NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.1087 8.2829 119.4107 57.7241 41.4677 177.3667 4 K 3.8405 8.4468 124.9183 59.9387 31.5095 180.0866 5 K 4.3021 8.2167 125.1137 59.3485 32.1298 180.8082 6 V 3.8193 7.8272 118.1954 65.8080 31.4906 177.8029 7 A 3.9565 8.3219 120.8169 55.1404 18.3045 179.2514 8 K 3.7909 8.0590 118.0664 60.0468 32.3147 178.6999 9 E 4.0695 8.1364 118.0918 59.4447 29.3719 179.3670 10 T 3.8873 8.4779 116.1333 66.5423 68.5386 176.6918 11 A 4.0040 8.3832 123.0951 55.2071 18.2696 179.7360 12 I 3.7278 7.8028 118.3419 64.6456 37.1079 178.9522 13 T 3.8982 7.7659 116.2335 66.6527 68.4233 176.6204 14 L 4.0743 8.0885 121.1449 58.0644 41.7302 179.3144 15 Q 3.9810 8.1896 119.0340 59.6169 28.9597 178.7274 16 S 4.5645 7.8550 117.1372 61.1804 62.8393 176.2455 17 Y 4.0218 8.5903 122.4487 60.8250 38.6565 178.0754 18 L 4.1171 8.5873 120.2423 57.8903 41.5995 179.7868 19 T 3.8560 7.8141 115.8489 66.6297 68.5219 175.9440 20 Y 3.9058 8.0307 121.5363 60.8745 38.8688 178.1195 21 Q 3.4520 8.2480 120.3642 58.7534 29.0144 178.1560 22 A 3.9337 7.7921 122.0506 54.9414 18.5700 179.7654 23 V 3.5982 7.8162 116.6492 65.6268 31.4061 178.4352 24 R 3.6568 7.3452 118.3236 59.2068 30.0841 178.0177 25 L 3.9013 7.5818 119.9433 58.2810 42.0590 178.9937 26 I 3.8484 7.7691 119.6793 64.4866 36.8041 178.4215 27 S 4.1454 7.7435 112.9368 61.3041 62.3968 175.6840 28 Q 4.1001 8.4335 121.2410 59.2828 28.3848 178.8036 29 Q 4.0098 7.9882 118.2841 59.2565 28.8426 178.9078 30 L 4.3633 8.0439 117.4788 55.6866 41.5242 178.4052 31 S 4.5780 8.2240 116.9204 60.0590 63.8177 175.8229 32 E 4.3974 7.7694 120.1183 59.4965 29.8191 180.8839 33 T 4.6823 7.7653 110.9411 64.7442 72.3115 173.8793 34 N 4.9388 8.0992 119.9486 49.8533 39.4036 173.0137 35 P 4.3785 0.0000 0.0000 65.3218 31.6197 177.5679 36 G 3.8343 8.2313 103.7986 48.1808 0.0000 175.2688 37 Q 4.0396 8.4299 121.4972 58.7882 29.0636 177.9361 38 A 4.0911 8.0185 121.4044 55.2613 18.3309 179.5580 39 I 3.7359 8.0406 118.3770 64.2635 37.1113 178.4437 40 W 4.1923 8.1276 129.0622 59.7321 30.4303 177.2410 41 L 4.2307 7.9525 119.9889 57.1327 42.0515 178.5879 42 G 3.7441 8.2447 107.8263 47.6786 0.0000 175.6136 43 E 4.3840 7.9075 119.5154 59.3580 30.3206 182.0380 44 F 4.0527 7.5437 119.2685 61.3060 39.0783 177.4035 45 S 4.6372 8.2349 116.4219 61.9624 62.6800 176.4417 46 K 4.1859 7.5874 128.0787 59.3762 31.6095 184.3388 47 R 4.0216 7.7569 123.7121 60.1067 29.8447 178.6095 48 H 5.0303 7.1925 112.3698 53.9177 32.5405 170.9388 49 P 4.6971 0.0000 0.0000 61.6748 32.4608 176.5911 50 I 3.2440 8.3386 123.9103 63.1760 38.3538 177.2927 51 Q 4.0273 8.0666 117.7913 57.7999 28.3578 182.0890 52 E 4.5107 7.6067 118.3314 55.1303 29.4811 177.2533 53 S 4.1929 8.3412 120.1216 61.6671 63.3387 176.0444 54 D 4.5030 8.1732 120.9372 57.3503 40.5795 178.7515 55 L 4.1818 7.9539 118.9623 57.1765 41.6290 178.3413 56 Y 4.1372 7.6984 118.6262 60.8877 38.8542 177.9923 57 L 4.2087 8.0402 118.4549 57.6399 41.8171 178.9557 58 E 4.2860 8.0358 117.4599 58.6308 30.4921 179.0581 59 A 4.2009 7.8868 122.6365 52.2675 16.0971 177.0322 *62 L 4.2979 8.0433 123.0267 54.7516 43.9788 178.3280 63 E 4.6978 7.8447 111.3334 55.9155 32.7654 181.1823 64 N 4.6250 7.6314 110.9813 51.6193 40.6104 174.2248 65 K 3.8320 7.9802 122.4822 59.4249 32.6012 178.2828 66 E 3.8889 8.0007 118.0117 59.5244 29.4969 179.1366 67 L 3.9697 7.9238 119.7249 57.8673 42.0706 179.0413 68 V 3.6011 7.5423 118.5409 66.0414 31.5874 178.0867 69 L 4.0397 7.7889 118.2907 57.6853 41.4409 179.4673 70 R 3.9582 7.9208 118.7547 59.1478 29.9075 178.6363 71 I 3.7211 7.9471 119.8459 64.3743 37.1138 178.1353 72 L 3.9905 7.9170 119.7792 58.2639 41.5390 179.9659 73 T 3.8962 7.8178 114.9828 66.6210 68.4766 177.2167 74 V 3.6279 7.8511 120.4205 65.8808 31.4709 178.2326 75 R 3.8978 8.2574 116.1418 59.3208 29.3392 178.3067 76 E 3.9107 8.0571 119.7082 59.0738 29.4955 178.7778 77 N 4.3551 7.9847 115.9527 56.1696 38.2191 177.2547 78 L 3.9710 8.0829 120.2307 57.7885 41.7731 179.1395 79 A 4.0713 8.1326 120.6683 55.7372 18.0988 179.6823 80 E 4.1667 7.9721 114.4451 59.0074 29.6000 179.4814 81 G 3.8388 8.1157 105.3824 46.6727 0.0000 174.1348 82 V 4.4236 7.4087 117.5356 64.7234 33.5604 177.0486 83 L 3.8519 7.9901 121.4931 58.8565 41.8207 179.8658 84 E 3.8492 8.2487 113.6515 59.2297 29.5475 180.8072 85 F 4.5251 7.6494 116.2732 59.5608 39.4148 177.0545 86 L 4.2160 8.0416 120.7903 57.3953 41.9408 176.6615 87 P 4.3295 0.0000 0.0000 66.4754 31.5032 179.3253 88 E 3.7842 8.2333 109.7958 57.2990 29.7258 180.2260 *90 V 4.0284 7.8802 120.3229 63.8641 33.3457 177.4375 91 L 4.0364 7.7488 120.8121 58.1410 41.6150 178.9018 92 S 4.1132 8.1700 113.2667 61.3295 62.2699 176.1852 93 Q 3.9817 7.9044 120.3144 59.0989 28.4930 178.5669 94 I 3.6929 8.2010 121.2183 64.2932 37.0720 178.7168 95 K 3.9785 7.9397 119.0244 59.3585 31.8622 179.2515 96 Q 3.9387 7.9018 119.9051 58.9871 28.9854 178.1352 97 S 3.9214 8.2280 114.2699 61.4576 62.4341 175.5072 98 N 4.3393 8.3933 119.7087 56.4928 38.3162 177.4421 99 G 3.6021 8.1092 106.5229 48.0825 0.0000 175.5167 100 N 4.3856 8.1993 119.6433 56.1441 38.5085 177.3990 101 H 4.3792 8.2921 117.6761 58.7346 28.8233 177.9566 102 R 3.9461 8.2354 120.0918 59.3540 29.6469 179.2813 103 R 3.9143 7.9535 117.6821 59.4587 29.9055 179.1923 104 S 4.1074 8.2644 112.5546 60.5817 62.0665 175.2337 105 L 4.4281 7.5107 121.1357 55.8810 42.4217 177.2004 106 L 4.6657 7.8535 119.4687 55.7116 41.9216 176.7662 107 E 4.4480 7.7709 115.0613 56.7572 32.8594 180.7291 108 R 4.1824 7.8308 121.4175 56.0928 29.1166 178.3420 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 3 F 8.28 5.11 0.00 3.16 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 4 K 8.45 3.84 0.00 1.84 1.84 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.13 7.81 5 K 8.22 4.30 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.06 7.81 6 V 7.83 3.82 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 1.00 0.00 0.00 0.98 0.00 0.00 7 A 8.32 3.96 1.40 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 0.00 0.00 8 K 8.06 3.79 0.00 2.05 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 E 8.14 4.07 0.00 2.30 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 2.33 2.35 0.00 10 T 8.48 3.89 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 1.21 0.00 0.00 11 A 8.38 4.00 1.32 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 0.00 0.00 12 I 7.80 3.73 2.01 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 1.54 1.50 0.93 0.00 0.00 13 T 7.77 3.90 4.40 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 1.20 0.00 0.00 14 L 8.09 4.07 0.00 1.97 1.81 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.19 3.98 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 16 S 7.85 4.56 0.00 4.10 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 17 Y 8.59 4.02 0.00 3.14 3.19 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 18 L 8.59 4.12 0.00 1.73 1.73 0.98 0.84 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 19 T 7.81 3.86 4.43 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 1.24 0.00 0.00 20 Y 8.03 3.91 0.00 2.90 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 21 Q 8.25 3.45 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 22 A 7.79 3.93 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 23 V 7.82 3.60 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 1.07 0.00 0.00 1.05 0.00 0.00 24 R 7.35 3.66 0.00 1.48 1.80 0.00 2.88 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 25 L 7.58 3.90 0.00 1.93 1.60 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.77 3.85 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.93 0.00 0.00 27 S 7.74 4.15 0.00 4.15 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 28 Q 8.43 4.10 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 29 Q 7.99 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 30 L 8.04 4.36 0.00 1.73 1.71 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.22 4.58 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.77 4.40 0.00 2.04 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 2.23 2.21 0.00 33 T 7.77 4.68 4.39 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 1.20 0.00 0.00 34 N 8.10 4.94 0.00 2.69 2.63 0.00 0.00 7.37 9.02 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 35 P 0.00 4.38 0.00 2.21 2.13 0.00 3.68 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 2.13 2.19 0.00 36 G 8.23 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 37 Q 8.43 4.04 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 38 A 8.02 4.09 1.40 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 0.00 0.00 39 I 8.04 3.74 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.98 0.00 0.00 40 W 8.13 4.19 0.00 3.45 3.37 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 0.00 0.00 0.00 0.00 41 L 7.95 4.23 0.00 2.16 1.94 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.24 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 43 E 7.91 4.38 0.00 1.93 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 2.18 2.17 0.00 44 F 7.54 4.05 0.00 1.94 2.37 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 0.00 0.00 0.00 0.00 45 S 8.23 4.64 0.00 4.19 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 46 K 7.59 4.19 0.00 1.92 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 47 R 7.76 4.02 0.00 1.93 1.92 0.00 3.19 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 48 H 7.19 5.03 0.00 2.68 3.06 0.00 5.61 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 49 P 0.00 4.70 0.00 2.22 2.16 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 50 I 8.34 3.24 1.50 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.20 0.88 0.00 0.00 51 Q 8.07 4.03 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 52 E 7.61 4.51 0.00 1.91 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 2.28 2.49 0.00 53 S 8.34 4.19 0.00 3.91 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 54 D 8.17 4.50 0.00 2.72 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 55 L 7.95 4.18 0.00 1.74 1.73 0.95 0.86 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 56 Y 7.70 4.14 0.00 3.12 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 57 L 8.04 4.21 0.00 1.76 1.78 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.04 4.29 0.00 2.19 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 2.37 2.36 0.00 59 A 7.89 4.20 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 *62 L 8.04 4.30 0.00 1.77 1.84 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.84 4.70 0.00 1.92 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 2.11 1.82 0.00 64 N 7.63 4.62 0.00 1.99 2.38 0.00 0.00 7.22 6.12 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 65 K 7.98 3.83 0.00 1.78 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.53 7.81 66 E 8.00 3.89 0.00 2.08 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 2.35 2.31 0.00 67 L 7.92 3.97 0.00 1.79 1.58 0.92 0.77 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 68 V 7.54 3.60 2.24 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 0.99 0.00 0.00 0.94 0.00 0.00 69 L 7.79 4.04 0.00 1.88 1.69 0.91 1.10 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 70 R 7.92 3.96 0.00 2.08 1.91 0.00 3.08 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 71 I 7.95 3.72 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 0.97 0.00 0.00 72 L 7.92 3.99 0.00 1.85 1.75 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.82 3.90 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 1.21 0.00 0.00 74 V 7.85 3.63 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 0.97 0.00 0.00 75 R 8.26 3.90 0.00 2.08 2.18 0.00 2.87 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 76 E 8.06 3.91 0.00 2.25 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 2.32 2.38 0.00 77 N 7.98 4.36 0.00 3.00 2.85 0.00 0.00 6.96 6.42 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 78 L 8.08 3.97 0.00 1.84 1.74 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.13 4.07 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 80 E 7.97 4.17 0.00 1.99 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 2.39 2.60 0.00 81 G 8.12 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 0.00 0.00 0.00 82 V 7.41 4.42 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 1.09 0.00 0.00 1.03 0.00 0.00 83 L 7.99 3.85 0.00 2.00 1.71 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.25 3.85 0.00 1.98 1.90 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 2.24 1.94 0.00 85 F 7.65 4.53 0.00 3.19 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 86 L 8.04 4.22 0.00 1.85 1.76 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.33 0.00 2.16 2.09 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 88 E 8.23 3.78 0.00 1.89 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 2.32 1.88 0.00 *90 V 7.88 4.03 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 0.90 0.00 0.00 0.98 0.00 0.00 91 L 7.75 4.04 0.00 1.81 1.82 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.17 4.11 0.00 3.96 3.92 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 93 Q 7.90 3.98 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 94 I 8.20 3.69 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 0.91 0.00 0.00 95 K 7.94 3.98 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 96 Q 7.90 3.94 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 97 S 8.23 3.92 0.00 3.94 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 98 N 8.39 4.34 0.00 3.04 2.87 0.00 0.00 6.99 7.73 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 99 G 8.11 3.60 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 0.00 0.00 0.00 100 N 8.20 4.39 0.00 2.69 2.88 0.00 0.00 7.13 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 0.00 101 H 8.29 4.38 0.00 3.16 3.32 0.00 5.63 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 0.00 102 R 8.24 3.95 0.00 1.98 1.99 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 103 R 7.95 3.91 0.00 2.14 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 104 S 8.26 4.11 0.00 3.92 4.07 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 0.00 0.00 0.00 0.00 105 L 7.51 4.43 0.00 1.77 1.88 0.92 1.32 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 0.00 106 L 7.85 4.67 0.00 1.66 1.66 0.92 0.68 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 0.00 107 E 7.77 4.45 0.00 1.95 1.70 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 2.15 2.08 0.00 108 R 7.83 4.18 0.00 1.88 1.73 0.00 3.27 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 1.59 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.