9163 178.7118 28 R 4.0736 8.1078 117.9950 58.1440 30.0303 177.7290 29 S 5.0244 7.8193 109.5807 56.6731 63.8453 174.5152 30 K 4.3735 7.9815 119.5346 56.5205 34.4552 175.9297 31 S 4.6222 8.4417 117.0574 56.8064 63.8514 174.6449 *32 F 3.9903 8.9339 129.9258 62.3735 37.5958 174.2093 33 R 4.1054 7.8704 118.0891 58.9989 29.8479 179.3150 34 K 3.9012 8.3127 118.0671 59.2806 32.0796 178.9954 35 A 4.6662 8.6298 123.3489 54.8828 18.2203 179.1736 36 R 3.4669 8.6184 117.7262 59.6740 29.6021 178.1311 37 E 3.7614 7.8342 117.3238 60.0096 29.4583 180.0024 38 T 3.7065 7.8670 115.3883 66.6826 68.5972 176.5969 39 L 3.9811 8.1062 121.1607 57.9497 41.4446 179.7167 40 F 4.4707 8.0585 117.3911 60.6149 38.8996 177.3914 41 A 3.6716 7.6414 119.3400 55.1963 18.1920 179.4191 42 A 4.1166 8.1749 119.5270 55.2232 18.3686 180.1083 43 G 3.6118 8.5270 104.4834 48.3290 0.0000 175.8266 44 N 4.5138 7.8746 119.6021 55.6393 38.4201 177.1193 45 Y 4.3694 8.0200 118.2240 61.5505 38.0455 178.1321 46 A 4.0575 8.3480 121.3360 55.3664 18.1675 178.6005 47 Y 4.0980 8.3177 116.3176 61.0930 38.4703 178.9031 48 A 3.8743 8.6020 121.0650 54.7978 18.6494 178.8543 49 H 4.4820 8.5598 114.5782 58.0590 28.7890 177.8907 50 R 4.0372 8.0380 120.5817 58.8929 29.7344 178.9020 51 K 3.8850 7.3325 117.1827 58.8596 32.1902 179.1367 52 R 4.1550 7.5429 117.6695 58.7097 30.2404 178.5274 53 R 4.3361 7.8910 118.9998 58.9255 30.2756 178.3396 54 K 4.1443 7.6714 117.8811 59.3251 32.4180 178.9953 55 R 4.2758 7.7067 113.8252 57.4508 29.6871 177.9193 56 D 4.2634 8.3255 121.4548 57.4920 40.7497 178.3106 57 F 3.4236 7.6368 116.8201 59.6014 38.7695 177.9901 58 R 4.0495 7.5993 117.4315 59.4165 29.8463 178.7971 59 R 3.7396 7.3651 116.8363 59.2377 30.1418 178.0543 60 L 3.7802 7.1884 119.6307 58.8108 41.9572 178.2201 61 W 4.5485 9.0994 119.6391 59.0105 28.7196 179.0252 62 I 3.5062 8.6850 118.8000 64.2184 36.7718 177.7252 63 V 3.4594 7.9198 118.8520 66.7412 31.5043 178.2533 64 R 3.8994 7.9577 116.6739 60.3881 29.9075 178.2170 65 I 3.5687 8.1854 119.8009 62.8090 37.0661 177.5057 66 N 3.7773 9.0473 119.2808 57.4152 38.8142 176.6955 67 A 3.9989 8.0966 121.9673 54.7032 18.7553 179.0037 68 A 4.0652 8.1076 117.3746 55.4096 18.2030 179.1859 69 C 3.6728 8.8544 118.0687 63.0960 31.4516 176.4062 70 R 4.7078 7.8414 120.3308 58.9535 29.4394 178.6932 71 Q 4.0361 7.8497 116.8390 59.0083 28.9079 177.4809 72 H 4.7792 7.8217 114.7353 56.1811 29.1671 176.7707 73 G 4.0580 8.5534 109.2372 45.3149 0.0000 174.0012 74 L 4.9050 7.3876 118.6468 53.1506 43.9625 175.2372 75 N 5.0847 8.3400 116.9206 51.6875 40.2694 175.1462 76 Y 4.1615 8.6902 122.2668 62.0588 38.7639 178.1170 77 S 4.1693 8.7216 114.0670 63.0477 62.7776 176.7234 78 T 3.9021 8.6101 111.2996 65.0535 68.8083 176.1264 79 F 4.0069 8.3566 123.5775 61.2905 39.3072 177.2939 80 I 3.4955 7.9973 119.4341 64.4286 36.8743 177.8940 81 H 4.3319 8.0915 118.7004 59.4242 29.4844 176.6523 82 G 3.4375 8.1285 108.5818 46.9972 0.0000 175.2422 83 L 3.7514 7.6920 121.6135 56.8270 41.7999 179.8310 84 K 3.9430 7.7918 119.7150 59.4536 32.0237 179.0346 85 K 3.9073 7.9070 117.9940 59.3113 32.0169 178.9950 86 A 4.0779 7.9783 121.0516 53.0970 18.3505 178.7317 87 G 3.8936 7.8707 104.0346 45.5355 0.0000 173.1623 88 I 4.1317 6.9702 111.9313 60.9958 37.8727 177.0325 89 E 4.2054 7.9317 123.4463 57.2311 28.4079 175.7334 90 V 4.0538 8.1056 122.2732 62.2611 32.9415 179.6532 91 D 3.7997 9.5240 114.8857 55.6733 44.5242 170.1043 92 R 3.8427 8.3683 128.9874 55.7692 30.8104 177.3590 93 K 4.1977 8.5068 122.6601 59.4927 32.6704 177.9626 94 N 2.0000 7.4962 116.0679 55.7665 38.1337 175.4582 95 L 4.0528 7.8917 115.6418 55.2584 42.0799 177.0770 96 A 4.6604 7.3963 122.4504 51.6410 18.1658 178.4032 97 D 4.6532 7.5456 120.0066 54.2035 40.0395 177.4283 98 L 4.6246 7.6996 122.4106 57.7838 41.4806 178.6916 99 A 3.4332 7.5049 119.0619 54.8549 17.9843 178.8575 100 V 4.0188 7.0513 114.5379 62.8778 32.5999 176.4107 101 R 4.4972 7.7858 117.9601 55.5543 33.1267 175.2324 102 E 4.1973 9.1416 121.6914 57.6768 25.6518 174.6275 103 P 4.4201 0.0000 0.0000 66.1861 31.1952 177.2838 104 Q 4.3213 8.1785 117.2304 59.0330 28.6432 178.9034 105 V 3.6437 7.8762 118.4249 66.0629 31.5002 177.6287 106 F 4.3344 8.1653 119.5726 61.2612 39.2803 176.7232 107 A 3.9777 9.0389 121.6084 55.4349 18.2017 179.2600 108 E 3.9062 8.9597 118.6344 59.3864 29.5604 179.0111 109 L 4.0467 8.1104 119.2383 57.1920 41.5624 179.5942 110 V 3.6376 7.6936 118.5903 65.9939 31.5132 177.5918 111 E 3.8993 8.0535 118.2271 59.7581 29.2996 179.3904 112 R 3.8593 8.0193 117.4236 59.7175 30.0336 178.5827 113 A 3.8130 8.1173 120.7605 54.9791 18.2037 179.5649 114 K 4.0274 8.2988 116.3516 58.7047 32.9231 178.9877 115 A 4.0581 7.9514 122.8568 55.2965 18.3659 179.4049 116 A 3.9759 8.0255 117.3431 53.9941 18.4121 177.8727 117 Q 4.3985 7.4269 116.8344 55.5294 29.6366 175.5755 118 G 3.7404 8.0726 111.4824 45.9161 0.0000 173.7414 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 4.35 0.00 2.19 2.12 0.00 3.72 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 1.88 1.96 0.00 3 R 8.34 4.12 0.00 1.87 1.85 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 4 A 7.93 4.58 1.21 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 0.00 0.00 0.00 5 K 8.05 4.23 0.00 1.87 1.85 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 T 8.57 3.96 4.23 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 1.19 0.00 0.00 7 G 7.60 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 0.00 0.00 0.00 8 V 8.78 3.84 2.07 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 0.85 0.00 0.00 0.92 0.00 0.00 9 V 7.28 3.33 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 1.02 0.00 0.00 0.99 0.00 0.00 10 R 7.91 3.83 0.00 1.86 1.82 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.59 0.00 11 R 7.84 3.79 0.00 1.92 1.98 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 12 R 8.00 3.90 0.00 2.02 1.99 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 13 K 8.03 3.90 0.00 2.07 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 14 H 8.29 4.41 0.00 3.37 3.30 0.00 5.71 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 15 K 8.67 3.84 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.61 7.81 16 K 8.28 3.81 0.00 1.93 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 17 I 7.14 3.72 1.98 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 1.52 0.90 0.85 0.00 0.00 18 L 8.07 4.10 0.00 1.83 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.05 3.74 0.00 1.81 2.01 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 20 L 7.47 4.10 0.00 1.85 1.75 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.10 4.36 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 0.00 0.00 0.00 0.00 0.00 22 K 7.14 3.87 0.00 1.72 1.62 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.48 7.81 23 G 8.67 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 0.00 0.00 0.00 24 Y 6.88 4.71 0.00 3.24 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 25 W 8.99 4.22 0.00 3.53 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 26 G 7.57 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 0.00 0.00 0.00 27 L 8.54 4.15 0.00 1.76 1.74 0.93 0.88 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 28 R 8.11 4.07 0.00 2.31 2.03 0.00 3.14 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 29 S 7.82 5.02 0.00 3.94 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 0.00 30 K 7.98 4.37 0.00 1.72 1.84 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.28 7.81 31 S 8.44 4.62 0.00 3.79 3.82 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 *32 F 8.93 3.99 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.11 0.00 1.81 1.98 0.00 3.08 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 34 K 8.31 3.90 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.60 7.81 35 A 8.63 4.67 1.44 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 0.00 0.00 36 R 8.62 3.47 0.00 1.57 1.89 0.00 3.00 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.59 0.00 37 E 7.83 3.76 0.00 2.24 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 0.00 2.39 2.37 0.00 38 T 7.87 3.71 4.23 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 0.34 0.00 0.00 39 L 8.11 3.98 0.00 1.63 1.76 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.06 4.47 0.00 3.19 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 41 A 7.64 3.67 1.06 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 42 A 8.17 4.12 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 43 G 8.53 3.61 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 0.00 0.00 0.00 44 N 7.87 4.51 0.00 2.64 2.91 0.00 0.00 7.10 7.37 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 45 Y 8.02 4.37 0.00 3.19 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 46 A 8.35 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.10 0.00 3.15 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 48 A 8.60 3.87 1.51 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 49 H 8.56 4.48 0.00 3.38 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.04 4.04 0.00 1.76 1.92 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 51 K 7.33 3.89 0.00 1.87 1.79 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.13 1.27 7.81 52 R 7.54 4.15 0.00 1.83 1.90 0.00 3.20 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 53 R 7.89 4.34 0.00 1.96 2.18 0.00 3.30 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 54 K 7.67 4.14 0.00 2.12 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 55 R 7.71 4.28 0.00 2.00 2.15 0.00 2.95 0.00 0.00 3.51 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 56 D 8.33 4.26 0.00 2.77 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 57 F 7.64 3.42 0.00 2.23 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 58 R 7.60 4.05 0.00 1.82 2.07 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 59 R 7.37 3.74 0.00 1.84 1.92 0.00 2.97 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 60 L 7.19 3.78 0.00 1.27 1.36 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 W 9.10 4.55 0.00 3.72 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 62 I 8.68 3.51 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.15 0.00 0.00 63 V 7.92 3.46 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 1.08 0.00 0.00 0.87 0.00 0.00 64 R 7.96 3.90 0.00 2.09 1.97 0.00 3.32 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 65 I 8.19 3.57 2.27 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.96 0.00 0.00 66 N 9.05 3.78 0.00 2.84 2.98 0.00 0.00 7.29 9.07 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 67 A 8.10 4.00 1.35 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 0.00 0.00 68 A 8.11 4.07 1.28 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 0.00 0.00 0.00 69 C 8.85 3.67 0.00 2.94 3.05 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 70 R 7.84 4.71 0.00 2.27 1.98 0.00 3.53 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 71 Q 7.85 4.04 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.57 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 72 H 7.82 4.78 0.00 3.08 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.55 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 74 L 7.39 4.91 0.00 1.90 1.78 1.00 0.52 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 75 N 8.34 5.08 0.00 3.11 3.04 0.00 0.00 5.53 7.57 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 76 Y 8.69 4.16 0.00 3.16 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 77 S 8.72 4.17 0.00 4.13 3.93 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 78 T 8.61 3.90 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 79 F 8.36 4.01 0.00 3.07 3.25 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 80 I 8.00 3.50 1.83 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 0.66 0.25 0.85 0.00 0.00 81 H 8.09 4.33 0.00 3.21 3.47 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.13 3.44 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 0.00 0.00 0.00 83 L 7.69 3.75 0.00 1.51 1.59 -0.43 0.59 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 84 K 7.79 3.94 0.00 2.03 1.88 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 85 K 7.91 3.91 0.00 1.81 1.76 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.22 7.81 86 A 7.98 4.08 1.22 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 87 G 7.87 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 88 I 6.97 4.13 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.85 0.00 0.00 89 E 7.93 4.21 0.00 1.92 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 2.28 2.28 0.00 90 V 8.11 4.05 2.07 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 0.93 0.00 0.00 0.92 0.00 0.00 91 D 9.52 3.80 0.00 2.95 3.06 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 92 R 8.37 3.84 0.00 2.09 2.21 0.00 2.74 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.00 93 K 8.51 4.20 0.00 2.20 2.27 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.27 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.85 1.88 7.81 94 N 7.50 2.00 0.00 1.44 2.24 0.00 0.00 7.00 7.78 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 95 L 7.89 4.05 0.00 1.90 1.58 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.40 4.66 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.55 4.65 0.00 2.83 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 98 L 7.70 4.62 0.00 1.74 1.81 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.50 3.43 0.57 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 0.00 0.00 100 V 7.05 4.02 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 0.88 0.00 0.00 0.88 0.00 0.00 101 R 7.79 4.50 0.00 1.83 1.77 0.00 3.21 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 102 E 9.14 4.20 0.00 2.19 2.20 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 2.26 2.19 0.00 103 P 0.00 4.42 0.00 2.34 2.38 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 104 Q 8.18 4.32 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 105 V 7.88 3.64 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 1.15 0.00 0.00 0.97 0.00 0.00 106 F 8.17 4.33 0.00 3.14 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 0.00 107 A 9.04 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 3.91 0.00 2.20 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 0.00 2.30 2.50 0.00 109 L 8.11 4.05 0.00 1.98 1.76 1.07 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 0.00 110 V 7.69 3.64 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 1.15 0.00 0.00 0.59 0.00 0.00 111 E 8.05 3.90 0.00 2.12 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 2.47 2.48 0.00 112 R 8.02 3.86 0.00 2.00 1.92 0.00 3.24 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 113 A 8.12 3.81 1.11 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 0.00 114 K 8.30 4.03 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.43 7.81 115 A 7.95 4.06 1.35 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 0.00 0.00 116 A 8.03 3.98 1.28 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 0.00 0.00 0.00 117 Q 7.43 4.40 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 118 G 8.07 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.