NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.0030 8.2827 118.0819 53.5846 40.5579 172.7039 3 T 4.9579 9.0475 117.4231 59.5440 71.6189 166.7857 4 V 4.7069 8.4822 125.4091 61.0768 33.5411 174.3451 5 C 4.3025 8.7663 128.7872 59.3462 31.7150 174.6191 6 T 3.5666 8.8361 123.4035 65.9526 68.5645 175.3463 7 A 4.1868 7.2998 123.5775 53.3871 18.8543 176.4325 8 C 4.4375 7.1213 105.7831 58.8880 33.0408 173.1236 *10 A 4.2549 7.6137 118.6317 50.8918 20.4152 175.6252 11 T 4.6070 8.5067 112.1479 61.4888 70.2778 173.7383 12 N 5.0260 9.6602 122.5678 51.4173 42.1033 173.2639 13 R 4.6601 8.6610 124.1695 55.2597 30.9356 175.4156 14 L 4.8988 8.3897 125.5765 51.7876 45.0393 174.4639 15 P 4.3310 0.0000 0.0000 63.0428 31.9923 176.4262 16 E 4.0796 9.0125 121.3090 59.0492 29.5494 177.3192 17 E 4.5508 8.0104 117.1011 54.5735 31.1570 176.0263 18 R 4.5291 8.2787 122.7057 54.9321 32.0250 176.3764 19 I 4.0238 8.0101 119.3471 63.2001 37.6770 175.2766 20 D 4.3782 7.1951 116.7878 53.6752 40.9927 175.1785 21 D 4.7744 8.1896 116.9810 54.2327 41.2247 178.5392 22 G 3.3040 8.2910 109.8847 47.3847 0.0000 174.2463 23 A 3.9560 7.3721 121.6057 52.2104 19.0425 176.7277 24 K 4.9025 8.4905 121.7031 54.3555 34.9585 175.9805 25 C 4.1255 9.1249 125.1116 59.3878 31.8648 175.0544 26 G 3.6634 8.9837 115.2552 47.9528 0.0000 174.0223 27 R 4.3554 7.8763 118.4510 57.3154 31.2062 176.4224 28 C 4.6150 7.7170 107.9947 57.2752 31.8571 175.3804 29 G 4.0344 8.4058 108.8010 45.6187 0.0000 173.5742 30 H 4.2072 7.5239 119.1697 56.3845 30.9970 174.3492 31 S 4.4245 8.2419 119.9764 58.5849 62.3490 173.9110 32 L 3.9356 8.7176 126.9050 55.4461 41.9051 177.2812 33 F 4.9903 7.3056 116.1747 55.0968 39.3012 173.7685 34 D 4.4096 8.3499 123.1685 56.6171 40.9179 178.7925 35 G 3.8630 8.1775 104.7533 46.1913 0.0000 171.9228 36 E 4.4731 7.9205 119.1923 53.8429 31.0554 175.7347 37 V 4.0276 8.2130 125.6700 63.2644 32.5895 174.8589 38 I 4.4403 9.1350 128.8732 59.8989 39.1993 174.4185 39 N 5.2157 8.8744 124.7407 52.3997 39.0835 174.3380 40 A 4.7864 8.6430 126.7062 50.5754 21.1197 176.1359 41 T 4.5003 8.6005 110.6889 59.0527 71.5649 175.0311 42 A 4.0206 8.8721 124.6361 55.2983 18.3343 178.9033 43 E 4.1626 8.2092 116.3356 58.4296 30.0281 177.4779 44 T 4.5229 7.9480 107.2035 61.3502 71.1912 175.6779 45 L 3.8538 8.2140 123.6543 58.3049 41.6558 178.2321 46 D 4.4003 8.0701 115.7318 57.3171 41.5793 177.7713 47 K 4.1011 8.0641 118.3583 59.7260 31.6565 179.1143 48 L 4.0524 8.3189 119.3749 57.7965 41.2700 179.5288 49 L 4.1641 7.8976 117.7774 57.1000 41.6758 178.0108 50 Q 4.2383 7.7571 115.7040 56.3807 29.1281 175.7609 51 D 4.5007 7.3609 117.2672 54.9658 41.6009 176.1038 52 D 4.6713 8.3569 122.9464 55.3694 41.6024 177.5739 53 L 4.2498 7.9651 119.1675 53.7368 42.4734 176.0396 54 P 5.1335 0.0000 0.0000 61.9800 33.8886 174.2514 *56 V 4.2551 8.1909 117.8771 63.3527 33.0723 174.9241 57 I 4.8721 8.5331 127.9326 59.6123 40.1573 174.0161 58 D 4.8349 9.2178 128.5358 52.9302 42.1041 175.1440 59 F 5.1207 9.5532 127.2868 56.4578 40.3218 175.3667 60 W 5.5721 9.0534 120.1001 55.3795 32.4588 173.3575 61 A 4.1497 8.4319 119.8147 49.5688 21.5770 175.7641 62 P 4.5307 0.0000 0.0000 65.6502 31.6572 177.4643 63 W 4.2367 8.3561 116.3839 56.8263 29.0244 176.7434 64 C 4.8451 8.1536 120.1315 54.8303 38.1827 174.0652 65 G 3.7167 8.7021 115.8661 47.8053 0.0000 172.4579 66 P 4.3655 0.0000 0.0000 65.1004 31.2992 179.5076 67 C 4.4353 8.2084 115.2473 60.1133 40.0286 176.0706 68 R 3.8622 7.8614 118.6614 59.3290 29.6780 179.0578 69 S 4.2711 7.8051 113.8452 61.5670 63.1639 176.2387 70 F 4.2965 8.4653 123.0651 60.5661 38.9788 176.7686 71 A 3.7380 7.8891 121.2738 54.9210 18.0906 177.9554 72 P 4.0893 0.0000 0.0000 65.9038 31.2913 178.5995 73 I 3.6835 7.3898 119.3066 63.9585 36.9116 177.9921 74 F 4.0666 7.5351 121.3655 61.0650 39.2213 177.1980 75 A 3.7756 8.1157 120.6067 54.9726 18.0678 179.0042 76 E 3.7202 8.3951 118.2313 59.9807 29.4715 179.2742 77 T 3.7314 7.7597 113.9983 66.2859 68.8488 176.1866 78 A 2.5800 7.3132 122.5721 54.5902 18.0935 179.3985 79 A 4.0470 7.1859 119.0903 54.8537 18.4701 179.5152 80 E 4.0625 7.6699 115.8485 58.2235 29.6453 178.0145 81 R 4.5503 7.3549 117.3695 55.4395 30.9359 177.7576 82 A 3.8972 8.2497 123.6460 55.1885 18.2080 179.6704 83 G 4.0206 7.7937 100.2197 44.4242 0.0000 174.0801 84 K 4.4525 8.4978 118.1410 56.4618 35.2654 177.1071 85 V 4.6337 7.6584 116.0259 60.9656 34.4802 174.4315 86 R 4.7046 8.4805 125.7236 55.4619 31.6704 175.8475 87 F 4.9219 8.9682 120.7803 55.9016 41.8631 174.7243 88 V 5.1633 9.2808 116.8374 59.4864 36.0353 174.7909 89 K 5.1789 9.4674 122.0685 54.5848 35.9302 175.6431 90 V 4.6921 8.5110 123.0030 59.7819 34.6958 174.1604 91 N 4.0359 8.7050 123.8554 52.7063 38.9262 175.3427 92 T 3.8499 8.4789 118.9763 64.8636 68.8866 176.0227 93 E 3.9813 8.1930 120.6357 58.7476 29.7593 177.6985 94 A 4.2283 8.0161 120.4541 53.4279 19.7004 177.3048 95 E 4.7476 8.1504 115.9563 53.9160 29.6229 174.9460 96 P 4.4161 0.0000 0.0000 65.6448 31.8360 178.6425 97 A 4.0091 7.9603 120.2520 54.9757 18.3053 179.4176 98 L 4.1610 7.9344 117.0959 58.0101 41.7949 179.3763 99 S 4.1093 8.1292 113.1179 61.7470 62.4149 176.5265 100 T 3.8786 8.1617 118.3945 66.6278 68.0559 176.7995 101 R 3.9037 8.1792 119.6503 59.2673 30.2202 177.6722 102 F 4.1705 8.4841 114.2720 56.2929 40.0371 175.5970 103 R 3.7561 7.5986 116.4207 57.2217 27.7571 177.0219 104 I 3.8266 7.7872 117.7754 61.3539 37.8906 177.0581 105 R 4.5650 8.3223 122.5408 56.0084 32.0542 175.6463 106 S 4.6557 7.5178 110.3751 56.9530 65.4261 173.5120 107 I 4.8944 7.9731 114.8556 58.4520 40.3633 173.0431 108 P 4.8616 0.0000 0.0000 62.9094 33.3236 174.6695 109 T 4.8766 8.7512 119.2395 62.1181 70.6574 173.8923 110 I 5.6867 8.1987 126.7101 58.6446 40.3509 174.8339 *112 L 4.3160 8.1302 124.0379 55.5171 43.2765 175.1198 113 Y 5.0589 8.7453 122.8160 56.2984 41.2353 175.0005 114 R 4.6853 8.4935 121.1885 55.7498 33.9158 175.4363 115 N 4.0336 10.1337 122.4204 54.4072 35.9583 175.2538 116 G 4.3123 8.5380 104.2486 45.4038 0.0000 173.9770 117 K 4.3721 7.4870 119.1596 56.6477 32.6569 178.3556 *119 I 4.0417 8.5122 124.6823 61.9987 39.0108 174.2415 120 D 4.4292 7.3055 116.4381 53.8393 44.3347 173.6014 *122 L 3.7396 8.2647 115.9989 55.1025 43.1584 177.0278 123 N 4.9347 9.5665 123.0219 50.1739 37.5025 174.0614 124 G 4.1356 6.9319 109.0355 43.7008 0.0000 171.1953 125 A 3.4104 7.5859 124.5699 52.4771 18.9145 177.3884 126 V 4.3292 7.5293 117.1086 60.1073 34.5280 172.5082 127 P 4.7546 0.0000 0.0000 61.5613 34.0429 176.8762 128 K 3.9837 8.7032 117.2676 60.0169 31.9062 178.1991 129 A 4.0686 8.0146 120.0691 54.7949 18.4124 177.5588 130 P 4.3248 0.0000 0.0000 65.6855 31.4419 178.4435 131 F 4.7263 8.6138 119.4503 61.8577 39.2672 176.9937 132 D 4.3219 8.5075 118.3727 57.3787 40.5429 178.5767 133 N 4.4013 8.4128 117.2256 55.7416 38.4745 177.2994 134 W 4.2154 8.6180 130.0513 60.4950 30.8427 177.7534 135 L 3.4137 7.9301 118.7976 57.9231 40.8612 179.1282 136 D 4.2752 8.0201 117.7648 57.5583 40.7892 178.5158 137 E 4.0255 8.0344 119.5729 59.3741 29.4545 178.8502 138 Q 3.8847 7.7496 117.1510 58.3497 28.8120 177.7897 139 L 4.1106 7.4686 117.9216 56.0209 41.8247 178.2342 140 S 4.4606 7.4008 114.0832 59.0397 63.3080 174.2208 141 R 4.1253 7.7225 125.3084 56.3275 30.0373 176.1409 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 N 8.28 5.00 0.00 2.72 2.83 0.00 0.00 6.38 6.17 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 3 T 9.05 4.96 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 1.23 0.00 0.00 4 V 8.48 4.71 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 0.78 0.00 0.00 0.99 0.00 0.00 5 C 8.77 4.30 0.00 3.03 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 6 T 8.84 3.57 4.30 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 0.00 0.00 0.00 1.20 0.00 0.00 7 A 7.30 4.19 0.94 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 0.00 0.00 8 C 7.12 4.44 0.00 3.03 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 *10 A 7.61 4.25 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 11 T 8.51 4.61 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 1.22 0.00 0.00 12 N 9.66 5.03 0.00 2.62 2.70 0.00 0.00 6.40 5.72 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 13 R 8.66 4.66 0.00 1.83 1.84 0.00 3.18 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 14 L 8.39 4.90 0.00 1.71 1.60 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.33 0.00 2.15 2.03 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 16 E 9.01 4.08 0.00 1.96 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 2.33 2.30 0.00 17 E 8.01 4.55 0.00 1.92 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 2.20 2.29 0.00 18 R 8.28 4.53 0.00 1.74 1.95 0.00 3.39 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 19 I 8.01 4.02 1.87 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 1.47 0.50 0.91 0.00 0.00 20 D 7.20 4.38 0.00 2.70 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 21 D 8.19 4.77 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.37 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 4.90 0.00 1.63 1.71 0.00 1.98 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.34 7.81 25 C 9.12 4.13 0.00 2.94 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 26 G 8.98 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 0.00 0.00 0.00 27 R 7.88 4.36 0.00 1.77 1.95 0.00 3.21 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 28 C 7.72 4.62 0.00 3.08 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 29 G 8.41 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 0.00 0.00 0.00 30 H 7.52 4.21 0.00 3.24 3.17 0.00 5.59 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 31 S 8.24 4.42 0.00 3.82 3.65 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 32 L 8.72 3.94 0.00 1.01 0.91 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.31 4.99 0.00 3.00 3.09 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 0.00 0.00 0.00 0.00 34 D 8.35 4.41 0.00 2.69 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 35 G 8.18 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 0.00 0.00 0.00 36 E 7.92 4.47 0.00 1.98 1.86 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 2.23 2.34 0.00 37 V 8.21 4.03 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 1.07 0.00 0.00 0.94 0.00 0.00 38 I 9.14 4.44 1.92 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 1.26 0.84 0.93 0.00 0.00 39 N 8.87 5.22 0.00 2.65 2.84 0.00 0.00 6.99 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 40 A 8.64 4.79 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 41 T 8.60 4.50 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 1.22 0.00 0.00 42 A 8.87 4.02 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 43 E 8.21 4.16 0.00 1.95 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 2.33 2.30 0.00 44 T 7.95 4.52 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 45 L 8.21 3.85 0.00 1.70 1.73 0.72 0.57 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 46 D 8.07 4.40 0.00 2.76 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 47 K 8.06 4.10 0.00 2.01 1.86 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.56 7.81 48 L 8.32 4.05 0.00 1.84 1.71 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.90 4.16 0.00 1.84 1.80 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.76 4.24 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 51 D 7.36 4.50 0.00 2.90 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 52 D 8.36 4.67 0.00 2.91 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 53 L 7.97 4.25 0.00 1.82 1.67 1.12 0.93 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 54 P 0.00 5.13 0.00 2.08 2.22 0.00 4.04 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.79 0.00 *56 V 8.19 4.26 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 1.55 0.00 0.00 0.46 0.00 0.00 57 I 8.53 4.87 1.89 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.85 -0.02 0.00 0.00 58 D 9.22 4.83 0.00 1.58 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 0.00 0.00 0.00 59 F 9.55 5.12 0.00 3.07 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 60 W 9.05 5.57 0.00 3.52 3.33 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 61 A 8.43 4.15 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.53 0.00 2.24 2.38 0.00 3.58 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 63 W 8.36 4.24 0.00 3.29 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.15 4.85 0.00 3.09 3.42 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 65 G 8.70 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 0.00 0.00 0.00 66 P 0.00 4.37 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 67 C 8.21 4.44 0.00 3.33 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 68 R 7.86 3.86 0.00 1.99 1.99 0.00 3.11 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 69 S 7.81 4.27 0.00 4.08 3.96 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 0.00 0.00 0.00 70 F 8.47 4.30 0.00 3.13 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 71 A 7.89 3.74 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 72 P 0.00 4.09 0.00 2.20 2.25 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 73 I 7.39 3.68 1.57 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 1.52 0.45 0.82 0.00 0.00 74 F 7.54 4.07 0.00 2.56 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 75 A 8.12 3.78 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 76 E 8.40 3.72 0.00 2.02 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 2.38 2.30 0.00 77 T 7.76 3.73 4.38 0.00 0.00 0.00 0.00 0.00 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 78 A 7.31 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.19 4.05 1.24 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 0.00 0.00 0.00 80 E 7.67 4.06 0.00 1.93 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 2.28 2.39 0.00 81 R 7.35 4.55 0.00 1.93 1.93 0.00 3.38 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 82 A 8.25 3.90 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 83 G 7.79 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 0.00 0.00 0.00 84 K 8.50 4.45 0.00 1.69 1.78 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.27 7.81 85 V 7.66 4.63 2.34 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 0.65 0.00 0.00 0.93 0.00 0.00 86 R 8.48 4.70 0.00 1.80 1.92 0.00 3.46 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 87 F 8.97 4.92 0.00 2.69 2.57 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 88 V 9.28 5.16 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 0.81 0.00 0.00 0.82 0.00 0.00 89 K 9.47 5.18 0.00 1.86 1.77 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.50 7.81 90 V 8.51 4.69 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 0.00 0.00 0.96 0.00 0.00 91 N 8.70 4.04 0.00 2.49 2.56 0.00 0.00 6.97 7.22 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 92 T 8.48 3.85 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 1.34 0.00 0.00 93 E 8.19 3.98 0.00 2.00 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 2.22 2.19 0.00 94 A 8.02 4.23 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 95 E 8.15 4.75 0.00 2.04 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 2.24 2.32 0.00 96 P 0.00 4.42 0.00 2.26 2.29 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 97 A 7.96 4.01 1.37 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 0.00 0.00 98 L 7.93 4.16 0.00 1.98 1.86 0.93 0.96 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 99 S 8.13 4.11 0.00 3.93 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 0.00 100 T 8.16 3.88 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 101 R 8.18 3.90 0.00 1.83 2.22 0.00 3.15 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 1.27 1.47 0.00 102 F 8.48 4.17 0.00 2.82 2.81 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 0.00 103 R 7.60 3.76 0.00 1.94 1.94 0.00 3.12 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 104 I 7.79 3.83 1.76 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 1.07 0.22 0.86 0.00 0.00 105 R 8.32 4.57 0.00 1.72 1.90 0.00 3.38 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 106 S 7.52 4.66 0.00 3.90 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 0.00 107 I 7.97 4.89 1.94 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 1.41 0.77 0.93 0.00 0.00 108 P 0.00 4.86 0.00 2.06 2.23 0.00 3.57 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 1.83 1.81 0.00 109 T 8.75 4.88 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 1.29 0.00 0.00 110 I 8.20 5.69 1.70 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.29 1.36 0.00 0.00 *112 L 8.13 4.32 0.00 1.74 1.63 0.84 0.48 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 0.00 113 Y 8.75 5.06 0.00 3.09 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 0.00 114 R 8.49 4.69 0.00 1.81 1.78 0.00 3.26 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 1.55 1.56 0.00 115 N 10.13 4.03 0.00 2.85 2.87 0.00 0.00 7.28 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 0.00 116 G 8.54 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 0.00 0.00 0.00 0.00 117 K 7.49 4.37 0.00 1.77 1.21 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.37 7.81 *119 I 8.51 4.04 1.89 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 1.35 0.69 0.84 0.00 0.00 120 D 7.31 4.43 0.00 2.82 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 *122 L 8.26 3.74 0.00 1.26 1.18 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 123 N 9.57 4.93 0.00 2.63 2.72 0.00 0.00 7.00 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 0.00 124 G 6.93 4.14 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 0.00 125 A 7.59 3.41 1.20 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 0.00 0.00 0.00 0.00 0.00 126 V 7.53 4.33 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 0.96 0.00 0.00 0.87 0.00 0.00 127 P 0.00 4.75 0.00 2.37 2.25 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 128 K 8.70 3.98 0.00 1.95 1.93 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.67 7.81 129 A 8.01 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.32 0.00 2.31 2.22 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 131 F 8.61 4.73 0.00 3.40 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.51 4.32 0.00 2.93 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 0.00 133 N 8.41 4.40 0.00 2.97 2.93 0.00 0.00 6.58 7.17 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 0.00 134 W 8.62 4.22 0.00 3.48 3.54 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 0.00 0.00 0.00 0.00 135 L 7.93 3.41 0.00 1.72 1.52 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.02 4.28 0.00 2.59 2.70 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 0.00 137 E 8.03 4.03 0.00 2.07 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 2.27 2.33 0.00 138 Q 7.75 3.88 0.00 1.42 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 1.97 1.50 0.00 139 L 7.47 4.11 0.00 1.53 1.63 0.84 0.83 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 0.00 140 S 7.40 4.46 0.00 3.89 3.87 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 0.00 141 R 7.72 4.13 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.