NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.6200 8.2114 120.3255 52.5796 41.5456 176.4623 9 G 3.7701 8.2628 107.6104 46.7169 0.0000 174.3725 10 K 4.1534 8.7384 127.4696 59.5595 32.1951 182.8747 11 Q 4.1198 9.2053 118.7945 59.2968 28.5021 177.9496 12 Y 3.6368 7.7780 122.5137 60.9536 38.6576 177.8270 13 E 3.5940 7.8190 118.4004 61.5300 29.8906 181.3568 14 S 4.4205 7.8968 114.5670 60.0707 62.8233 175.1907 15 V 4.0578 7.5771 118.2790 64.2838 32.7223 177.2710 16 L 3.8120 7.3939 119.0855 58.4719 41.9879 178.7090 17 M 3.6647 7.9678 118.8790 58.2839 32.0253 178.1839 18 V 3.4393 7.1547 117.4542 66.0350 31.5956 178.2419 19 S 3.9564 7.7475 114.8204 61.2672 62.6676 176.5252 20 I 3.6244 7.5551 122.0121 64.5555 36.9372 177.9927 21 D 4.2809 8.1446 119.6790 57.3877 40.4170 178.6410 22 Q 3.8945 7.5627 118.5539 58.9992 29.4034 178.0281 23 L 3.9917 7.7600 119.8741 57.9512 41.6087 179.5810 24 L 4.0479 8.0426 118.7190 57.8813 41.2242 179.4270 25 D 4.4524 7.9404 118.5925 56.7857 40.8405 177.8410 26 S 4.6539 7.8152 111.7853 58.9696 63.1482 174.2294 27 M 4.8622 7.6479 121.5295 55.1448 32.9917 177.3773 28 K 3.8520 8.3066 122.1231 59.5848 33.3926 178.6660 29 E 4.0653 8.2849 117.9066 59.0825 29.9362 182.9516 30 I 4.1485 6.9274 115.9647 59.0574 35.6965 176.6752 31 G 4.2102 8.6166 111.3860 48.6171 0.0000 178.2734 32 S 4.2970 7.8534 122.2574 56.7504 61.4000 177.5184 33 N 4.8915 7.9362 115.8435 53.3817 42.9788 175.5296 34 C 4.7270 7.7924 113.7070 54.7697 43.5410 173.7644 35 L 4.0235 8.3975 120.6033 54.7187 39.9132 177.7530 36 N 4.4646 8.9521 123.6179 55.2732 38.7501 174.7656 37 N 3.9648 7.8766 115.3913 52.1404 36.3832 173.4820 38 E 3.9701 8.6792 123.2392 56.1775 30.2593 177.1259 39 F 4.5506 9.8324 124.3575 57.1906 40.0668 176.0469 40 N 4.4446 9.0215 120.1283 56.4560 38.1628 177.2574 41 F 4.1618 8.4660 121.7578 61.6353 39.1551 176.9886 42 F 4.7150 7.8973 115.6461 59.9076 38.8746 177.7866 43 K 4.2940 8.2000 120.0356 59.9405 32.0957 179.5217 44 R 4.2878 8.2282 120.2027 58.9817 29.5568 178.1946 45 H 5.0674 7.9371 115.9631 54.0914 30.5162 173.3217 46 I 4.3634 8.1702 124.6369 59.5920 40.4413 176.8675 47 C 4.3217 7.5962 124.0019 55.2752 41.9106 173.2174 48 D 4.4768 7.5966 120.8740 53.4248 41.7174 176.5080 49 A 3.8379 8.5646 123.3494 53.8396 18.9716 177.9410 50 N 4.5331 9.0965 119.7053 52.2056 36.0155 174.1613 51 K 4.6256 7.1083 118.6043 53.2052 35.0992 177.9324 52 E 4.2094 7.9135 122.1888 60.3000 29.2920 179.1592 53 G 3.7569 8.2060 107.7797 48.9106 0.0000 175.8733 54 M 4.0700 8.0667 122.5357 59.3187 31.2744 180.0917 55 F 4.3092 7.8121 120.1581 61.2339 39.6483 177.3301 56 L 3.7847 8.0022 118.6764 57.5854 41.3455 179.0247 57 F 3.8104 8.1764 120.5553 61.3568 39.2303 176.9747 58 R 3.9855 8.1317 117.5523 59.6790 29.9719 178.1747 59 A 3.8921 8.3103 120.4446 55.2075 17.9983 179.4598 60 A 3.9028 8.1195 118.7052 55.2761 18.8458 179.8855 61 R 3.9478 7.8764 116.5334 59.3207 30.3461 178.9852 62 K 3.8454 8.2751 119.6870 59.5107 31.9123 178.4473 63 L 4.0367 7.7614 119.1780 58.1843 41.5597 179.7015 64 R 4.0090 7.9407 117.0803 59.2874 29.9447 178.4899 65 Q 4.1591 8.1438 115.7180 57.2392 28.3196 177.2620 66 F 4.7310 8.2105 117.9776 56.9458 39.6597 175.2569 67 L 4.5489 8.2474 125.2508 54.4575 42.1069 177.4395 68 K 4.3061 9.2772 128.6460 54.5347 32.5725 174.1387 69 M 4.0229 8.8446 124.1264 58.3811 31.7721 177.5792 70 N 4.8199 7.7663 116.2924 51.6655 36.2907 178.7982 71 S 4.5508 7.6134 121.8989 58.7816 61.5108 177.0439 72 T 4.4217 7.3429 113.3166 60.2486 68.5839 172.3472 73 G 4.2133 8.4169 116.0764 43.9743 0.0000 171.6902 74 D 4.3368 8.2338 124.1479 57.3506 40.9369 179.1634 75 F 3.9223 8.4714 120.2948 61.9428 39.2582 176.8308 76 D 4.5137 8.3468 117.5827 57.3109 40.6623 178.7772 77 L 3.9593 8.2355 119.8754 58.1006 41.5840 179.2272 78 H 4.1969 8.4093 116.5116 58.7002 28.7011 177.8808 79 L 3.8469 7.7623 120.7658 57.7054 41.4375 179.5240 80 L 3.9871 8.1470 119.1558 57.7047 41.5885 179.7068 81 K 3.8988 8.3890 118.7583 59.4545 31.9391 179.3831 82 V 3.5961 7.8599 118.6860 65.9525 31.3127 178.1147 83 S 4.1881 7.8855 113.1127 61.3938 63.4168 176.3021 84 E 4.0081 8.3745 122.7047 58.4927 28.8399 179.7948 85 G 3.4956 7.9572 105.2762 48.1628 0.0000 175.4596 86 T 4.3880 8.2396 119.4570 66.8330 68.4374 176.2779 87 T 3.7211 8.1787 117.4986 67.0562 68.3323 176.5032 88 I 3.7329 7.6329 120.7671 64.1715 37.2449 177.8730 89 L 4.3631 7.6794 117.8591 56.0247 41.7887 176.7106 90 L 4.0429 8.4656 120.7500 55.9564 42.6162 177.4493 *123 K 3.9478 8.2863 133.2442 54.8679 33.0489 178.9902 124 K 4.3438 8.3480 126.2292 53.5214 32.3911 173.4221 125 L 4.7274 7.9329 120.1845 53.0151 44.7879 176.5824 126 N 4.9053 8.3329 115.8952 52.2242 40.8950 174.7608 127 D 4.5691 8.0951 118.2883 54.0921 42.0810 176.4463 128 L 4.2725 8.7323 127.8208 57.5125 41.7815 180.0553 129 C 4.4140 8.4759 116.8007 59.9838 40.2282 175.5825 130 F 3.5788 8.2013 120.9495 60.7855 38.8769 176.9695 131 L 3.2170 7.7814 119.8737 57.7808 41.9624 178.6454 132 K 3.7746 8.3777 119.8490 59.7975 32.1097 178.6406 133 R 4.1665 7.9354 119.8031 58.2189 29.9127 178.2490 134 L 4.0834 7.7136 120.8543 58.0289 41.9769 178.8547 135 L 3.9820 8.0870 119.3370 57.8892 41.0233 179.4075 136 Q 4.0002 7.9211 117.7250 59.1582 28.6179 178.7879 137 E 4.0391 8.4102 120.1538 59.2007 29.6811 178.9144 138 I 3.9570 8.0597 120.1450 64.1454 37.1890 178.2117 139 K 4.2126 8.4618 120.6048 60.0780 32.2392 178.8918 140 T 3.9007 8.0457 115.9332 66.8621 68.3830 175.7781 141 C 4.1933 8.5069 120.4756 59.4435 44.6811 175.6764 142 W 3.7514 8.2089 120.5672 59.5014 28.4005 178.1317 143 N 4.3866 8.2666 116.5533 56.3487 37.7894 177.3141 144 K 3.8941 7.6583 117.8456 59.6647 32.2842 178.7789 145 I 3.7945 7.3482 118.7088 65.5679 37.3090 177.5011 146 L 4.3396 8.4367 122.5824 57.7089 41.0682 179.3665 147 M 4.5435 8.6430 118.7319 57.5489 31.5615 179.0202 148 G 4.3109 8.4753 108.9007 46.7935 0.0000 174.5901 149 T 4.1352 7.7196 117.1729 61.1934 69.2246 177.6278 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 8 D 8.21 4.62 0.00 2.88 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 9 G 8.26 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 10 K 8.74 4.15 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.10 7.81 11 Q 9.21 4.12 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 12 Y 7.78 3.64 0.00 1.89 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 13 E 7.82 3.59 0.00 2.12 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 2.27 2.26 0.00 14 S 7.90 4.42 0.00 3.84 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 15 V 7.58 4.06 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 0.96 0.00 0.00 0.86 0.00 0.00 16 L 7.39 3.81 0.00 1.55 1.31 0.91 0.68 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 17 M 7.97 3.66 0.00 1.67 0.63 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 18 V 7.15 3.44 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 0.91 0.00 0.00 0.85 0.00 0.00 19 S 7.75 3.96 0.00 3.90 3.85 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 20 I 7.56 3.62 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.75 0.94 0.00 0.00 21 D 8.14 4.28 0.00 2.59 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 22 Q 7.56 3.89 0.00 2.03 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 23 L 7.76 3.99 0.00 1.81 1.51 0.73 -0.35 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 24 L 8.04 4.05 0.00 1.81 1.72 0.92 1.08 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 25 D 7.94 4.45 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 26 S 7.82 4.65 0.00 4.19 4.08 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 27 M 7.65 4.86 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 28 K 8.31 3.85 0.00 2.13 1.95 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.00 7.81 29 E 8.28 4.07 0.00 2.01 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 1.87 0.00 30 I 6.93 4.15 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 1.23 1.10 1.00 0.00 0.00 31 G 8.62 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 0.00 0.00 0.00 0.00 32 S 7.85 4.30 0.00 3.64 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 33 N 7.94 4.89 0.00 2.69 2.67 0.00 0.00 6.89 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 34 C 7.79 4.73 0.00 3.20 3.20 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 35 L 8.40 4.02 0.00 1.68 1.58 0.92 0.94 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 36 N 8.95 4.46 0.00 2.70 2.92 0.00 0.00 7.16 8.00 0.00 0.00 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 N 7.88 3.96 0.00 3.04 2.83 0.00 0.00 5.92 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 38 E 8.68 3.97 0.00 2.31 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 0.00 2.30 1.96 0.00 39 F 9.83 4.55 0.00 3.54 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 40 N 9.02 4.44 0.00 2.83 2.94 0.00 0.00 6.47 8.13 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 41 F 8.47 4.16 0.00 3.03 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 42 F 7.90 4.72 0.00 3.24 3.15 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 43 K 8.20 4.29 0.00 1.92 1.91 0.00 2.02 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.55 1.91 7.81 44 R 8.23 4.29 0.00 1.88 1.84 0.00 3.21 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 45 H 7.94 5.07 0.00 2.58 3.15 0.00 5.76 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 46 I 8.17 4.36 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.77 0.00 0.00 47 C 7.60 4.32 0.00 1.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.60 4.48 0.00 2.66 2.54 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 49 A 8.56 3.84 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 50 N 9.10 4.53 0.00 2.77 2.78 0.00 0.00 7.03 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 51 K 7.11 4.63 0.00 1.63 1.70 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.19 0.85 7.81 52 E 7.91 4.21 0.00 1.95 1.89 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 2.30 2.35 0.00 53 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 54 M 8.07 4.07 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.18 0.00 55 F 7.81 4.31 0.00 3.25 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 56 L 8.00 3.78 0.00 1.54 1.46 -0.57 0.57 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 57 F 8.18 3.81 0.00 3.25 3.17 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 0.00 0.00 0.00 58 R 8.13 3.99 0.00 2.23 1.95 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 59 A 8.31 3.89 0.98 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 0.00 0.00 0.00 0.00 0.00 60 A 8.12 3.90 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 61 R 7.88 3.95 0.00 2.16 2.00 0.00 3.26 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 1.50 0.00 62 K 8.28 3.85 0.00 1.73 1.74 0.00 1.66 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.84 1.59 7.81 63 L 7.76 4.04 0.00 1.95 1.71 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.94 4.01 0.00 2.02 2.01 0.00 3.13 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 65 Q 8.14 4.16 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 66 F 8.21 4.73 0.00 3.17 3.22 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 67 L 8.25 4.55 0.00 1.73 1.65 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 68 K 9.28 4.31 0.00 1.76 1.58 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.25 7.81 69 M 8.84 4.02 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.16 0.00 70 N 7.77 4.82 0.00 2.74 2.68 0.00 0.00 6.68 7.64 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 71 S 7.61 4.55 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.34 4.42 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 1.27 0.00 0.00 73 G 8.42 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 0.00 0.00 0.00 0.00 74 D 8.23 4.34 0.00 2.77 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 75 F 8.47 3.92 0.00 3.20 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 76 D 8.35 4.51 0.00 2.89 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 8.24 3.96 0.00 1.86 1.62 0.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.41 4.20 0.00 3.10 3.13 0.00 5.62 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 79 L 7.76 3.85 0.00 1.83 1.68 1.07 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.15 3.99 0.00 1.89 1.70 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.39 3.90 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 82 V 7.86 3.60 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 1.18 0.00 0.00 0.90 0.00 0.00 83 S 7.89 4.19 0.00 4.19 4.08 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 84 E 8.37 4.01 0.00 2.15 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 2.31 2.31 0.00 85 G 7.96 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 4.39 4.34 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 1.50 0.00 0.00 87 T 8.18 3.72 4.42 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 1.11 0.00 0.00 88 I 7.63 3.73 1.89 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 1.74 0.74 0.93 0.00 0.00 89 L 7.68 4.36 0.00 2.08 1.97 0.92 1.33 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 90 L 8.47 4.04 0.00 1.70 1.59 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 *123 K 8.29 3.95 0.00 1.80 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 124 K 8.35 4.34 0.00 1.77 1.63 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 125 L 7.93 4.73 0.00 0.27 0.98 0.57 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.33 4.91 0.00 2.64 2.81 0.00 0.00 6.92 8.06 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 0.00 127 D 8.10 4.57 0.00 2.93 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 0.00 128 L 8.73 4.27 0.00 1.81 1.78 0.91 1.07 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 0.00 129 C 8.48 4.41 0.00 3.67 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 3.58 0.00 2.71 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 0.00 131 L 7.78 3.22 0.00 1.08 1.65 -0.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.38 3.77 0.00 1.89 2.00 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 133 R 7.94 4.17 0.00 1.90 1.76 0.00 3.13 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 0.00 134 L 7.71 4.08 0.00 1.09 1.40 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.09 3.98 0.00 1.64 1.67 0.80 0.81 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 0.00 136 Q 7.92 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 137 E 8.41 4.04 0.00 2.44 2.46 0.00 0.00 0.00 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 2.33 0.00 138 I 8.06 3.96 2.19 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 1.46 1.04 1.23 0.00 0.00 139 K 8.46 4.21 0.00 2.07 2.05 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.73 7.81 140 T 8.05 3.90 4.34 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 1.18 0.00 0.00 141 C 8.51 4.19 0.00 3.18 3.15 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 0.00 142 W 8.21 3.75 0.00 3.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.39 0.00 3.09 2.90 0.00 0.00 6.99 7.28 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 0.00 144 K 7.66 3.89 0.00 2.12 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.36 7.81 145 I 7.35 3.79 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 0.47 0.91 0.00 0.00 146 L 8.44 4.34 0.00 2.03 1.65 1.03 1.04 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 0.00 147 M 8.64 4.54 0.00 2.09 1.95 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 2.55 2.43 0.00 148 G 8.48 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 0.00 149 T 7.72 4.14 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.