NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2771 8.2993 121.7900 55.9071 33.2698 175.4826 2 E 3.9847 8.6120 124.7134 54.3573 30.4362 175.7647 3 T 4.2266 8.6134 113.6484 61.1952 72.1681 176.6949 4 A 3.9886 8.4985 122.5570 55.2975 18.4791 179.7890 5 A 3.9941 7.9976 118.6721 55.2264 18.5636 179.5917 6 A 4.0459 7.9720 119.1870 55.0623 18.3584 179.8122 7 K 4.0776 8.4557 118.6061 59.4605 32.2092 178.9200 8 F 4.1216 8.3529 121.1087 61.3091 39.3823 176.9487 9 E 4.0116 8.3046 117.8512 59.3897 29.0508 179.3876 10 R 3.8761 7.8324 117.4639 59.6998 30.3113 178.3699 11 Q 3.9906 8.1182 116.5834 58.1150 28.9871 176.3147 12 H 4.6800 8.1507 114.0156 53.7485 31.4715 173.0321 13 M 4.6823 7.9276 118.7013 53.6814 33.3907 176.8941 14 D 4.7718 8.5547 121.6708 53.9424 42.0396 175.8775 15 S 4.2214 8.2654 117.8730 61.0185 63.4001 176.0809 16 S 4.2426 7.7024 114.6249 60.5617 63.4736 175.0549 17 T 4.3247 7.5357 118.2689 61.6001 70.5028 175.0406 *21 S 4.2727 8.0376 116.5595 58.3229 63.6010 173.5829 22 S 4.3880 8.4169 119.7376 59.1409 63.3823 175.0218 23 S 4.4426 8.5048 113.5549 59.4924 63.1634 174.0797 24 N 4.7171 7.9016 119.7569 53.9744 39.8412 175.4562 25 Y 4.0224 7.8032 118.7463 62.0988 38.6180 177.6160 26 C 4.2933 8.5821 116.8522 60.0348 38.5759 175.9014 27 N 4.4120 8.2193 117.6062 56.4021 38.1246 177.3586 28 Q 3.9285 7.9676 119.2413 59.1367 28.9748 178.4545 29 M 3.8663 7.7658 121.2588 58.0924 31.7770 178.6931 30 M 3.9980 7.9763 118.9055 58.0865 31.9841 178.8250 31 K 4.0562 7.7119 120.4437 58.6849 32.4471 179.1394 32 S 4.1844 8.1747 114.4166 60.8241 62.5775 175.5146 33 R 4.4415 7.7520 119.5138 54.8831 30.2858 175.7031 34 N 4.2063 7.8917 114.9514 54.6527 36.1285 174.8088 35 L 4.5529 8.2129 116.4173 55.0883 42.1922 177.9360 36 T 5.5707 7.4598 108.0460 60.2673 69.4908 176.1188 37 K 4.0356 8.5184 123.3932 60.1603 32.3238 177.3116 38 D 4.8559 7.5993 114.4810 53.2887 41.9958 176.0272 39 R 3.7982 7.0617 118.2070 55.8735 32.4496 173.8691 40 C 4.9497 8.7960 121.0138 55.7739 40.0807 173.7062 41 K 4.1677 8.3617 126.6369 55.8240 32.3666 174.3136 42 P 4.5747 0.0000 0.0000 65.4918 31.6726 176.3158 43 V 5.1767 7.5166 109.1403 60.2700 36.0399 173.5732 44 N 4.6993 8.6355 119.2640 53.1704 42.5491 173.2151 45 T 4.8421 7.6856 118.5198 61.6276 72.6751 172.7254 46 F 4.8513 9.0189 124.5380 55.6185 42.2564 174.5479 47 V 4.3726 9.0348 123.1684 61.0218 33.2016 175.9444 48 H 5.5830 8.6014 128.8003 54.1453 26.2885 173.3815 49 E 4.8166 7.6795 117.3053 53.3468 34.5760 176.7618 50 S 4.3844 8.3286 114.8940 58.2442 65.0337 174.9656 51 L 4.0221 8.5234 124.1225 58.2843 41.8818 179.1512 52 A 4.0138 7.9793 120.2934 55.3345 18.1774 179.2007 53 D 4.3410 7.8136 115.9397 57.4353 41.1935 178.9561 54 V 3.7929 7.8019 118.4292 66.1532 31.6461 178.1479 55 Q 3.9287 8.5692 118.0008 58.8233 28.5252 178.5931 56 A 4.0895 8.1501 121.3758 54.4634 18.2736 179.6428 57 V 3.5458 7.7240 117.0437 65.8701 31.3192 176.9678 58 C 3.7763 7.7154 114.6542 58.0506 39.9167 174.1466 59 S 4.6376 7.4652 113.8432 57.9399 63.9268 174.8104 60 Q 4.4530 7.4918 123.6275 55.9307 27.2472 177.3976 61 K 4.1635 7.7126 130.4412 57.1429 32.9337 175.6233 62 N 4.4581 8.7841 127.6401 53.5758 39.1406 174.3244 63 V 4.5906 8.4586 118.4590 59.1627 36.8754 174.6928 64 A 4.1963 8.3587 124.9145 52.1403 19.0319 178.5978 65 C 4.6968 8.7498 120.0736 56.1965 41.0878 175.2672 66 K 3.7068 9.0163 122.2763 59.4386 31.6497 178.0729 67 N 4.5300 8.0346 113.4457 52.9959 37.7365 175.7430 68 G 3.9461 8.1615 108.4711 45.5084 0.0000 174.0744 69 Q 4.2364 8.5407 119.4064 56.2049 29.2739 176.5305 70 T 4.5311 8.2244 107.4992 61.6647 69.4896 173.7485 71 N 4.9268 7.8588 119.7100 54.0897 38.5542 175.0013 72 C 5.3649 7.4004 115.9641 56.6770 44.5612 172.8857 73 Y 5.1851 9.0268 119.0191 56.3591 41.9787 173.9434 74 Q 5.1198 9.1860 125.3801 54.2005 31.4127 174.8270 75 S 4.4356 8.6220 121.4484 58.4716 63.2864 174.3396 76 Y 4.4795 8.9183 120.9955 60.3820 37.9789 176.2510 77 S 5.1120 7.8024 114.0178 56.4520 65.8089 174.4875 78 T 4.1185 8.3001 112.0312 62.1023 69.8688 173.5154 79 M 5.0214 9.1658 122.0448 53.4057 36.7867 174.7314 80 S 4.8335 9.4114 117.8079 58.2895 63.6642 173.0911 81 I 5.1389 8.8822 119.9944 59.5162 41.8882 174.2506 82 T 4.9338 8.8719 118.6587 61.9307 72.0915 172.6571 83 D 5.1143 9.3679 127.2711 53.2221 43.3543 174.2351 84 C 5.6017 9.3812 123.4539 55.2164 40.1753 172.8166 85 R 5.1943 8.7482 123.6949 54.0654 32.7466 174.0977 86 E 4.1591 9.0415 128.4620 56.6810 30.2833 176.8824 87 T 4.2020 8.3868 117.9267 61.1041 70.6039 175.0526 88 G 3.6803 8.7019 109.5196 48.8484 0.0000 175.8524 89 S 4.4538 7.8221 112.8520 58.0214 62.6940 175.3024 90 S 3.7608 7.2096 116.1231 56.5227 61.9598 171.0392 91 K 3.7101 8.3023 126.3871 55.7808 31.5119 174.7274 92 Y 4.1681 8.6048 124.6980 57.2834 39.1324 174.3326 93 P 3.1611 0.0000 0.0000 63.3771 32.1101 176.9002 94 N 4.5657 7.1653 117.7071 52.0951 36.8664 172.6046 95 C 4.2684 8.0958 116.3792 56.6133 40.6854 172.9684 96 A 5.0017 8.7592 127.6225 50.4884 20.6798 175.1819 97 Y 5.1317 9.4672 119.7357 55.9775 42.2595 175.0053 98 K 4.5478 9.1633 123.8906 55.3037 34.0831 175.1591 99 T 4.9435 8.5999 124.6865 63.1216 69.9615 174.5206 100 T 4.5433 8.7772 122.4715 61.8505 72.1023 173.1932 101 Q 4.7134 8.7696 127.7664 55.9424 30.4375 174.3092 102 A 4.4805 8.2771 124.1347 51.5386 23.6413 175.1556 103 N 5.3983 8.8141 116.1188 51.7113 40.8409 174.1769 104 K 4.7857 8.7016 122.1345 54.6573 37.5696 175.7481 105 H 4.8309 9.1100 118.9577 55.8576 29.9719 174.8973 106 I 4.8956 8.5703 114.8967 59.2666 40.8846 174.3538 107 I 4.8963 8.2543 124.0970 59.7131 40.3240 175.0795 108 V 4.7453 8.6104 119.1102 59.3922 36.2533 174.3782 109 A 5.0755 8.8039 125.1426 51.0963 20.6632 175.7577 110 C 5.2220 8.4975 118.6601 55.2750 38.2828 172.9633 111 E 4.6916 8.5196 117.7065 56.9676 32.9338 175.6990 112 G 4.1213 9.2099 107.5684 44.8711 0.0000 171.6862 113 N 5.0256 8.2135 116.0100 50.6786 40.4996 172.2295 114 P 4.3404 0.0000 0.0000 62.6036 32.0167 175.7585 115 Y 4.7031 8.3377 121.3513 57.4532 38.8270 174.7758 116 V 4.4462 8.0555 119.2840 58.3588 36.6716 173.5206 117 P 4.4238 0.0000 0.0000 62.9857 31.0702 176.9079 118 V 4.4930 8.6680 115.5965 61.1197 33.9291 175.2373 119 H 5.0537 7.8906 119.8588 54.8239 33.5257 171.7948 120 F 4.6799 8.7321 127.9969 57.1807 39.2299 174.5864 121 D 4.4444 8.4686 127.5175 56.4990 41.8802 175.6981 122 A 4.5025 6.3468 117.6383 51.5386 22.5494 174.9592 123 S 5.0678 8.8093 113.1818 56.7702 65.7002 174.7280 124 V 4.1290 8.7067 117.1832 61.3138 32.0923 175.5855 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 K 8.30 4.28 0.00 1.72 1.80 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 2 E 8.61 3.98 0.00 2.22 1.95 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 2.29 2.38 0.00 3 T 8.61 4.23 4.26 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 1.23 0.00 0.00 4 A 8.50 3.99 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 5 A 8.00 3.99 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.97 4.05 1.39 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 0.00 0.00 7 K 8.46 4.08 0.00 1.96 2.05 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 8 F 8.35 4.12 0.00 3.20 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 9 E 8.30 4.01 0.00 2.32 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 2.52 2.71 0.00 10 R 7.83 3.88 0.00 1.82 2.09 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 11 Q 8.12 3.99 0.00 1.66 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 12 H 8.15 4.68 0.00 1.90 2.64 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.93 4.68 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 14 D 8.55 4.77 0.00 2.74 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 15 S 8.27 4.22 0.00 3.93 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 16 S 7.70 4.24 0.00 3.98 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 17 T 7.54 4.32 4.63 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 1.37 0.00 0.00 *21 S 8.04 4.27 0.00 3.82 3.79 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 22 S 8.42 4.39 0.00 4.02 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 0.00 23 S 8.50 4.44 0.00 4.03 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 0.00 24 N 7.90 4.72 0.00 2.71 2.84 0.00 0.00 6.71 7.42 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 25 Y 7.80 4.02 0.00 3.20 3.02 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 0.00 0.00 0.00 26 C 8.58 4.29 0.00 3.18 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 27 N 8.22 4.41 0.00 2.96 2.92 0.00 0.00 7.17 7.74 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 28 Q 7.97 3.93 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 29 M 7.77 3.87 0.00 0.87 1.28 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.00 30 M 7.98 4.00 0.00 1.68 1.88 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 31 K 7.71 4.06 0.00 1.87 1.89 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.30 7.81 32 S 8.17 4.18 0.00 4.00 4.02 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 0.00 0.00 0.00 33 R 7.75 4.44 0.00 1.93 2.11 0.00 3.62 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 34 N 7.89 4.21 0.00 2.88 2.91 0.00 0.00 6.84 7.24 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 35 L 8.21 4.55 0.00 1.79 1.64 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.46 5.57 4.41 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 1.43 0.00 0.00 37 K 8.52 4.04 0.00 1.78 1.92 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.50 7.81 38 D 7.60 4.86 0.00 2.66 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 39 R 7.06 3.80 0.00 1.61 1.64 0.00 3.12 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 40 C 8.80 4.95 0.00 3.10 3.12 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 41 K 8.36 4.17 0.00 1.93 1.79 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.43 7.81 42 P 0.00 4.57 0.00 2.15 2.15 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 43 V 7.52 5.18 2.11 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 0.73 0.00 0.00 0.96 0.00 0.00 44 N 8.64 4.70 0.00 2.62 2.28 0.00 0.00 7.22 7.20 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 45 T 7.69 4.84 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 0.81 0.00 0.00 46 F 9.02 4.85 0.00 2.95 2.84 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 47 V 9.03 4.37 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 1.05 0.00 0.00 1.03 0.00 0.00 48 H 8.60 5.58 0.00 3.10 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.82 0.00 1.95 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 2.25 2.26 0.00 50 S 8.33 4.38 0.00 4.07 4.02 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 0.00 0.00 0.00 51 L 8.52 4.02 0.00 1.83 1.74 1.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.98 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.34 0.00 2.88 2.78 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 54 V 7.80 3.79 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 1.25 0.00 0.00 1.11 0.00 0.00 55 Q 8.57 3.93 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 56 A 8.15 4.09 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 57 V 7.72 3.55 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 1.09 0.00 0.00 1.01 0.00 0.00 58 C 7.72 3.78 0.00 2.86 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 59 S 7.47 4.64 0.00 3.95 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 60 Q 7.49 4.45 0.00 1.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 61 K 7.71 4.16 0.00 1.64 1.69 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 62 N 8.78 4.46 0.00 2.81 2.67 0.00 0.00 7.00 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 63 V 8.46 4.59 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 0.71 0.00 0.00 0.80 0.00 0.00 64 A 8.36 4.20 1.19 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 0.00 0.00 65 C 8.75 4.70 0.00 3.15 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 66 K 9.02 3.71 0.00 1.73 1.88 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 67 N 8.03 4.53 0.00 2.79 2.91 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.16 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 69 Q 8.54 4.24 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 70 T 8.22 4.53 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 1.18 0.00 0.00 71 N 7.86 4.93 0.00 3.13 3.20 0.00 0.00 6.08 7.68 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 72 C 7.40 5.36 0.00 2.82 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 73 Y 9.03 5.19 0.00 2.79 2.80 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 74 Q 9.19 5.12 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 75 S 8.62 4.44 0.00 3.92 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 76 Y 8.92 4.48 0.00 3.07 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 77 S 7.80 5.11 0.00 3.78 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 78 T 8.30 4.12 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 1.04 0.00 0.00 79 M 9.17 5.02 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 80 S 9.41 4.83 0.00 3.91 3.79 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 81 I 8.88 5.14 1.92 0.00 0.00 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 1.27 0.67 0.98 0.00 0.00 82 T 8.87 4.93 4.32 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 1.23 0.00 0.00 83 D 9.37 5.11 0.00 2.72 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 84 C 9.38 5.60 0.00 2.86 2.88 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 85 R 8.75 5.19 0.00 1.95 1.80 0.00 3.13 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 E 9.04 4.16 0.00 1.96 1.78 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 2.13 1.91 0.00 87 T 8.39 4.20 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 1.19 0.00 0.00 88 G 8.70 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 0.00 0.00 0.00 89 S 7.82 4.45 0.00 3.98 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 90 S 7.21 3.76 0.00 3.84 3.66 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 91 K 8.30 3.71 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.40 7.81 92 Y 8.60 4.17 0.00 2.87 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 93 P 0.00 3.16 0.00 1.78 1.30 0.00 3.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 94 N 7.17 4.57 0.00 2.71 2.78 0.00 0.00 6.97 7.54 0.00 0.00 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 C 8.10 4.27 0.00 3.17 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 96 A 8.76 5.00 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 97 Y 9.47 5.13 0.00 2.82 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 98 K 9.16 4.55 0.00 1.82 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 99 T 8.60 4.94 4.32 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 1.28 0.00 0.00 100 T 8.78 4.54 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 1.23 0.00 0.00 101 Q 8.77 4.71 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 102 A 8.28 4.48 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 0.00 103 N 8.81 5.40 0.00 2.57 2.75 0.00 0.00 6.68 7.61 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 0.00 104 K 8.70 4.79 0.00 1.74 1.95 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.11 4.83 0.00 3.19 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.57 4.90 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 1.12 0.00 0.00 107 I 8.25 4.90 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.77 0.00 0.00 108 V 8.61 4.75 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 0.69 0.00 0.00 0.80 0.00 0.00 109 A 8.80 5.08 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 0.00 110 C 8.50 5.22 0.00 1.85 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 0.00 0.00 0.00 111 E 8.52 4.69 0.00 2.07 2.01 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 2.07 2.19 0.00 112 G 9.21 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 0.00 0.00 0.00 113 N 8.21 5.03 0.00 2.63 2.71 0.00 0.00 6.91 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 0.00 114 P 0.00 4.34 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.34 4.70 0.00 2.82 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 0.00 116 V 8.06 4.45 1.95 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 0.61 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.42 0.00 0.49 1.08 0.00 3.33 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 118 V 8.67 4.49 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 0.58 0.00 0.00 0.95 0.00 0.00 119 H 7.89 5.05 0.00 3.26 3.11 0.00 5.85 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 0.00 120 F 8.73 4.68 0.00 2.71 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 0.00 121 D 8.47 4.44 0.00 2.57 2.49 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 0.00 122 A 6.35 4.50 1.15 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 0.00 0.00 0.00 123 S 8.81 5.07 0.00 3.96 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 0.00 124 V 8.71 4.13 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 0.71 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.