NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 D 4.5112 8.2233 120.1842 53.2568 41.9983 176.0987 -2 P 3.9993 0.0000 0.0000 64.4210 31.3387 176.2404 -1 F 5.0323 7.8239 116.0674 57.0606 39.8689 175.4456 0 T 4.3463 7.8883 112.2174 59.6816 69.2171 172.7960 -1 L 4.7523 7.6839 117.5674 54.4606 42.6689 177.2456 0 H 4.7263 8.1583 116.8174 52.8816 28.4171 172.1960 4 I 4.3728 8.8158 123.8016 59.0203 40.4709 173.6157 5 E 4.5899 8.6173 130.6996 55.2590 30.4493 175.0102 6 F 5.2419 9.0782 126.0200 56.0200 42.5090 174.6910 7 I 4.7327 8.9357 122.4356 60.1792 39.0167 176.2703 8 T 3.1953 8.0606 124.1424 61.6921 69.3389 175.4909 9 D 4.5839 8.2733 122.1809 55.9905 39.1482 177.4687 10 L 4.4599 7.8027 117.3091 54.1992 41.9846 177.1834 11 G 3.8143 8.4155 106.9135 45.2177 0.0000 174.1205 12 A 4.1234 7.3232 121.4871 51.4278 20.1352 177.1516 13 K 4.4116 8.4535 122.3304 55.2264 32.6477 175.6639 14 V 4.4147 8.3262 127.3314 61.2479 34.5034 174.0377 15 T 4.9853 8.6734 124.5295 62.0349 70.2419 173.9216 16 V 4.3544 8.6246 127.1690 61.0813 33.3816 174.8399 17 D 4.9308 8.8627 128.0255 54.4672 41.5830 175.7430 18 V 4.3600 8.0421 121.6605 60.9258 33.5539 174.8244 19 E 4.0324 9.2005 128.9263 58.8382 29.8514 176.5061 20 S 4.9756 7.5371 109.8002 56.3062 65.1621 176.5910 21 A 4.0357 8.3552 122.9559 55.4171 17.7042 179.1661 22 D 4.5610 8.1057 114.9513 55.0463 39.7752 177.4368 23 K 4.4662 7.9074 119.5306 56.0713 32.5958 177.5249 24 L 3.9512 7.6780 122.5131 58.4133 42.0349 178.9862 25 L 4.0549 7.9296 118.3212 57.7495 41.4506 179.1408 26 D 4.3291 8.0625 118.4718 57.5006 41.0123 178.8536 27 V 3.7149 7.7025 118.4140 65.8794 31.4382 177.9263 28 Q 4.2713 8.3113 119.5673 59.2958 28.9894 178.3699 29 R 3.8941 8.2552 119.3051 59.1136 29.8709 178.6262 30 Q 3.7938 8.0659 118.4644 59.6521 29.4043 177.9471 31 Y 3.6128 7.9830 116.6382 59.7682 37.7572 178.2023 32 G 4.0459 8.1922 108.7514 47.2993 0.0000 175.7709 33 R 3.8830 7.8364 120.2249 58.5634 30.1809 177.1664 34 L 4.0378 7.4252 115.5879 55.4625 41.9080 177.4493 35 G 4.1174 8.2961 107.5555 44.5845 0.0000 173.8244 36 W 4.9276 7.8092 119.1736 56.7290 30.0170 175.6556 37 T 5.0902 9.0588 112.2437 60.1250 72.3939 172.7344 38 S 4.6499 8.6111 115.9717 58.3255 64.8224 174.3843 39 G 3.8018 8.9422 116.7259 44.7285 0.0000 171.5120 40 E 4.6412 8.1939 117.2590 54.1481 31.8320 175.8993 41 V 3.1251 7.9711 120.7901 62.0177 32.3484 174.4540 42 P 4.2858 0.0000 0.0000 61.5502 31.9989 175.7095 43 V 3.5840 8.1730 120.3398 64.4687 31.6447 176.1500 44 G 3.5414 8.9917 117.4083 46.5501 0.0000 172.7894 45 G 3.7733 7.7469 108.3281 44.0429 0.0000 172.8694 46 Y 4.1328 8.0498 117.4737 58.1090 38.8551 176.5924 47 Q 4.3301 7.8587 118.1934 54.6302 31.8108 174.6978 48 F 5.3445 8.1880 122.7254 54.4274 43.1100 173.3926 49 P 4.7867 0.0000 0.0000 64.0735 31.8793 178.3589 50 L 4.0355 9.3060 130.2108 60.2765 40.6387 178.5904 51 E 4.2891 8.1769 117.5924 61.0470 29.5914 180.5779 52 N 4.8719 8.1986 117.5278 55.7988 38.3666 177.7683 53 E 4.1468 7.9739 120.4307 60.3417 29.9685 182.4431 54 P 5.0262 0.0000 0.0000 63.9177 31.8356 176.2410 55 D 4.5736 7.7204 117.7566 52.1118 40.1998 174.0395 56 F 4.6512 8.2681 126.0455 55.6009 42.5018 175.3458 57 D 4.3494 7.0451 126.9236 52.9614 39.1249 176.6068 58 W 4.4371 8.3564 125.1921 58.6548 29.5273 177.1815 59 S 4.4306 8.1976 113.7014 60.5242 62.4721 176.0200 60 L 4.1801 8.1607 122.6646 56.4310 41.2009 177.4785 61 I 4.5805 7.4526 110.0793 60.2666 38.2691 175.5689 62 G 3.9221 8.7062 106.9131 46.3296 0.0000 173.1817 63 A 5.8111 8.4517 122.4255 49.7756 22.0730 177.6234 64 R 4.8386 8.3645 120.3980 55.4622 34.0184 176.7555 65 K 4.4994 8.7429 124.9994 55.0687 32.8959 175.2838 66 W 5.2870 8.3854 130.0454 57.1789 34.6606 172.8376 67 T 4.6981 6.8948 120.2695 61.8666 71.0174 175.0135 68 N 4.0611 10.3894 122.2655 51.1723 38.8478 172.7090 69 P 4.4614 0.0000 0.0000 61.0260 29.8527 174.3056 70 E 4.7515 6.8178 118.7200 57.1912 34.0285 176.4545 71 G 3.4140 8.5187 106.3831 47.2425 0.0000 173.8816 72 E 3.9849 7.5246 121.8025 56.4095 30.1877 175.2517 73 E 5.2762 8.1908 123.4591 53.8693 32.8197 175.3510 *75 I 4.0179 8.0096 121.1251 61.3426 39.0762 174.4039 76 L 5.4112 8.6859 126.9882 53.3063 44.3414 175.4356 77 H 5.0149 9.2573 122.8300 55.8940 32.9008 173.3498 78 R 4.1003 9.5977 125.8417 57.3758 27.5457 176.0215 79 G 3.9027 8.5141 100.6321 46.9543 0.0000 173.8081 80 H 4.9240 8.2290 113.8871 53.5579 33.0054 172.5501 81 A 5.2950 8.0952 123.2919 50.6807 21.5275 175.2644 82 Y 4.9242 8.8522 120.3045 56.8859 41.7672 175.8064 83 R 4.8219 8.4166 120.3675 54.7735 34.0091 175.6791 84 R 4.2949 8.7743 124.8933 56.9209 31.2980 176.7562 85 R 4.6657 8.5358 125.5117 55.2637 33.3252 172.7603 86 E 4.4796 9.0863 126.5100 54.7070 30.3566 179.7378 87 L 4.3130 7.9465 119.2514 54.6911 39.8511 182.5002 *90 V 4.0540 8.2190 109.4124 62.9505 31.7789 172.1238 91 D 5.1514 7.7367 124.7033 51.8845 45.0668 174.1534 92 S 5.2186 8.7080 120.3401 57.3408 64.9616 174.1370 93 R 5.1456 8.6533 124.0843 54.9054 33.4915 171.3939 94 K 5.1881 9.1476 122.7642 52.9660 34.5891 176.2122 *96 K 4.1560 8.6844 125.8987 57.2838 33.6413 175.1409 97 L 4.6516 7.8476 118.5725 51.7678 42.5360 173.6023 98 P 4.4092 0.0000 0.0000 61.6712 32.0793 175.7899 99 A 4.8490 8.1353 125.4513 50.4622 22.2277 175.5081 100 A 4.2882 8.4332 119.1655 51.4833 17.3111 181.4056 101 V 4.2153 7.1308 120.6937 60.6726 33.6870 175.7589 102 K 4.4677 8.1941 128.6143 54.6106 35.3018 172.1890 *103 Y 4.5360 7.9637 116.8160 57.8877 40.5631 172.8224 *108 K 4.3296 8.1866 118.0328 56.0007 33.1130 172.0358 109 N 5.3998 8.3229 115.6645 51.9262 40.6854 174.1089 110 T 4.1156 8.5584 117.4552 64.7524 68.6860 174.7353 111 D 5.2280 7.7443 119.9733 52.0146 44.6074 173.7988 112 P 5.3618 0.0000 0.0000 60.6764 35.5512 173.1134 113 E 5.4374 9.4079 126.0288 54.8437 32.0314 175.4518 *114 H 4.7964 9.0077 123.8771 55.8097 32.3198 172.4719 115 V 3.2207 9.1542 121.2097 61.0728 30.4146 173.2487 116 R 4.4922 8.6200 113.5454 58.1556 28.0983 172.2101 117 E 4.3892 8.2539 111.9066 56.4556 30.6292 177.5809 118 K 4.2647 8.1694 120.5184 55.2812 30.5373 175.1001 119 A 3.6659 8.1280 123.3718 53.8555 19.3053 178.0990 120 D 3.7407 8.3425 118.7567 55.3180 40.4558 174.8069 121 G 3.9967 8.0706 109.6852 45.7602 0.0000 175.5710 122 E 3.6313 7.4091 117.3426 58.7477 29.7130 177.9487 123 F 4.5696 8.0200 118.8588 58.2725 39.8265 176.1044 124 E 4.5838 9.0432 121.6294 55.7558 30.4414 182.7826 *125 Y 4.2271 8.1988 111.4122 58.2943 36.2917 174.0936 126 V 3.3600 7.7460 114.1431 64.1257 29.7664 173.8326 127 T 4.0851 7.9898 116.0201 61.1591 68.3122 176.4843 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 D 8.22 4.51 0.00 2.69 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 -2 P 0.00 4.00 0.00 1.29 1.81 0.00 3.40 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 -1 F 7.82 5.03 0.00 3.08 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 0 T 7.89 4.35 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 1.28 0.00 0.00 -1 L 7.68 4.75 0.00 1.56 1.50 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.16 4.73 0.00 3.29 3.15 0.00 7.57 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.82 4.37 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 1.29 1.00 0.00 0.00 5 E 8.62 4.59 0.00 1.96 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 2.20 2.31 0.00 6 F 9.08 5.24 0.00 3.13 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 7 I 8.94 4.73 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.85 0.00 0.00 8 T 8.06 3.20 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 1.00 0.00 0.00 9 D 8.27 4.58 0.00 2.86 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 10 L 7.80 4.46 0.00 1.57 1.65 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.42 3.81 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 0.00 0.00 0.00 12 A 7.32 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.45 4.41 0.00 1.73 1.73 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 14 V 8.33 4.41 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 1.10 0.00 0.00 0.79 0.00 0.00 15 T 8.67 4.99 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 16 V 8.62 4.35 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 1.01 0.00 0.00 0.68 0.00 0.00 17 D 8.86 4.93 0.00 2.64 2.60 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 18 V 8.04 4.36 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 0.96 0.00 0.00 19 E 9.20 4.03 0.00 1.97 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 2.30 2.31 0.00 20 S 7.54 4.98 0.00 3.98 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 21 A 8.36 4.04 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 22 D 8.11 4.56 0.00 2.84 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 23 K 7.91 4.47 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.41 7.81 24 L 7.68 3.95 0.00 1.76 1.68 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.93 4.05 0.00 1.74 1.71 0.97 1.15 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 26 D 8.06 4.33 0.00 2.87 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 27 V 7.70 3.71 2.31 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 1.18 0.00 0.00 1.07 0.00 0.00 28 Q 8.31 4.27 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 29 R 8.26 3.89 0.00 1.87 1.92 0.00 3.16 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 30 Q 8.07 3.79 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 1.90 2.21 0.00 31 Y 7.98 3.61 0.00 2.32 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 32 G 8.19 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 0.00 0.00 0.00 33 R 7.84 3.88 0.00 1.74 1.86 0.00 3.21 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 34 L 7.43 4.04 0.00 1.31 1.47 0.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.30 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 36 W 7.81 4.93 0.00 3.05 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 37 T 9.06 5.09 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 1.32 0.00 0.00 38 S 8.61 4.65 0.00 3.40 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 39 G 8.94 3.80 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 0.00 0.00 0.00 40 E 8.19 4.64 0.00 1.92 1.83 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 2.22 2.19 0.00 41 V 7.97 3.13 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 0.42 0.00 0.00 0.85 0.00 0.00 42 P 0.00 4.29 0.00 2.04 1.83 0.00 2.90 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 43 V 8.17 3.58 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 0.74 0.00 0.00 0.89 0.00 0.00 44 G 8.99 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 0.00 0.00 0.00 45 G 7.75 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 0.00 0.00 0.00 46 Y 8.05 4.13 0.00 2.36 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 0.00 0.00 0.00 47 Q 7.86 4.33 0.00 1.77 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 48 F 8.19 5.34 0.00 2.69 2.68 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 49 P 0.00 4.79 0.00 2.16 2.24 0.00 3.94 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 50 L 9.31 4.04 0.00 1.63 1.68 0.92 0.99 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 51 E 8.18 4.29 0.00 2.06 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 2.23 1.98 0.00 52 N 8.20 4.87 0.00 2.92 2.99 0.00 0.00 7.03 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 53 E 7.97 4.15 0.00 2.10 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 2.26 2.19 0.00 54 P 0.00 5.03 0.00 2.26 2.26 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 55 D 7.72 4.57 0.00 2.78 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 56 F 8.27 4.65 0.00 2.86 2.42 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 57 D 7.05 4.35 0.00 2.59 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 0.00 0.00 0.00 58 W 8.36 4.44 0.00 3.53 3.36 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 59 S 8.20 4.43 0.00 4.09 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 60 L 8.16 4.18 0.00 1.28 1.53 0.48 0.89 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 61 I 7.45 4.58 2.06 0.00 0.00 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 1.48 1.10 0.38 0.00 0.00 62 G 8.71 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 0.00 0.00 0.00 63 A 8.45 5.81 1.58 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 0.00 0.00 64 R 8.36 4.84 0.00 1.45 1.73 0.00 3.25 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 65 K 8.74 4.50 0.00 1.54 1.62 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 66 W 8.39 5.29 0.00 3.30 3.10 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 0.00 0.00 0.00 67 T 6.89 4.70 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 1.02 0.00 0.00 68 N 10.39 4.06 0.00 2.75 2.61 0.00 0.00 7.05 7.62 0.00 0.00 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 P 0.00 4.46 0.00 2.14 2.10 0.00 3.75 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 70 E 6.82 4.75 0.00 2.03 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 0.00 2.09 2.08 0.00 71 G 8.52 3.41 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 0.00 0.00 0.00 0.00 72 E 7.52 3.98 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 73 E 8.19 5.28 0.00 1.86 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 2.18 2.10 0.00 *75 I 8.01 4.02 1.63 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 0.74 0.41 0.39 0.00 0.00 76 L 8.69 5.41 0.00 1.53 1.49 0.36 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 H 9.26 5.01 0.00 3.18 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.60 4.10 0.00 2.04 1.96 0.00 3.51 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.61 0.00 79 G 8.51 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 80 H 8.23 4.92 0.00 3.50 2.90 0.00 5.58 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 81 A 8.10 5.29 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 82 Y 8.85 4.92 0.00 2.74 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 83 R 8.42 4.82 0.00 1.45 1.73 0.00 3.25 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 84 R 8.77 4.29 0.00 1.87 1.90 0.00 3.21 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 85 R 8.54 4.67 0.00 1.46 1.72 0.00 3.32 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 86 E 9.09 4.48 0.00 1.87 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 2.34 2.34 0.00 87 L 7.95 4.31 0.00 1.68 1.29 0.92 0.83 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 *90 V 8.22 4.05 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 0.86 0.00 0.00 0.93 0.00 0.00 91 D 7.74 5.15 0.00 2.29 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 92 S 8.71 5.22 0.00 3.76 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 93 R 8.65 5.15 0.00 1.46 1.73 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 94 K 9.15 5.19 0.00 1.76 1.78 0.00 2.12 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *96 K 8.68 4.16 0.00 1.53 1.13 0.00 1.27 0.00 0.00 1.10 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 L 7.85 4.65 0.00 1.68 1.48 0.92 0.85 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 98 P 0.00 4.41 0.00 2.02 2.01 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 99 A 8.14 4.85 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 0.00 100 A 8.43 4.29 1.26 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 0.00 0.00 101 V 7.13 4.22 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 0.68 0.00 0.00 0.93 0.00 0.00 102 K 8.19 4.47 0.00 1.72 1.57 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.97 7.81 *103 Y 7.96 4.54 0.00 2.28 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 0.00 0.00 0.00 0.00 *108 K 8.19 4.33 0.00 1.79 1.67 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 109 N 8.32 5.40 0.00 2.76 2.81 0.00 0.00 5.96 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 0.00 110 T 8.56 4.12 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 1.30 0.00 0.00 111 D 7.74 5.23 0.00 2.36 2.44 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 0.00 112 P 0.00 5.36 0.00 1.97 1.91 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 113 E 9.41 5.44 0.00 1.85 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 2.21 2.22 0.00 *114 H 9.01 4.80 0.00 2.65 2.77 0.00 7.33 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 9.15 3.22 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 0.63 0.00 0.00 0.93 0.00 0.00 116 R 8.62 4.49 0.00 2.01 1.92 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 117 E 8.25 4.39 0.00 1.98 1.76 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 2.23 1.86 0.00 118 K 8.17 4.26 0.00 1.71 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.44 7.81 119 A 8.13 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.34 3.74 0.00 2.56 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.07 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 0.00 0.00 0.00 122 E 7.41 3.63 0.00 2.12 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 1.83 1.91 0.00 123 F 8.02 4.57 0.00 2.92 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 0.00 124 E 9.04 4.58 0.00 1.73 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 2.24 2.12 0.00 *125 Y 8.20 4.23 0.00 2.33 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 0.00 0.00 0.00 0.00 126 V 7.75 3.36 2.05 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 0.69 0.00 0.00 0.89 0.00 0.00 127 T 7.99 4.09 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 * Residues marked with a * may have inaccurate shift predictions.