NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.3425 7.8833 121.0553 60.8742 40.0038 173.7822 7 L 4.9538 8.7493 127.8795 52.1039 44.5960 171.8199 8 E 4.5516 9.9512 126.3081 54.6916 31.9805 174.1094 9 I 4.8633 8.4579 128.2974 59.4663 40.0377 174.4052 10 L 4.9073 8.7762 127.6287 52.9134 44.0466 175.2523 11 Y 5.3770 7.8410 121.6586 55.5770 41.6501 174.3344 12 Y 5.3138 9.2809 117.6252 56.1998 43.1807 174.4566 13 K 3.8799 9.4972 126.4264 55.9622 33.2077 176.4382 14 K 3.9372 8.3334 127.8344 58.3804 32.5459 176.8587 15 G 3.9883 8.8174 110.7779 45.3416 0.0000 173.8589 16 K 3.8616 7.3832 120.3934 55.8994 32.6707 175.6775 17 E 4.3917 8.1048 125.2795 54.9537 31.1812 175.7697 18 F 4.8239 8.3854 119.6591 57.1022 40.4680 177.5606 19 G 3.6713 8.2441 112.1680 48.6053 0.0000 176.7419 20 I 3.9072 7.6984 121.9610 64.1931 35.3450 179.8649 21 L 4.1855 7.8897 119.5694 58.6933 42.1669 178.4323 22 E 4.1290 8.1892 117.0993 59.3004 29.6054 179.1006 23 K 4.1890 8.1016 119.6846 59.1436 32.3047 179.3989 24 K 4.4034 8.0806 118.6308 56.4075 32.2693 179.1563 *26 K 4.3102 8.0547 121.6291 56.6565 34.1036 177.2073 27 E 4.0266 8.4551 118.3411 59.7334 29.2553 179.5609 28 I 3.7538 8.0379 119.7072 64.2953 37.1755 178.2151 29 F 4.4770 8.1925 122.3696 60.9936 39.0562 176.7823 30 N 4.1925 8.2605 114.8166 55.3142 38.3420 176.6197 31 E 4.1762 7.7229 120.2051 58.5929 30.2614 177.5956 32 T 4.3222 8.1125 107.5840 61.2043 69.6704 175.8688 33 G 3.5190 7.7824 108.7292 45.2736 0.0000 172.9006 34 V 4.3432 7.5921 119.8704 60.7827 32.8396 174.4854 35 S 4.8485 8.8545 122.3337 57.2471 63.0364 172.7888 36 L 4.7958 8.4078 127.4899 53.0638 43.4661 175.6304 37 E 4.7795 8.3151 120.8979 53.4831 33.1588 174.0568 38 P 4.3243 0.0000 0.0000 62.4561 31.9614 176.6968 39 V 3.7778 8.2381 122.7569 62.3373 32.1318 175.4691 40 N 4.5498 8.8180 124.6055 54.0748 39.1899 174.2323 41 S 4.8768 9.1604 116.7647 56.8961 66.2671 174.3871 42 E 2.5400 8.6725 117.2297 58.0881 29.4149 177.6455 43 L 4.4216 7.8452 119.9300 56.9712 43.2905 176.5214 44 I 4.2380 7.2066 114.8816 60.2639 42.1548 173.5207 45 G 3.8919 6.3808 112.9915 45.7450 0.0000 171.8539 46 R 5.0283 9.1699 120.4413 54.2179 32.6224 174.3796 47 I 4.5432 8.4972 119.0566 58.9383 41.7710 173.9689 48 F 4.9401 8.5372 121.5319 55.4231 41.9045 174.2144 49 L 5.0626 8.8868 124.8561 52.9909 45.2710 174.7465 50 K 4.7855 8.9002 127.1269 54.5970 35.0248 174.3833 51 I 4.6536 8.2502 127.5538 59.6596 39.2045 174.9509 52 S 4.7251 8.6815 123.3658 56.6055 65.7629 173.1341 53 V 4.7655 8.3492 124.3775 61.4389 32.9708 175.1638 54 L 4.5627 9.0004 128.5387 54.2786 43.3270 176.6244 55 E 4.4582 9.0063 121.8132 55.6770 31.0775 176.0315 56 E 4.1596 8.4673 122.4855 57.9882 30.0913 177.3005 57 G 3.9304 9.0419 112.8444 45.5171 0.0000 172.5455 58 E 4.5605 7.6796 118.3197 53.9577 31.7539 176.0127 59 E 4.2374 8.4622 122.8621 56.0021 30.3445 177.3669 60 V 3.9255 8.1547 115.8326 60.4540 32.3753 174.5696 61 P 4.4784 0.0000 0.0000 63.1227 32.0529 176.1606 62 S 4.3979 8.6195 115.3113 59.1199 65.1629 173.9338 63 F 5.3430 8.1386 115.7910 55.4825 42.9073 174.1363 64 A 4.7370 9.2182 124.1777 50.3696 21.1674 175.6191 65 I 4.7932 8.3584 123.2446 59.4389 39.7914 175.3061 66 K 4.4600 9.0684 127.2089 55.2746 33.1088 175.6128 67 A 5.3147 8.6124 126.5822 50.0222 22.0316 175.0994 68 L 4.8696 9.0766 119.5658 53.1112 45.3561 175.5896 69 T 4.9661 8.4476 116.8515 59.7491 69.6107 172.0989 70 P 4.5073 0.0000 0.0000 63.2370 32.1622 176.6499 71 K 3.9999 7.5999 119.2660 57.2062 32.2753 176.7488 72 E 4.3563 8.6783 121.3242 56.8049 30.1036 175.7274 73 N 5.0375 7.7758 114.7290 51.1625 40.6498 173.7200 74 A 4.6783 8.2695 119.9753 52.1756 19.4312 178.8892 75 V 3.7595 7.6670 112.4218 64.3055 31.5994 176.8250 76 D 4.6447 7.9921 117.7634 53.1130 39.9351 175.7914 77 L 4.6169 7.6947 121.4725 52.4291 43.0521 174.5839 78 P 4.4620 0.0000 0.0000 62.1470 32.3555 175.1034 79 L 4.3816 8.3412 122.3029 54.6157 43.0998 176.2424 80 G 3.8182 8.8943 114.1077 46.4695 0.0000 172.0858 81 D 4.8453 7.5959 116.6732 51.5295 44.7652 174.5466 82 W 4.3038 8.6511 121.4718 56.8765 29.7343 175.6129 83 T 4.3655 7.9190 114.1471 62.1454 69.5778 171.5415 84 D 4.9506 8.6169 122.2595 52.2875 43.1058 176.0639 85 L 4.5140 8.5282 125.7977 53.5103 42.5231 176.7633 86 K 4.1964 8.5221 125.8189 54.7138 33.1963 173.1841 87 N 4.2077 8.6566 120.8357 54.2254 36.7807 173.5316 88 V 4.5673 7.2667 110.7748 59.4014 35.3580 175.5952 89 F 4.4959 8.9140 125.7583 57.2723 40.4603 174.8462 90 V 4.1037 7.8510 127.2188 62.7645 31.1553 174.6554 91 E 4.4748 9.2863 130.0353 57.6466 30.9898 176.0005 92 E 4.8578 7.8608 116.7439 54.7607 34.3960 174.4753 93 I 5.1044 8.3645 122.6366 59.6926 40.8522 174.4911 94 D 5.0698 9.3195 126.0583 52.6307 44.4011 174.2807 95 Y 4.6441 8.8470 124.6503 57.0045 39.7634 174.6569 96 L 4.3634 7.6144 126.7997 54.1155 42.8417 176.7409 97 D 4.5026 8.6942 122.5560 54.4422 42.3961 175.2196 98 S 4.9327 8.4276 116.3311 57.0041 65.2484 173.6031 99 Y 4.4739 8.1618 124.7609 56.3654 41.0559 175.7905 100 G 3.5526 7.8303 119.5137 47.1833 0.0000 175.1436 101 D 4.5212 8.4761 120.3520 52.8803 39.4063 175.8031 *103 K 4.3591 7.4788 119.0612 56.3615 34.8175 176.6620 104 I 4.9862 8.5153 123.9534 59.5097 41.0377 173.8601 105 L 4.9967 9.1826 129.8398 53.3730 43.9997 174.7652 106 S 4.9334 8.7945 121.0026 56.2402 65.0293 172.9702 107 E 4.5134 8.8776 124.8618 54.5289 32.4838 178.3749 108 K 3.6807 9.0866 125.3359 58.0955 33.4371 175.2570 109 N 5.0240 9.5571 112.6081 51.9274 38.2431 173.8165 110 W 5.1981 8.4382 119.8856 55.5709 31.7763 174.3805 111 Y 5.2549 9.5190 122.1221 56.0908 41.6742 174.7012 112 K 4.9564 9.1826 121.8306 54.5184 35.7889 175.2535 113 I 4.9274 8.4177 118.6429 59.1914 40.6719 174.0864 114 Y 5.1303 8.8309 121.6077 56.4612 40.7768 175.4674 115 V 4.7467 8.6779 116.8584 58.6686 36.4202 173.5107 116 P 4.7405 0.0000 0.0000 62.4556 32.6844 176.2428 117 Y 4.2800 8.7579 123.0957 61.3776 38.3961 179.1259 118 S 3.8495 8.1356 112.6817 61.5068 62.9752 176.0218 119 S 4.3832 7.8441 117.3770 59.8260 62.9175 175.1797 120 V 4.4727 7.3390 113.9833 60.7820 32.5197 177.8105 121 K 3.7545 8.2262 121.9545 58.9195 31.8441 178.2191 122 K 4.5793 7.8369 115.4851 55.8826 32.6897 175.5615 123 K 4.7662 7.6824 118.3752 54.9606 33.8175 176.6332 124 N 4.8487 8.5798 120.8062 51.2918 40.5788 176.1347 125 R 3.8954 8.4457 119.7106 59.7655 29.8633 177.8967 126 N 4.3914 8.2722 115.5643 56.4511 38.6230 177.0345 127 E 4.0157 8.4155 119.7814 59.3197 29.4854 179.3710 128 L 3.9699 7.7265 118.6583 57.9444 41.5439 179.6915 129 V 3.5893 7.8605 116.9310 66.1140 31.5012 177.3260 130 E 4.2614 8.3315 118.0568 59.2677 29.8611 178.3419 131 E 4.3044 8.3166 118.7475 59.2598 29.4982 180.0395 132 F 3.9829 8.2571 118.6687 58.6011 39.5248 176.8909 *134 K 4.2130 7.9966 117.3053 56.1663 34.0556 177.3538 135 Y 3.1145 7.0879 118.8633 60.3122 38.0816 178.0698 136 F 3.0532 7.3249 121.3912 60.9190 39.2827 177.0273 137 F 3.8591 7.0427 116.6137 60.5586 38.8578 177.4048 138 E 3.8105 7.8988 118.3320 59.2437 28.9669 179.5432 139 S 3.7287 7.2668 113.6418 60.6227 62.8625 175.9003 140 K 3.5577 6.4855 119.5471 55.4197 31.8965 177.1887 141 G 3.7141 7.2012 106.8951 45.8178 0.0000 173.3023 142 W 5.0238 7.5935 118.1188 54.3094 31.7930 175.4071 143 N 4.6892 8.7037 119.5303 52.2332 38.6659 174.2542 144 P 3.9800 0.0000 0.0000 65.3879 31.6535 178.5304 145 G 3.7581 8.2089 105.4812 47.2689 0.0000 173.8234 146 E 4.3505 8.3531 119.3428 56.2089 29.7478 174.7527 147 Y 5.2942 7.5142 116.5351 56.3048 41.5680 174.9055 148 T 4.9781 8.9079 111.9992 60.2509 72.2758 172.7971 149 F 5.7418 8.0903 115.8685 55.6726 41.0645 173.5336 150 S 4.9801 9.4654 114.9175 56.6387 66.2672 172.7714 151 V 4.8662 8.4435 120.6817 61.2922 33.9724 174.4420 152 Q 4.6211 8.8757 127.5180 54.2648 32.5448 173.8340 153 E 4.6427 8.9066 125.8270 56.1011 30.6225 176.7298 154 I 4.2761 8.2053 116.6319 61.1311 37.4675 175.1113 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 6 I 7.88 4.34 1.97 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.99 0.00 0.00 7 L 8.75 4.95 0.00 1.51 1.46 0.86 0.49 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 8 E 9.95 4.55 0.00 2.06 1.77 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 2.01 1.79 0.00 9 I 8.46 4.86 1.58 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.36 0.75 0.00 0.00 10 L 8.78 4.91 0.00 1.47 1.11 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.84 5.38 0.00 3.41 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 12 Y 9.28 5.31 0.00 3.02 3.07 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 13 K 9.50 3.88 0.00 1.82 1.63 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.60 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.17 0.93 7.81 14 K 8.33 3.94 0.00 1.69 1.68 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.44 7.81 15 G 8.82 3.99 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 0.00 0.00 0.00 16 K 7.38 3.86 0.00 1.58 1.52 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.34 1.01 7.81 17 E 8.10 4.39 0.00 1.81 1.72 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 2.11 2.16 0.00 18 F 8.39 4.82 0.00 3.04 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 19 G 8.24 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 20 I 7.70 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.91 0.00 0.00 21 L 7.89 4.19 0.00 1.74 2.13 1.00 1.11 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 22 E 8.19 4.13 0.00 2.16 2.03 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 2.37 2.49 0.00 23 K 8.10 4.19 0.00 1.86 1.95 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 24 K 8.08 4.40 0.00 2.00 1.83 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.67 7.81 *26 K 8.05 4.31 0.00 1.86 2.03 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.60 7.81 27 E 8.46 4.03 0.00 2.24 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 2.36 2.53 0.00 28 I 8.04 3.75 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.97 0.00 0.00 29 F 8.19 4.48 0.00 3.11 3.28 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 30 N 8.26 4.19 0.00 2.88 2.83 0.00 0.00 6.98 7.16 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 31 E 7.72 4.18 0.00 1.90 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 2.27 2.29 0.00 32 T 8.11 4.32 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 1.26 0.00 0.00 33 G 7.78 3.52 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 0.00 34 V 7.59 4.34 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 1.01 0.00 0.00 1.03 0.00 0.00 35 S 8.85 4.85 0.00 3.56 3.71 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 36 L 8.41 4.80 0.00 1.69 1.59 0.96 0.94 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 37 E 8.32 4.78 0.00 1.91 1.79 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 2.18 2.23 0.00 38 P 0.00 4.32 0.00 1.95 1.96 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 39 V 8.24 3.78 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 0.87 0.00 0.00 0.98 0.00 0.00 40 N 8.82 4.55 0.00 2.90 3.07 0.00 0.00 6.82 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 41 S 9.16 4.88 0.00 4.00 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 42 E 8.67 2.54 0.00 1.16 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 2.15 2.10 0.00 43 L 7.85 4.42 0.00 1.75 1.90 0.95 0.50 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 44 I 7.21 4.24 1.73 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.90 0.87 0.00 0.00 45 G 6.38 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 46 R 9.17 5.03 0.00 1.49 1.54 0.00 3.23 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.03 0.00 47 I 8.50 4.54 1.86 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.38 0.86 0.00 0.00 48 F 8.54 4.94 0.00 1.60 2.16 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 49 L 8.89 5.06 0.00 1.24 1.18 -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.90 4.79 0.00 1.90 1.57 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.30 7.81 51 I 8.25 4.65 1.79 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 1.17 0.60 0.84 0.00 0.00 52 S 8.68 4.73 0.00 3.48 3.77 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 53 V 8.35 4.77 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 1.01 0.00 0.00 0.98 0.00 0.00 54 L 9.00 4.56 0.00 1.76 1.73 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.01 4.46 0.00 2.14 1.84 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 2.37 2.35 0.00 56 E 8.47 4.16 0.00 2.01 1.82 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 2.34 2.43 0.00 57 G 9.04 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 0.00 0.00 0.00 58 E 7.68 4.56 0.00 2.26 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 0.00 2.15 2.27 0.00 59 E 8.46 4.24 0.00 1.99 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 2.31 2.27 0.00 60 V 8.15 3.93 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 0.78 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.48 0.00 1.88 1.79 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 0.00 62 S 8.62 4.40 0.00 3.88 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 63 F 8.14 5.34 0.00 2.96 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 64 A 9.22 4.74 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 65 I 8.36 4.79 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 1.33 0.73 0.88 0.00 0.00 66 K 9.07 4.46 0.00 1.70 1.75 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 67 A 8.61 5.31 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 68 L 9.08 4.87 0.00 1.62 1.55 0.99 0.58 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 69 T 8.45 4.97 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 1.21 0.00 0.00 70 P 0.00 4.51 0.00 2.21 2.12 0.00 3.84 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 1.97 1.98 0.00 71 K 7.60 4.00 0.00 1.81 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.42 7.81 72 E 8.68 4.36 0.00 1.94 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 2.26 2.28 0.00 73 N 7.78 5.04 0.00 2.74 2.72 0.00 0.00 5.88 7.26 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 74 A 8.27 4.68 1.27 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 0.00 0.00 0.00 75 V 7.67 3.76 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 76 D 7.99 4.64 0.00 2.78 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 77 L 7.69 4.62 0.00 1.74 1.62 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.46 0.00 2.17 2.05 0.00 3.74 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 1.96 1.96 0.00 79 L 8.34 4.38 0.00 1.58 1.58 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.89 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 0.00 0.00 0.00 81 D 7.60 4.85 0.00 2.59 2.52 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 82 W 8.65 4.30 0.00 3.30 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 83 T 7.92 4.37 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 1.22 0.00 0.00 84 D 8.62 4.95 0.00 2.69 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 85 L 8.53 4.51 0.00 1.61 1.61 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.52 4.20 0.00 1.77 1.59 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 0.99 7.81 87 N 8.66 4.21 0.00 2.80 2.85 0.00 0.00 6.93 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 88 V 7.27 4.57 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 0.84 0.00 0.00 0.93 0.00 0.00 89 F 8.91 4.50 0.00 3.13 2.92 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 90 V 7.85 4.10 1.81 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 0.67 0.00 0.00 0.81 0.00 0.00 91 E 9.29 4.47 0.00 2.16 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 0.00 2.32 2.47 0.00 92 E 7.86 4.86 0.00 1.91 1.77 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 2.31 2.35 0.00 93 I 8.36 5.10 1.87 0.00 0.00 0.75 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 0.55 0.89 0.00 0.00 94 D 9.32 5.07 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.64 0.00 2.97 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 96 L 7.61 4.36 0.00 1.19 1.38 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.69 4.50 0.00 2.59 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 98 S 8.43 4.93 0.00 3.71 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 99 Y 8.16 4.47 0.00 2.69 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 0.00 100 G 7.83 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.52 0.00 2.68 2.66 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 *103 K 7.48 4.36 0.00 1.78 1.72 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.58 7.81 104 I 8.52 4.99 1.61 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.90 1.09 0.00 0.00 105 L 9.18 5.00 0.00 1.91 1.67 0.96 0.72 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 0.00 106 S 8.79 4.93 0.00 3.97 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 0.00 107 E 8.88 4.51 0.00 2.07 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 2.37 2.31 0.00 108 K 9.09 3.68 0.00 2.09 1.52 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.53 7.81 109 N 9.56 5.02 0.00 3.09 3.21 0.00 0.00 5.76 8.88 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 0.00 110 W 8.44 5.20 0.00 3.40 3.21 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 0.00 111 Y 9.52 5.25 0.00 2.55 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 0.00 112 K 9.18 4.96 0.00 1.69 1.37 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 113 I 8.42 4.93 1.78 0.00 0.00 0.75 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 0.88 0.73 0.00 0.00 114 Y 8.83 5.13 0.00 2.83 2.92 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 0.00 115 V 8.68 4.75 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 0.80 0.00 0.00 0.95 0.00 0.00 116 P 0.00 4.74 0.00 2.26 2.23 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 117 Y 8.76 4.28 0.00 3.32 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 0.00 118 S 8.14 3.85 0.00 4.01 4.01 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 0.00 0.00 0.00 119 S 7.84 4.38 0.00 4.00 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 0.00 120 V 7.34 4.47 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 0.82 0.00 0.00 0.99 0.00 0.00 121 K 8.23 3.75 0.00 1.49 1.71 0.00 1.02 0.00 0.00 1.31 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.89 0.27 7.81 122 K 7.84 4.58 0.00 1.69 1.76 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.37 7.81 123 K 7.68 4.77 0.00 1.87 1.72 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.33 7.81 124 N 8.58 4.85 0.00 3.02 2.96 0.00 0.00 6.52 7.82 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 0.00 125 R 8.45 3.90 0.00 1.91 2.00 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 126 N 8.27 4.39 0.00 3.11 2.91 0.00 0.00 7.15 7.66 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 0.00 127 E 8.42 4.02 0.00 2.21 2.03 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 2.36 2.52 0.00 128 L 7.73 3.97 0.00 1.80 1.71 0.93 1.34 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 0.00 129 V 7.86 3.59 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 0.81 0.00 0.00 0.98 0.00 0.00 130 E 8.33 4.26 0.00 2.17 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 0.00 2.46 2.53 0.00 131 E 8.32 4.30 0.00 2.29 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 0.00 2.43 2.55 0.00 132 F 8.26 3.98 0.00 3.03 3.07 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 *134 K 8.00 4.21 0.00 2.11 1.94 0.00 1.92 0.00 0.00 1.86 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.55 7.81 135 Y 7.09 3.11 0.00 1.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.32 3.05 0.00 1.62 1.79 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 0.00 137 F 7.04 3.86 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 0.00 138 E 7.90 3.81 0.00 1.81 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 2.30 2.35 0.00 139 S 7.27 3.73 0.00 3.45 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 0.00 140 K 6.49 3.56 0.00 0.79 0.74 0.00 0.96 0.00 0.00 1.01 0.00 0.00 2.39 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.21 7.81 141 G 7.20 3.71 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 0.00 0.00 0.00 142 W 7.59 5.02 0.00 3.30 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 0.00 143 N 8.70 4.69 0.00 2.78 2.75 0.00 0.00 6.97 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 0.00 144 P 0.00 3.98 0.00 2.35 2.40 0.00 3.71 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 145 G 8.21 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 0.00 0.00 0.00 146 E 8.35 4.35 0.00 2.00 1.61 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 2.16 2.21 0.00 147 Y 7.51 5.29 0.00 2.35 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 0.00 148 T 8.91 4.98 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 1.24 0.00 0.00 149 F 8.09 5.74 0.00 3.16 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 0.00 150 S 9.47 4.98 0.00 3.93 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 0.00 151 V 8.44 4.87 2.14 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 0.81 0.00 0.00 1.11 0.00 0.00 152 Q 8.88 4.62 0.00 2.21 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 153 E 8.91 4.64 0.00 1.91 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 2.32 2.31 0.00 154 I 8.21 4.28 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.